# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/e0f8b541-15ae-49aa-a9aa-d3867f241100/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 RbNdO2 / R-3m (166) / materials id 7973](https://mdr.nims.go.jp/datasets/70b3b3ac-1170-4667-9289-caa4e47f74e1) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 22:38:33]-------------------------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 1.814070120794024 1.047353872569284 6.523658779999994 b -1.814070120794020 1.047353872569284 6.523658779999994 c 0.000000000000002 -2.094707745138571 6.523658779999994Atomic positions (fractional): *1 O 0.22703761380583 0.22703761380583 0.22703761380583 15.999 2 O 0.77296238619417 0.77296238619417 0.77296238619417 15.999 *3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 *4 Nd 0.50000000000000 0.50000000000000 0.50000000000000 144.242-------------------------------- unit cell ---------------------------------Lattice vectors: a 3.628140241588043 0.000000000000000 0.000000000000000 b -1.814070120794022 3.142061617707856 0.000000000000000 c 0.000000000000000 0.000000000000000 19.570976340000001Atomic positions (fractional): *1 O 0.00000000000000 0.00000000000000 0.22703761380583 15.999 > 1 2 O 0.66666666666667 0.33333333333333 0.10629571952750 15.999 > 2 3 O 0.66666666666667 0.33333333333333 0.56037094713917 15.999 > 1 4 O 0.33333333333333 0.66666666666667 0.43962905286083 15.999 > 2 5 O 0.33333333333333 0.66666666666667 0.89370428047250 15.999 > 1 6 O 0.00000000000000 0.00000000000000 0.77296238619417 15.999 > 2 *7 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 8 Rb 0.66666666666667 0.33333333333333 0.33333333333333 85.468 > 3 9 Rb 0.33333333333333 0.66666666666667 0.66666666666667 85.468 > 3 *10 Nd 0.33333333333333 0.66666666666667 0.16666666666667 144.242 > 4 11 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 > 4 12 Nd 0.66666666666667 0.33333333333333 0.83333333333333 144.242 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 10.884420724764130 0.000000000000000 0.000000000000000 b -5.442210362382066 9.426184853123567 0.000000000000000 c 0.000000000000000 0.000000000000000 19.570976340000001Atomic positions (fractional): *1 O 0.00000000000000 0.00000000000000 0.22703761380583 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.22703761380583 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.22703761380583 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.22703761380583 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.22703761380583 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.22703761380583 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.22703761380583 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.22703761380583 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.22703761380583 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.10629571952750 15.999 > 2 11 O 0.55555555555556 0.11111111111111 0.10629571952750 15.999 > 2 12 O 0.88888888888889 0.11111111111111 0.10629571952750 15.999 > 2 13 O 0.22222222222222 0.44444444444444 0.10629571952750 15.999 > 2 14 O 0.55555555555556 0.44444444444444 0.10629571952750 15.999 > 2 15 O 0.88888888888889 0.44444444444444 0.10629571952750 15.999 > 2 16 O 0.22222222222222 0.77777777777778 0.10629571952750 15.999 > 2 17 O 0.55555555555556 0.77777777777778 0.10629571952750 15.999 > 2 18 O 0.88888888888889 0.77777777777778 0.10629571952750 15.999 > 2 19 O 0.22222222222222 0.11111111111111 0.56037094713917 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.56037094713917 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.56037094713917 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.56037094713917 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.56037094713917 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.56037094713917 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.56037094713917 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.56037094713917 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.56037094713917 15.999 > 1 28 O 0.11111111111111 0.22222222222222 0.43962905286083 15.999 > 2 29 O 0.44444444444444 0.22222222222222 0.43962905286083 15.999 > 2 30 O 0.77777777777778 0.22222222222222 0.43962905286083 15.999 > 2 31 O 0.11111111111111 0.55555555555556 0.43962905286083 15.999 > 2 32 O 0.44444444444444 0.55555555555556 0.43962905286083 15.999 > 2 33 O 0.77777777777778 0.55555555555556 0.43962905286083 15.999 > 2 34 O 0.11111111111111 0.88888888888889 0.43962905286083 15.999 > 2 35 O 0.44444444444444 0.88888888888889 0.43962905286083 15.999 > 2 36 O 0.77777777777778 0.88888888888889 0.43962905286083 15.999 > 2 37 O 0.11111111111111 0.22222222222222 0.89370428047250 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.89370428047250 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.89370428047250 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.89370428047250 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.89370428047250 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.89370428047250 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.89370428047250 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.89370428047250 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.89370428047250 15.999 > 1 46 O 0.00000000000000 0.00000000000000 0.77296238619417 15.999 > 2 47 O 0.33333333333333 0.00000000000000 0.77296238619417 15.999 > 2 48 O 0.66666666666667 0.00000000000000 0.77296238619417 15.999 > 2 49 O 0.00000000000000 0.33333333333333 0.77296238619417 15.999 > 2 50 O 0.33333333333333 0.33333333333333 0.77296238619417 15.999 > 2 51 O 0.66666666666667 0.33333333333333 0.77296238619417 15.999 > 2 52 O 0.00000000000000 0.66666666666667 0.77296238619417 15.999 > 2 53 O 0.33333333333333 0.66666666666667 0.77296238619417 15.999 > 2 54 O 0.66666666666667 0.66666666666667 0.77296238619417 15.999 > 2 *55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 3 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 3 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 3 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 3 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 3 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 3 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 3 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 3 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 3 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 3 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 3 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 3 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 3 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 3 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 3 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 3 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 3 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 3 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 3 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 3 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 3 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 3 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 3 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 3 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 3 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 3 *82 Nd 0.11111111111111 0.22222222222222 0.16666666666667 144.242 > 4 83 Nd 0.44444444444444 0.22222222222222 0.16666666666667 144.242 > 4 84 Nd 0.77777777777778 0.22222222222222 0.16666666666667 144.242 > 4 85 Nd 0.11111111111111 0.55555555555556 0.16666666666667 144.242 > 4 86 Nd 0.44444444444444 0.55555555555556 0.16666666666667 144.242 > 4 87 Nd 0.77777777777778 0.55555555555556 0.16666666666667 144.242 > 4 88 Nd 0.11111111111111 0.88888888888889 0.16666666666667 144.242 > 4 89 Nd 0.44444444444444 0.88888888888889 0.16666666666667 144.242 > 4 90 Nd 0.77777777777778 0.88888888888889 0.16666666666667 144.242 > 4 91 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 > 4 92 Nd 0.33333333333333 0.00000000000000 0.50000000000000 144.242 > 4 93 Nd 0.66666666666667 0.00000000000000 0.50000000000000 144.242 > 4 94 Nd 0.00000000000000 0.33333333333333 0.50000000000000 144.242 > 4 95 Nd 0.33333333333333 0.33333333333333 0.50000000000000 144.242 > 4 96 Nd 0.66666666666667 0.33333333333333 0.50000000000000 144.242 > 4 97 Nd 0.00000000000000 0.66666666666667 0.50000000000000 144.242 > 4 98 Nd 0.33333333333333 0.66666666666667 0.50000000000000 144.242 > 4 99 Nd 0.66666666666667 0.66666666666667 0.50000000000000 144.242 > 4 100 Nd 0.22222222222222 0.11111111111111 0.83333333333333 144.242 > 4 101 Nd 0.55555555555556 0.11111111111111 0.83333333333333 144.242 > 4 102 Nd 0.88888888888889 0.11111111111111 0.83333333333333 144.242 > 4 103 Nd 0.22222222222222 0.44444444444444 0.83333333333333 144.242 > 4 104 Nd 0.55555555555556 0.44444444444444 0.83333333333333 144.242 > 4 105 Nd 0.88888888888889 0.44444444444444 0.83333333333333 144.242 > 4 106 Nd 0.22222222222222 0.77777777777778 0.83333333333333 144.242 > 4 107 Nd 0.55555555555556 0.77777777777778 0.83333333333333 144.242 > 4 108 Nd 0.88888888888889 0.77777777777778 0.83333333333333 144.242 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.1274881 0.0000000 0.0000000 0.0000000 4.1274881 0.0000000 0.0000000 0.0000000 3.5176116-------------------------- Born effective charges -------------------------- 1 O -2.7769649 0.0000000 0.0000000 0.0000000 -2.7769649 0.0000000 0.0000000 0.0000000 -2.1111204 2 O -2.7769649 0.0000000 0.0000000 0.0000000 -2.7769649 0.0000000 0.0000000 0.0000000 -2.1111204 3 Rb 1.0786930 0.0000000 0.0000000 0.0000000 1.0786930 0.0000000 0.0000000 0.0000000 1.6761295 4 Nd 4.4752369 0.0000000 0.0000000 0.0000000 4.4752369 0.0000000 0.0000000 0.0000000 2.5461114----------------------------------------------------------------------------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: 192Finding 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: 0.168Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.184--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) 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: 192Finding 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 2026-01-07 22:38:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 22:38:38]-------------------------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 1.814070120794024 1.047353872569284 6.523658779999994 b -1.814070120794020 1.047353872569284 6.523658779999994 c 0.000000000000002 -2.094707745138571 6.523658779999994Atomic positions (fractional): 1 O 0.22703761380583 0.22703761380583 0.22703761380583 15.999 2 O 0.77296238619417 0.77296238619417 0.77296238619417 15.999 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Nd 0.50000000000000 0.50000000000000 0.50000000000000 144.242-------------------------------- supercell ---------------------------------Lattice vectors: a 10.884420724764130 0.000000000000000 0.000000000000000 b -5.442210362382066 9.426184853123567 0.000000000000000 c 0.000000000000000 0.000000000000000 19.570976340000001Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.22703761380583 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.22703761380583 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.22703761380583 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.22703761380583 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.22703761380583 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.22703761380583 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.22703761380583 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.22703761380583 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.22703761380583 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.10629571952750 15.999 > 10 11 O 0.55555555555556 0.11111111111111 0.10629571952750 15.999 > 10 12 O 0.88888888888889 0.11111111111111 0.10629571952750 15.999 > 10 13 O 0.22222222222222 0.44444444444444 0.10629571952750 15.999 > 10 14 O 0.55555555555556 0.44444444444444 0.10629571952750 15.999 > 10 15 O 0.88888888888889 0.44444444444444 0.10629571952750 15.999 > 10 16 O 0.22222222222222 0.77777777777778 0.10629571952750 15.999 > 10 17 O 0.55555555555556 0.77777777777778 0.10629571952750 15.999 > 10 18 O 0.88888888888889 0.77777777777778 0.10629571952750 15.999 > 10 19 O 0.22222222222222 0.11111111111111 0.56037094713917 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.56037094713917 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.56037094713917 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.56037094713917 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.56037094713917 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.56037094713917 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.56037094713917 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.56037094713917 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.56037094713917 15.999 > 1 28 O 0.11111111111111 0.22222222222222 0.43962905286083 15.999 > 10 29 O 0.44444444444444 0.22222222222222 0.43962905286083 15.999 > 10 30 O 0.77777777777778 0.22222222222222 0.43962905286083 15.999 > 10 31 O 0.11111111111111 0.55555555555556 0.43962905286083 15.999 > 10 32 O 0.44444444444444 0.55555555555556 0.43962905286083 15.999 > 10 33 O 0.77777777777778 0.55555555555556 0.43962905286083 15.999 > 10 34 O 0.11111111111111 0.88888888888889 0.43962905286083 15.999 > 10 35 O 0.44444444444444 0.88888888888889 0.43962905286083 15.999 > 10 36 O 0.77777777777778 0.88888888888889 0.43962905286083 15.999 > 10 37 O 0.11111111111111 0.22222222222222 0.89370428047250 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.89370428047250 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.89370428047250 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.89370428047250 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.89370428047250 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.89370428047250 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.89370428047250 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.89370428047250 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.89370428047250 15.999 > 1 46 O 0.00000000000000 0.00000000000000 0.77296238619417 15.999 > 10 47 O 0.33333333333333 0.00000000000000 0.77296238619417 15.999 > 10 48 O 0.66666666666667 0.00000000000000 0.77296238619417 15.999 > 10 49 O 0.00000000000000 0.33333333333333 0.77296238619417 15.999 > 10 50 O 0.33333333333333 0.33333333333333 0.77296238619417 15.999 > 10 51 O 0.66666666666667 0.33333333333333 0.77296238619417 15.999 > 10 52 O 0.00000000000000 0.66666666666667 0.77296238619417 15.999 > 10 53 O 0.33333333333333 0.66666666666667 0.77296238619417 15.999 > 10 54 O 0.66666666666667 0.66666666666667 0.77296238619417 15.999 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Nd 0.11111111111111 0.22222222222222 0.16666666666667 144.242 > 82 83 Nd 0.44444444444444 0.22222222222222 0.16666666666667 144.242 > 82 84 Nd 0.77777777777778 0.22222222222222 0.16666666666667 144.242 > 82 85 Nd 0.11111111111111 0.55555555555556 0.16666666666667 144.242 > 82 86 Nd 0.44444444444444 0.55555555555556 0.16666666666667 144.242 > 82 87 Nd 0.77777777777778 0.55555555555556 0.16666666666667 144.242 > 82 88 Nd 0.11111111111111 0.88888888888889 0.16666666666667 144.242 > 82 89 Nd 0.44444444444444 0.88888888888889 0.16666666666667 144.242 > 82 90 Nd 0.77777777777778 0.88888888888889 0.16666666666667 144.242 > 82 91 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 > 82 92 Nd 0.33333333333333 0.00000000000000 0.50000000000000 144.242 > 82 93 Nd 0.66666666666667 0.00000000000000 0.50000000000000 144.242 > 82 94 Nd 0.00000000000000 0.33333333333333 0.50000000000000 144.242 > 82 95 Nd 0.33333333333333 0.33333333333333 0.50000000000000 144.242 > 82 96 Nd 0.66666666666667 0.33333333333333 0.50000000000000 144.242 > 82 97 Nd 0.00000000000000 0.66666666666667 0.50000000000000 144.242 > 82 98 Nd 0.33333333333333 0.66666666666667 0.50000000000000 144.242 > 82 99 Nd 0.66666666666667 0.66666666666667 0.50000000000000 144.242 > 82 100 Nd 0.22222222222222 0.11111111111111 0.83333333333333 144.242 > 82 101 Nd 0.55555555555556 0.11111111111111 0.83333333333333 144.242 > 82 102 Nd 0.88888888888889 0.11111111111111 0.83333333333333 144.242 > 82 103 Nd 0.22222222222222 0.44444444444444 0.83333333333333 144.242 > 82 104 Nd 0.55555555555556 0.44444444444444 0.83333333333333 144.242 > 82 105 Nd 0.88888888888889 0.44444444444444 0.83333333333333 144.242 > 82 106 Nd 0.22222222222222 0.77777777777778 0.83333333333333 144.242 > 82 107 Nd 0.55555555555556 0.77777777777778 0.83333333333333 144.242 > 82 108 Nd 0.88888888888889 0.77777777777778 0.83333333333333 144.242 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.1274881 0.0000000 0.0000000 0.0000000 4.1274881 0.0000000 0.0000000 0.0000000 3.5176116-------------------------- Born effective charges -------------------------- 1 O -2.7769649 0.0000000 0.0000000 0.0000000 -2.7769649 0.0000000 0.0000000 0.0000000 -2.1111204 2 O -2.7769649 0.0000000 0.0000000 0.0000000 -2.7769649 0.0000000 0.0000000 0.0000000 -2.1111204 3 Rb 1.0786930 0.0000000 0.0000000 0.0000000 1.0786930 0.0000000 0.0000000 0.0000000 1.6761295 4 Nd 4.4752369 0.0000000 0.0000000 0.0000000 4.4752369 0.0000000 0.0000000 0.0000000 2.5461114----------------------------------------------------------------------------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[ 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]Computing fc3[ 82, 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 (xxx) 0.00000000 (xxx) 0.00000000 (xxx)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 22:38:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 22:38:43]-------------------------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 1.814070120794024 1.047353872569284 6.523658779999994 b -1.814070120794020 1.047353872569284 6.523658779999994 c 0.000000000000002 -2.094707745138571 6.523658779999994Atomic positions (fractional): 1 O 0.22703761380583 0.22703761380583 0.22703761380583 15.999 2 O 0.77296238619417 0.77296238619417 0.77296238619417 15.999 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Nd 0.50000000000000 0.50000000000000 0.50000000000000 144.242-------------------------------- supercell ---------------------------------Lattice vectors: a 10.884420724764130 0.000000000000000 0.000000000000000 b -5.442210362382066 9.426184853123567 0.000000000000000 c 0.000000000000000 0.000000000000000 19.570976340000001Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.22703761380583 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.22703761380583 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.22703761380583 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.22703761380583 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.22703761380583 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.22703761380583 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.22703761380583 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.22703761380583 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.22703761380583 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.10629571952750 15.999 > 10 11 O 0.55555555555556 0.11111111111111 0.10629571952750 15.999 > 10 12 O 0.88888888888889 0.11111111111111 0.10629571952750 15.999 > 10 13 O 0.22222222222222 0.44444444444444 0.10629571952750 15.999 > 10 14 O 0.55555555555556 0.44444444444444 0.10629571952750 15.999 > 10 15 O 0.88888888888889 0.44444444444444 0.10629571952750 15.999 > 10 16 O 0.22222222222222 0.77777777777778 0.10629571952750 15.999 > 10 17 O 0.55555555555556 0.77777777777778 0.10629571952750 15.999 > 10 18 O 0.88888888888889 0.77777777777778 0.10629571952750 15.999 > 10 19 O 0.22222222222222 0.11111111111111 0.56037094713917 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.56037094713917 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.56037094713917 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.56037094713917 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.56037094713917 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.56037094713917 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.56037094713917 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.56037094713917 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.56037094713917 15.999 > 1 28 O 0.11111111111111 0.22222222222222 0.43962905286083 15.999 > 10 29 O 0.44444444444444 0.22222222222222 0.43962905286083 15.999 > 10 30 O 0.77777777777778 0.22222222222222 0.43962905286083 15.999 > 10 31 O 0.11111111111111 0.55555555555556 0.43962905286083 15.999 > 10 32 O 0.44444444444444 0.55555555555556 0.43962905286083 15.999 > 10 33 O 0.77777777777778 0.55555555555556 0.43962905286083 15.999 > 10 34 O 0.11111111111111 0.88888888888889 0.43962905286083 15.999 > 10 35 O 0.44444444444444 0.88888888888889 0.43962905286083 15.999 > 10 36 O 0.77777777777778 0.88888888888889 0.43962905286083 15.999 > 10 37 O 0.11111111111111 0.22222222222222 0.89370428047250 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.89370428047250 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.89370428047250 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.89370428047250 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.89370428047250 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.89370428047250 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.89370428047250 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.89370428047250 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.89370428047250 15.999 > 1 46 O 0.00000000000000 0.00000000000000 0.77296238619417 15.999 > 10 47 O 0.33333333333333 0.00000000000000 0.77296238619417 15.999 > 10 48 O 0.66666666666667 0.00000000000000 0.77296238619417 15.999 > 10 49 O 0.00000000000000 0.33333333333333 0.77296238619417 15.999 > 10 50 O 0.33333333333333 0.33333333333333 0.77296238619417 15.999 > 10 51 O 0.66666666666667 0.33333333333333 0.77296238619417 15.999 > 10 52 O 0.00000000000000 0.66666666666667 0.77296238619417 15.999 > 10 53 O 0.33333333333333 0.66666666666667 0.77296238619417 15.999 > 10 54 O 0.66666666666667 0.66666666666667 0.77296238619417 15.999 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Nd 0.11111111111111 0.22222222222222 0.16666666666667 144.242 > 82 83 Nd 0.44444444444444 0.22222222222222 0.16666666666667 144.242 > 82 84 Nd 0.77777777777778 0.22222222222222 0.16666666666667 144.242 > 82 85 Nd 0.11111111111111 0.55555555555556 0.16666666666667 144.242 > 82 86 Nd 0.44444444444444 0.55555555555556 0.16666666666667 144.242 > 82 87 Nd 0.77777777777778 0.55555555555556 0.16666666666667 144.242 > 82 88 Nd 0.11111111111111 0.88888888888889 0.16666666666667 144.242 > 82 89 Nd 0.44444444444444 0.88888888888889 0.16666666666667 144.242 > 82 90 Nd 0.77777777777778 0.88888888888889 0.16666666666667 144.242 > 82 91 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 > 82 92 Nd 0.33333333333333 0.00000000000000 0.50000000000000 144.242 > 82 93 Nd 0.66666666666667 0.00000000000000 0.50000000000000 144.242 > 82 94 Nd 0.00000000000000 0.33333333333333 0.50000000000000 144.242 > 82 95 Nd 0.33333333333333 0.33333333333333 0.50000000000000 144.242 > 82 96 Nd 0.66666666666667 0.33333333333333 0.50000000000000 144.242 > 82 97 Nd 0.00000000000000 0.66666666666667 0.50000000000000 144.242 > 82 98 Nd 0.33333333333333 0.66666666666667 0.50000000000000 144.242 > 82 99 Nd 0.66666666666667 0.66666666666667 0.50000000000000 144.242 > 82 100 Nd 0.22222222222222 0.11111111111111 0.83333333333333 144.242 > 82 101 Nd 0.55555555555556 0.11111111111111 0.83333333333333 144.242 > 82 102 Nd 0.88888888888889 0.11111111111111 0.83333333333333 144.242 > 82 103 Nd 0.22222222222222 0.44444444444444 0.83333333333333 144.242 > 82 104 Nd 0.55555555555556 0.44444444444444 0.83333333333333 144.242 > 82 105 Nd 0.88888888888889 0.44444444444444 0.83333333333333 144.242 > 82 106 Nd 0.22222222222222 0.77777777777778 0.83333333333333 144.242 > 82 107 Nd 0.55555555555556 0.77777777777778 0.83333333333333 144.242 > 82 108 Nd 0.88888888888889 0.77777777777778 0.83333333333333 144.242 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 4.1274881 0.0000000 0.0000000 0.0000000 4.1274881 0.0000000 0.0000000 0.0000000 3.5176116-------------------------- Born effective charges -------------------------- 1 O -2.7769649 0.0000000 0.0000000 0.0000000 -2.7769649 0.0000000 0.0000000 0.0000000 -2.1111204 2 O -2.7769649 0.0000000 0.0000000 0.0000000 -2.7769649 0.0000000 0.0000000 0.0000000 -2.1111204 3 Rb 1.0786930 0.0000000 0.0000000 0.0000000 1.0786930 0.0000000 0.0000000 0.0000000 1.6761295 4 Nd 4.4752369 0.0000000 0.0000000 0.0000000 4.4752369 0.0000000 0.0000000 0.0000000 2.5461114----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx)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 ... [ 16 16 16 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.99, Number of G-points: 313, Lambda: 0.20Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/417) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 417Calculating 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 2.019 ( 0.000 0.000 0.000) 0.000 2.019 ( 0.000 0.000 0.000) 0.000 4.089 ( 0.000 0.000 0.000) 0.000 6.377 ( 0.000 0.000 0.000) 0.000 6.377 ( 0.000 0.000 0.000) 0.000 9.016 ( 0.000 0.000 0.000) 0.000 10.085 ( 0.000 0.000 0.000) 0.000 10.085 ( 0.000 0.000 0.000) 0.000 13.141 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/417) =======================q-point: ( 0.06 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.477 ( 19.527 11.274 6.585) 23.490 0.564 ( 23.992 13.852 0.065) 27.704 1.049 ( 42.270 24.405 6.012) 49.178 2.051 ( 2.912 1.681 -0.793) 3.454 2.187 ( 13.660 7.887 -0.209) 15.775 4.097 ( -0.270 -0.156 2.826) 2.843 6.433 ( 4.809 2.776 0.349) 5.564 8.810 ( -11.847 -6.840 -9.089) 16.424 10.042 ( -3.658 -2.112 0.117) 4.226 10.184 ( 9.280 5.358 -15.648) 18.966 12.943 ( -15.929 -9.197 2.283) 18.535 14.237 ( 5.565 3.213 -11.542) 13.210======================= Grid point 2 (3/417) =======================q-point: ( 0.12 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.933 ( 18.479 10.669 4.702) 21.849 1.087 ( 21.035 12.144 0.478) 24.294 1.887 ( 27.565 15.914 5.263) 32.261 2.152 ( 6.368 3.677 -1.513) 7.507 2.704 ( 31.862 18.396 0.293) 36.792 4.095 ( -0.395 -0.228 -0.864) 0.977 6.597 ( 9.265 5.349 0.322) 10.703 8.457 ( -16.515 -9.535 1.347) 19.117 9.926 ( -6.225 -3.594 0.309) 7.195 10.339 ( 7.815 4.512 -18.186) 20.302 12.500 ( -22.960 -13.256 7.906) 27.666 14.293 ( 1.370 0.791 -8.278) 8.428======================= Grid point 3 (4/417) =======================q-point: ( 0.19 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.354 ( 17.088 9.866 3.205) 19.990 1.511 ( 15.322 8.846 0.844) 17.712 2.342 ( 10.746 6.204 -1.891) 12.552 2.398 ( 17.659 10.195 3.850) 20.751 3.552 ( 38.812 22.408 0.894) 44.825 4.066 ( -1.730 -0.999 -3.188) 3.762 6.850 ( 12.484 7.207 -0.247) 14.417 8.105 ( -13.475 -7.780 -0.693) 15.575 9.774 ( -6.779 -3.914 0.639) 7.854 10.392 ( 1.170 0.675 -17.116) 17.169 11.975 ( -25.436 -14.686 15.279) 33.108 14.239 ( -3.250 -1.877 -10.148) 10.820======================= Grid point 4 (5/417) =======================q-point: ( 0.25 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.739 ( 15.570 8.990 3.007) 18.229 1.793 ( 9.304 5.372 0.709) 10.766 2.623 ( 13.609 7.857 -1.569) 15.793 2.766 ( 13.731 7.928 2.463) 16.045 3.988 ( -4.022 -2.322 -4.652) 6.573 4.407 ( 34.288 19.796 1.047) 39.606 7.148 ( 13.096 7.561 -1.193) 15.169 7.864 ( -6.193 -3.576 -4.615) 8.511 9.638 ( -4.817 -2.781 1.098) 5.669 10.271 ( -6.996 -4.039 -16.373) 18.257 11.438 ( -26.521 -15.312 20.954) 37.106 14.105 ( -4.679 -2.702 -11.622) 12.817======================= Grid point 5 (6/417) =======================q-point: ( 0.31 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.962 ( 5.693 3.287 0.365) 6.584 2.090 ( 14.102 8.142 3.989) 16.765 2.927 ( 12.599 7.274 -0.964) 14.580 3.048 ( 10.472 6.046 0.037) 12.093 3.848 ( -7.023 -4.055 -3.615) 8.879 5.104 ( 25.830 14.913 0.217) 29.827 7.419 ( 10.396 6.002 -2.016) 12.172 7.810 ( 3.362 1.941 -7.069) 8.065 9.575 ( -0.915 -0.528 1.483) 1.821 9.992 ( -12.165 -7.023 -14.183) 19.962 10.872 ( -28.911 -16.692 20.339) 39.091 13.981 ( -2.561 -1.479 -10.251) 10.669======================= Grid point 6 (7/417) =======================q-point: ( 0.38 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.067 ( 3.495 2.018 0.145) 4.038 2.415 ( 12.874 7.433 5.453) 15.834 3.177 ( 9.174 5.297 -0.501) 10.606 3.244 ( 7.054 4.073 -4.867) 9.489 3.649 ( -9.404 -5.429 0.042) 10.859 5.591 ( 16.701 9.643 -0.448) 19.290 7.600 ( 5.962 3.442 -2.097) 7.197 7.972 ( 12.444 7.185 -7.204) 16.074 9.601 ( 2.421 1.398 1.422) 3.137 9.667 ( -11.881 -6.860 -9.685) 16.793 10.234 ( -31.154 -17.987 14.431) 38.761 13.928 ( 0.128 0.074 -6.702) 6.704======================= Grid point 7 (8/417) =======================q-point: ( 0.44 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.127 ( 1.706 0.985 0.046) 1.971 2.717 ( 11.686 6.747 6.765) 15.095 3.284 ( -3.418 -1.974 -14.253) 14.790 3.337 ( 4.756 2.746 -0.207) 5.496 3.482 ( -3.455 -1.995 8.027) 8.964 5.876 ( 8.346 4.818 -0.513) 9.650 7.687 ( 2.354 1.359 -1.293) 3.010 8.319 ( 19.092 11.023 -6.169) 22.892 9.403 ( -10.999 -6.350 -1.558) 12.796 9.579 ( -25.726 -14.853 5.602) 30.230 9.669 ( 2.578 1.488 0.838) 3.092 13.929 ( 0.916 0.529 -3.061) 3.239======================= Grid point 8 (9/417) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 554Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.147 ( 0.000 0.000 0.000) 0.000 2.936 ( 0.000 0.000 0.000) 0.000 3.122 ( -0.000 -0.000 0.000) 0.000 3.392 ( 0.000 0.000 0.000) 0.000 3.481 ( 0.000 0.000 -0.000) 0.000 5.971 ( 0.000 0.000 0.000) 0.000 7.710 ( 0.000 0.000 0.000) 0.000 8.684 ( 0.000 0.000 0.000) 0.000 9.041 ( 0.000 0.000 0.000) 0.000 9.363 ( 0.000 0.000 0.000) 0.000 9.703 ( 0.000 0.000 0.000) 0.000 13.936 ( 0.000 0.000 -0.000) 0.000======================= Grid point 18 (10/417) =======================q-point: ( 0.06 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.536 ( -0.000 21.044 16.866) 26.969 0.602 ( -0.000 26.923 7.673) 27.995 1.044 ( 0.000 47.960 5.420) 48.265 2.052 ( 0.000 3.509 -0.683) 3.575 2.180 ( 0.000 15.659 -1.503) 15.731 4.109 ( -0.000 -2.091 4.896) 5.324 6.435 ( 0.000 5.612 0.833) 5.673 8.716 ( 0.000 -5.321 -27.418) 27.930 10.038 ( -0.000 -4.395 -0.771) 4.462 10.199 ( 0.000 12.980 -11.684) 17.464 12.943 ( -0.000 -19.155 2.222) 19.283 14.170 ( 0.000 11.065 -22.669) 25.225======================= Grid point 19 (11/417) =======================q-point: ( 0.12 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.858 ( 8.529 18.548 12.317) 23.843 0.996 ( 11.022 22.825 4.372) 25.721 1.705 ( 19.700 30.779 6.281) 37.079 2.121 ( 3.070 6.202 -1.429) 7.066 2.510 ( 15.827 26.210 -1.140) 30.640 4.097 ( -0.496 -0.706 -0.097) 0.868 6.548 ( 4.632 8.410 1.087) 9.663 8.536 ( -5.421 -14.432 -4.207) 15.980 9.930 ( -3.817 -6.725 -1.916) 7.966 10.296 ( 1.122 12.428 -16.889) 20.999 12.635 ( -10.855 -23.216 5.696) 26.253 14.244 ( 2.996 4.894 -13.453) 14.626======================= Grid point 20 (12/417) =======================q-point: ( 0.19 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.238 ( 11.874 15.175 7.547) 20.694 1.407 ( 11.633 16.629 2.811) 20.488 2.248 ( 14.709 15.435 4.340) 21.759 2.282 ( 7.247 11.194 -1.377) 13.406 3.220 ( 29.858 31.876 -0.178) 43.676 4.072 ( -1.237 -0.747 -2.851) 3.197 6.764 ( 8.465 11.129 0.882) 14.010 8.239 ( -11.694 -11.954 0.589) 16.734 9.786 ( -3.169 -8.597 -1.439) 9.275 10.349 ( 0.053 6.087 -18.291) 19.277 12.191 ( -16.010 -23.644 12.123) 31.021 14.242 ( -1.880 0.501 -11.477) 11.640======================= Grid point 21 (13/417) =======================q-point: ( 0.25 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.608 ( 12.714 12.341 4.736) 18.340 1.723 ( 8.330 10.680 1.869) 13.672 2.536 ( 9.415 14.239 -1.783) 17.163 2.642 ( 12.803 11.699 3.668) 17.727 3.972 ( 7.528 4.395 -10.069) 13.318 4.105 ( 21.330 21.345 5.676) 30.705 7.053 ( 10.205 13.348 0.158) 16.802 7.947 ( -9.964 -6.644 -2.348) 12.204 9.651 ( -2.471 -7.487 -0.176) 7.886 10.279 ( -4.403 -1.641 -17.668) 18.282 11.709 ( -18.720 -22.638 18.229) 34.572 14.129 ( -5.314 -1.787 -12.119) 13.353======================= Grid point 22 (14/417) =======================q-point: ( 0.31 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.919 ( 6.396 6.819 2.060) 9.573 1.962 ( 11.554 10.624 2.797) 15.944 2.839 ( 9.718 12.744 -1.485) 16.095 2.961 ( 9.779 11.752 1.919) 15.408 3.890 ( -4.415 -4.097 -5.797) 8.359 4.831 ( 26.252 21.199 1.480) 33.775 7.357 ( 8.552 14.320 -0.872) 16.702 7.782 ( -2.393 -1.273 -5.534) 6.162 9.565 ( -0.429 -4.643 0.968) 4.762 10.058 ( -9.412 -6.989 -15.903) 19.757 11.203 ( -22.401 -21.153 19.619) 36.526 13.981 ( -4.202 -2.419 -11.287) 12.285======================= Grid point 23 (15/417) =======================q-point: ( 0.38 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.056 ( 2.737 5.767 0.623) 6.414 2.284 ( 12.690 8.574 4.001) 15.829 3.085 ( 8.310 5.962 -3.017) 10.664 3.227 ( 4.974 15.235 -0.343) 16.030 3.730 ( -6.787 -5.646 -2.134) 9.083 5.398 ( 18.805 13.943 0.449) 23.415 7.605 ( 3.938 14.082 -1.634) 14.713 7.817 ( 7.698 3.024 -6.763) 10.684 9.551 ( 2.180 -2.803 1.854) 4.006 9.752 ( -10.795 -8.370 -12.101) 18.249 10.631 ( -27.547 -17.980 14.983) 36.147 13.886 ( -0.136 -2.553 -7.899) 8.303======================= Grid point 24 (16/417) =======================q-point: ( 0.44 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.140 ( 0.619 5.131 0.165) 5.171 2.593 ( 12.417 7.076 4.906) 15.110 3.206 ( 3.814 -0.251 -10.176) 10.870 3.413 ( -1.222 14.424 -1.995) 14.612 3.562 ( -5.681 -3.488 5.990) 8.962 5.763 ( 11.383 7.504 -0.110) 13.635 7.758 ( -1.528 13.750 -1.712) 13.940 8.054 ( 17.108 4.851 -6.344) 18.880 9.476 ( -7.781 -6.981 -6.559) 12.340 9.544 ( -1.136 -9.523 3.089) 10.075 10.049 ( -26.163 -5.343 7.244) 27.668 13.867 ( 2.939 -3.151 -3.754) 5.715======================= Grid point 25 (17/417) =======================q-point: ( 0.50 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.181 ( -1.319 4.351 -0.096) 4.548 2.871 ( 9.550 4.158 5.015) 11.560 3.124 ( -3.617 -3.316 -13.211) 14.093 3.439 ( -1.698 0.496 4.318) 4.667 3.560 ( -4.657 10.720 2.332) 11.918 5.944 ( 4.198 2.020 -0.052) 4.659 7.825 ( -5.351 13.023 -1.090) 14.122 8.421 ( 21.309 1.237 -5.447) 22.029 9.199 ( -17.022 -13.327 5.180) 22.231 9.344 ( -1.496 -4.654 -2.209) 5.364 9.830 ( -7.694 9.156 0.969) 11.999 13.884 ( 3.500 -4.074 -0.245) 5.377======================= Grid point 26 (18/417) =======================q-point: (-0.44 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.180 ( -3.094 3.233 -0.270) 4.483 2.810 ( -9.350 -6.368 -7.770) 13.724 3.222 ( 10.435 4.812 5.849) 12.894 3.411 ( -1.724 -1.792 0.046) 2.487 3.550 ( -9.259 9.989 -0.018) 13.620 5.946 ( -3.691 -2.636 0.377) 4.552 7.830 ( -7.923 11.319 -0.037) 13.817 8.462 ( -9.149 -17.492 2.879) 19.949 9.151 ( 17.561 8.005 -4.731) 19.871 9.369 ( 6.385 0.146 2.929) 7.026 9.820 ( -5.010 10.241 -1.142) 11.457 13.899 ( 2.695 -4.472 2.758) 5.905======================= Grid point 27 (19/417) =======================q-point: (-0.38 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.137 ( -4.696 1.760 -0.438) 5.034 2.536 ( -11.641 -6.461 -6.794) 14.947 3.288 ( -6.037 -4.302 6.356) 9.765 3.433 ( -13.143 7.141 1.459) 15.029 3.515 ( 11.233 4.865 -2.710) 12.538 5.767 ( -12.212 -6.356 0.633) 13.781 7.771 ( -10.529 7.910 0.977) 13.205 8.113 ( -11.939 -12.426 6.005) 18.249 9.502 ( 12.393 -2.027 -2.802) 12.866 9.552 ( 10.479 3.402 6.319) 12.701 9.969 ( 12.990 18.399 -9.271) 24.357 13.914 ( 2.421 -3.388 5.765) 7.111======================= Grid point 28 (20/417) =======================q-point: (-0.31 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.049 ( -6.305 -0.059 -0.707) 6.345 2.242 ( -13.212 -5.881 -4.668) 15.197 3.113 ( -10.977 -3.844 2.791) 11.961 3.225 ( -15.693 2.148 -0.620) 15.851 3.749 ( 9.919 3.709 1.836) 10.748 5.398 ( -21.759 -9.714 0.387) 23.832 7.621 ( -13.886 3.071 1.534) 14.304 7.883 ( -6.318 -5.620 7.000) 10.977 9.533 ( 1.716 -3.370 -1.861) 4.215 9.869 ( 14.394 6.265 12.216) 19.892 10.471 ( 26.733 14.477 -18.267) 35.467 13.966 ( 3.657 -0.682 8.482) 9.262======================= Grid point 29 (21/417) =======================q-point: (-0.25 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.898 ( -10.494 -4.378 -2.213) 11.584 1.943 ( -13.462 -2.671 -1.274) 13.784 2.855 ( -16.171 -1.977 1.791) 16.389 2.944 ( -15.701 -3.047 -1.467) 16.061 3.931 ( 6.764 2.258 2.644) 7.605 4.823 ( -31.951 -12.612 -0.053) 34.350 7.368 ( -16.780 -0.989 1.286) 16.858 7.836 ( 1.524 0.414 5.748) 5.961 9.553 ( 4.559 -1.582 -1.419) 5.030 10.203 ( 11.753 4.873 13.972) 18.897 11.010 ( 28.894 10.002 -20.202) 36.648 14.081 ( 5.254 2.051 9.429) 10.987======================= Grid point 30 (22/417) =======================q-point: (-0.19 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.577 ( -17.473 -5.386 -1.633) 18.357 1.712 ( -13.691 -2.342 -0.427) 13.896 2.551 ( -16.874 -1.254 1.404) 16.979 2.615 ( -17.283 -5.171 -1.960) 18.146 4.038 ( -3.814 0.267 -3.494) 5.180 4.069 ( -32.986 -12.436 5.278) 35.645 7.055 ( -16.865 -2.846 0.595) 17.114 7.971 ( 9.324 4.171 2.586) 10.537 9.648 ( 8.003 -0.857 -0.726) 8.082 10.424 ( 4.655 2.091 11.709) 12.773 11.549 ( 30.167 7.619 -14.547) 34.347 14.225 ( 4.732 2.619 7.601) 9.329======================= Grid point 31 (23/417) =======================q-point: (-0.12 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.197 ( -20.547 -4.052 -1.022) 20.968 1.393 ( -20.375 -2.585 -0.085) 20.538 2.217 ( -22.602 -4.878 -1.800) 23.192 2.294 ( -12.389 -0.697 0.795) 12.434 3.218 ( -42.594 -9.252 -0.580) 43.591 4.091 ( 0.960 0.194 1.097) 1.471 6.760 ( -14.014 -2.208 0.072) 14.187 8.235 ( 15.438 4.126 -0.216) 15.981 9.792 ( 9.249 -0.714 -0.073) 9.276 10.479 ( -3.213 0.531 7.879) 8.525 12.100 ( 29.849 5.004 -6.352) 30.925 14.318 ( 1.313 1.043 4.045) 4.379======================= Grid point 32 (24/417) =======================q-point: (-0.06 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.796 ( -22.645 -0.000 0.000) 22.645 0.974 ( -25.932 -0.000 0.000) 25.932 1.675 ( -37.625 -0.000 0.000) 37.625 2.128 ( -6.875 -0.000 0.000) 6.875 2.516 ( -30.380 -0.000 0.000) 30.380 4.097 ( -0.202 -0.000 0.000) 0.202 6.543 ( -9.627 -0.000 0.000) 9.627 8.556 ( 18.599 0.000 -0.000) 18.599 9.938 ( 7.826 0.000 -0.000) 7.826 10.383 ( -9.483 -0.000 0.000) 9.483 12.607 ( 26.087 0.000 -0.000) 26.087 14.313 ( -2.928 -0.000 0.000) 2.928======================= Grid point 35 (25/417) =======================q-point: ( 0.12 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.041 ( -0.000 19.337 14.283) 24.040 1.149 ( -0.000 22.901 6.510) 23.808 1.886 ( 0.000 31.283 5.320) 31.732 2.155 ( 0.000 7.682 -1.332) 7.796 2.682 ( 0.000 36.456 -1.918) 36.507 4.093 ( 0.000 -0.624 -1.155) 1.313 6.610 ( 0.000 11.056 1.588) 11.170 8.405 ( 0.000 -14.283 -3.786) 14.776 9.908 ( -0.000 -7.557 -1.424) 7.690 10.360 ( 0.000 10.229 -15.667) 18.710 12.471 ( -0.000 -29.444 5.266) 29.912 14.230 ( 0.000 6.076 -13.474) 14.781======================= Grid point 36 (26/417) =======================q-point: ( 0.19 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.301 ( 4.100 17.551 11.087) 21.161 1.442 ( 6.432 18.083 4.968) 19.825 2.244 ( 7.745 20.764 4.488) 22.611 2.287 ( 5.164 11.625 -1.531) 12.812 3.195 ( 14.098 40.222 -1.732) 42.656 4.077 ( -0.796 0.121 -2.525) 2.650 6.779 ( 4.725 13.631 1.818) 14.541 8.238 ( -3.367 -13.374 0.745) 13.812 9.768 ( -5.107 -7.897 -2.413) 9.709 10.373 ( -1.572 5.085 -17.413) 18.208 12.135 ( -5.797 -30.948 9.131) 32.784 14.240 ( -0.501 2.529 -11.307) 11.597======================= Grid point 37 (27/417) =======================q-point: ( 0.25 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.589 ( 7.190 14.410 7.325) 17.691 1.723 ( 6.533 12.569 3.392) 14.566 2.539 ( 7.795 16.177 -1.002) 17.985 2.589 ( 10.277 15.325 3.284) 18.742 3.827 ( 15.243 20.462 -8.236) 26.812 4.104 ( 4.579 13.800 3.005) 14.847 7.049 ( 8.235 16.378 1.855) 18.426 8.027 ( -7.852 -8.746 0.102) 11.754 9.606 ( -2.977 -7.690 -2.442) 8.600 10.286 ( -4.223 -1.553 -17.779) 18.339 11.738 ( -9.168 -29.875 14.357) 34.390 14.170 ( -4.688 -0.510 -10.863) 11.842======================= Grid point 38 (28/417) =======================q-point: ( 0.31 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.872 ( 8.453 10.176 5.329) 14.262 1.945 ( 5.706 10.672 1.661) 12.215 2.809 ( 7.130 11.230 -0.229) 13.304 2.954 ( 10.819 19.393 1.483) 22.257 3.883 ( -1.855 -3.559 -7.858) 8.824 4.666 ( 20.821 27.577 2.852) 34.672 7.379 ( 8.549 18.254 1.457) 20.209 7.831 ( -6.595 -2.687 -2.885) 7.683 9.509 ( 0.225 -5.855 -1.126) 5.966 10.084 ( -7.654 -6.918 -16.756) 19.677 11.319 ( -12.313 -27.553 17.009) 34.643 14.016 ( -6.680 -2.197 -10.691) 12.797======================= Grid point 39 (29/417) =======================q-point: ( 0.38 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.073 ( 3.997 6.935 2.827) 8.489 2.194 ( 9.671 10.712 2.215) 14.601 3.002 ( 6.231 5.186 -2.276) 8.421 3.327 ( 6.995 22.652 0.385) 23.710 3.762 ( -4.483 -5.223 -3.754) 7.840 5.242 ( 17.754 18.519 1.487) 25.697 7.659 ( 4.736 9.711 -0.893) 10.841 7.789 ( 0.899 11.331 -3.113) 11.785 9.487 ( 2.276 -3.389 0.205) 4.088 9.800 ( -9.627 -8.868 -13.701) 18.948 10.864 ( -17.047 -23.315 14.590) 32.358 13.859 ( -3.958 -3.537 -8.816) 10.291======================= Grid point 40 (30/417) =======================q-point: ( 0.44 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.193 ( 1.225 7.144 1.311) 7.366 2.478 ( 11.002 8.582 2.811) 14.234 3.106 ( 4.188 0.053 -7.279) 8.398 3.578 ( -3.884 5.096 -2.082) 6.737 3.666 ( -0.872 13.271 3.914) 13.864 5.644 ( 12.218 9.829 0.770) 15.700 7.811 ( 10.600 2.540 -3.305) 11.390 7.976 ( -1.272 20.562 -1.551) 20.659 9.472 ( -1.647 -6.904 -3.448) 7.890 9.534 ( -6.409 -5.682 -3.819) 9.378 10.386 ( -19.558 -13.296 8.276) 25.056 13.767 ( 1.104 -5.300 -5.261) 7.549======================= Grid point 41 (31/417) =======================q-point: ( 0.50 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.266 ( -1.346 7.021 0.365) 7.158 2.755 ( 10.950 6.179 3.544) 13.063 3.086 ( -0.764 -3.059 -13.510) 13.873 3.478 ( -3.605 -4.398 6.782) 8.851 3.838 ( -5.752 22.662 0.626) 23.389 5.872 ( 6.920 2.870 0.425) 7.503 8.064 ( 16.753 0.543 -2.363) 16.928 8.108 ( -6.122 19.752 -2.281) 20.804 9.312 ( -3.014 -6.137 -3.158) 7.531 9.344 ( -11.280 -9.586 2.701) 15.048 10.077 ( -11.071 3.215 1.679) 11.650 13.749 ( 4.704 -7.018 -1.447) 8.572======================= Grid point 42 (32/417) =======================q-point: (-0.44 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.287 ( -3.713 5.889 -0.347) 6.970 2.863 ( -5.057 -4.173 -5.327) 8.448 3.090 ( 10.060 5.266 -4.315) 12.147 3.413 ( -1.727 -5.465 7.097) 9.122 3.901 ( -12.124 20.590 -0.125) 23.894 5.946 ( 1.182 -2.106 0.401) 2.448 8.140 ( -9.266 14.762 -2.964) 17.680 8.285 ( 8.837 -7.851 0.888) 11.855 9.104 ( -4.925 1.414 0.291) 5.132 9.281 ( 4.083 -1.548 1.354) 4.572 10.007 ( -5.988 8.002 -1.493) 10.105 13.769 ( 5.833 -7.614 1.855) 9.769======================= Grid point 43 (33/417) =======================q-point: (-0.38 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.252 ( -5.509 3.580 -0.986) 6.643 2.652 ( -10.393 -3.759 -6.762) 12.956 3.335 ( -1.831 -5.259 0.729) 5.616 3.344 ( 11.344 3.856 4.227) 12.706 3.829 ( -17.487 16.462 -0.459) 24.021 5.872 ( -5.948 -4.990 0.484) 7.779 8.048 ( -8.588 -1.254 -1.868) 8.878 8.200 ( -10.635 0.597 4.862) 11.709 9.255 ( 13.113 5.527 -3.942) 14.767 9.425 ( 9.843 3.133 5.718) 11.807 10.005 ( -1.180 8.539 -5.430) 10.188 13.810 ( 5.886 -6.246 4.550) 9.714======================= Grid point 44 (34/417) =======================q-point: (-0.31 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.163 ( -6.716 0.593 -1.636) 6.937 2.407 ( -12.458 -2.024 -4.231) 13.312 3.215 ( -5.918 -5.364 3.073) 8.558 3.592 ( 7.728 4.008 -0.477) 8.718 3.630 ( -17.319 10.087 0.702) 20.054 5.640 ( -14.869 -6.362 0.404) 16.178 7.861 ( -7.211 -5.849 1.848) 9.467 8.029 ( -14.940 5.972 3.655) 16.499 9.441 ( 5.211 -0.878 -2.797) 5.979 9.710 ( 14.656 5.747 10.383) 18.858 10.172 ( 14.736 8.703 -13.488) 21.790 13.885 ( 6.396 -3.064 6.300) 9.486======================= Grid point 45 (35/417) =======================q-point: (-0.25 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.021 ( -8.448 -2.065 -2.088) 8.944 2.160 ( -13.687 -0.344 -1.446) 13.768 3.044 ( -9.619 -3.783 1.715) 10.477 3.311 ( -23.554 5.312 -0.786) 24.158 3.814 ( 9.760 1.817 1.272) 10.008 5.228 ( -25.494 -6.867 0.165) 26.403 7.677 ( -14.611 0.649 1.152) 14.671 7.866 ( -5.835 0.254 4.208) 7.199 9.466 ( 2.350 -1.940 -1.653) 3.467 10.063 ( 14.496 4.805 12.335) 19.631 10.550 ( 25.488 5.234 -16.753) 30.947 14.011 ( 7.292 0.165 6.237) 9.597======================= Grid point 46 (36/417) =======================q-point: (-0.19 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.806 ( -13.443 -2.273 -1.242) 13.690 1.927 ( -13.022 0.021 -0.184) 13.023 2.818 ( -13.688 -1.893 0.688) 13.835 2.934 ( -23.085 1.172 -0.542) 23.121 3.972 ( 6.556 0.786 0.852) 6.658 4.635 ( -35.755 -5.382 0.041) 36.158 7.368 ( -20.160 0.038 0.392) 20.164 7.883 ( 4.596 0.986 2.306) 5.236 9.512 ( 5.611 -1.239 -0.705) 5.790 10.344 ( 10.098 1.891 6.885) 12.367 11.033 ( 30.407 2.835 -9.462) 31.971 14.163 ( 7.023 1.225 3.876) 8.115======================= Grid point 47 (37/417) =======================q-point: (-0.12 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.516 ( -18.245 -0.000 0.000) 18.245 1.689 ( -15.196 -0.000 0.000) 15.196 2.540 ( -17.759 -0.000 0.000) 17.759 2.566 ( -19.135 -0.000 0.000) 19.135 3.922 ( -42.677 -0.000 0.000) 42.677 4.061 ( 3.188 0.000 -0.000) 3.188 7.030 ( -18.263 -0.000 0.000) 18.263 8.028 ( 10.611 0.000 -0.000) 10.611 9.629 ( 8.576 0.000 -0.000) 8.576 10.486 ( 4.034 0.000 -0.000) 4.034 11.574 ( 31.852 0.000 -0.000) 31.852 14.280 ( 4.682 0.000 -0.000) 4.682======================= Grid point 52 (38/417) =======================q-point: ( 0.19 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.475 ( -0.000 15.986 10.819) 19.303 1.571 ( -0.000 15.544 4.515) 16.187 2.350 ( 0.000 12.945 -1.503) 13.032 2.405 ( 0.000 20.281 4.019) 20.676 3.483 ( 0.000 39.723 -3.591) 39.885 4.092 ( 0.000 3.816 -1.493) 4.097 6.885 ( 0.000 15.017 1.866) 15.132 8.145 ( -0.000 -10.597 2.359) 10.856 9.736 ( -0.000 -8.210 -1.663) 8.377 10.357 ( 0.000 0.243 -20.074) 20.076 11.880 ( -0.000 -33.978 9.961) 35.408 14.238 ( 0.000 2.410 -9.650) 9.946======================= Grid point 53 (39/417) =======================q-point: ( 0.25 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.676 ( 2.520 13.662 8.284) 16.175 1.758 ( 4.272 11.127 3.320) 12.373 2.560 ( 7.983 16.285 -1.224) 18.178 2.636 ( 3.502 16.401 3.217) 17.076 3.815 ( 4.173 13.403 -9.426) 16.909 4.233 ( 3.633 25.636 3.829) 26.174 7.097 ( 5.828 16.417 1.973) 17.533 8.042 ( -3.114 -6.924 2.415) 7.966 9.601 ( -4.954 -6.773 -2.374) 8.721 10.249 ( -1.822 -5.388 -20.908) 21.668 11.554 ( -2.528 -33.812 13.069) 36.337 14.205 ( -2.836 0.563 -8.522) 9.000======================= Grid point 54 (40/417) =======================q-point: ( 0.31 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.882 ( 4.630 10.292 6.247) 12.899 1.953 ( 5.793 9.198 1.844) 11.026 2.831 ( 3.628 12.208 0.040) 12.736 2.942 ( 13.344 18.754 0.847) 23.032 3.845 ( -0.370 -2.051 -8.292) 8.549 4.698 ( 11.160 31.846 3.299) 33.906 7.414 ( 9.503 17.966 2.454) 20.472 7.915 ( -6.131 -2.191 -0.037) 6.511 9.463 ( -2.547 -4.787 -2.664) 6.041 10.059 ( -4.390 -8.915 -18.713) 21.188 11.209 ( -4.637 -32.162 14.813) 35.711 14.089 ( -6.908 -1.196 -8.361) 10.911======================= Grid point 55 (41/417) =======================q-point: ( 0.38 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.069 ( 5.105 6.671 5.174) 9.866 2.165 ( 7.400 10.208 0.492) 12.618 2.972 ( 2.702 5.927 -2.137) 6.855 3.385 ( 13.155 21.832 0.086) 25.489 3.764 ( -2.686 -3.778 -3.909) 6.063 5.190 ( 12.222 22.818 2.009) 25.963 7.691 ( 0.480 6.974 0.285) 6.996 7.893 ( 3.627 14.475 0.491) 14.930 9.411 ( 1.668 -3.130 -2.432) 4.301 9.814 ( -6.974 -8.805 -14.917) 18.673 10.849 ( -7.076 -29.011 13.507) 32.774 13.907 ( -8.260 -2.756 -8.018) 11.836======================= Grid point 56 (42/417) =======================q-point: ( 0.44 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.225 ( 3.928 6.053 3.710) 8.114 2.407 ( 8.774 9.792 0.117) 13.148 3.030 ( 2.009 0.137 -5.561) 5.915 3.638 ( -3.734 -2.378 -1.213) 4.590 3.825 ( 7.474 22.950 2.122) 24.230 5.561 ( 9.742 12.124 1.289) 15.607 7.714 ( 2.019 2.527 -1.390) 3.521 8.184 ( 3.405 21.596 1.805) 21.938 9.397 ( 0.863 -6.258 -5.488) 8.368 9.590 ( -6.298 -2.753 -6.543) 9.489 10.486 ( -9.021 -21.645 9.071) 25.143 13.725 ( -5.030 -4.900 -6.389) 9.493======================= Grid point 57 (43/417) =======================q-point: ( 0.50 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.344 ( 1.318 6.651 2.002) 7.070 2.655 ( 9.342 7.899 0.339) 12.238 3.013 ( 0.885 -3.214 -9.284) 9.865 3.527 ( -5.004 -4.262 4.856) 8.172 4.150 ( -0.023 26.224 0.456) 26.228 5.777 ( 6.817 2.479 0.936) 7.314 7.832 ( 9.057 1.594 -0.771) 9.229 8.404 ( -2.801 20.335 0.961) 20.549 9.266 ( -2.164 -8.216 -6.923) 10.960 9.470 ( -8.560 -1.299 1.730) 8.829 10.224 ( -5.762 -6.646 2.793) 9.229 13.610 ( 0.807 -7.468 -3.444) 8.263======================= Grid point 58 (44/417) =======================q-point: ( 0.56 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.404 ( -2.410 6.088 0.137) 6.549 2.849 ( 3.588 0.138 0.787) 3.676 2.981 ( 4.288 3.104 -11.463) 12.626 3.421 ( -3.642 -6.152 8.144) 10.837 4.329 ( -9.494 25.674 -0.197) 27.374 5.866 ( 4.570 -4.188 0.753) 6.244 7.995 ( 9.276 -4.456 -1.344) 10.379 8.504 ( -6.765 17.128 1.139) 18.451 9.176 ( 0.717 -5.166 -3.933) 6.532 9.291 ( -9.359 3.116 3.961) 10.630 10.148 ( -3.581 3.085 -1.634) 5.001 13.581 ( 5.747 -8.820 -0.084) 10.527======================= Grid point 59 (45/417) =======================q-point: (-0.38 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.378 ( -5.481 2.998 -1.448) 6.413 2.772 ( -7.225 -0.164 -4.412) 8.467 3.165 ( 10.924 4.616 -6.869) 13.705 3.336 ( -1.474 -7.065 10.163) 12.465 4.326 ( -17.789 21.060 -0.451) 27.571 5.862 ( 0.958 -6.468 0.560) 6.563 7.988 ( 0.200 -11.140 -1.564) 11.251 8.530 ( -10.061 13.544 2.654) 17.079 9.158 ( 3.954 2.647 -3.272) 5.775 9.347 ( 4.870 7.543 5.559) 10.561 10.098 ( -4.524 2.526 -4.722) 7.010 13.626 ( 8.264 -7.575 2.607) 11.509======================= Grid point 60 (46/417) =======================q-point: (-0.31 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.277 ( -6.905 -0.065 -2.010) 7.192 2.605 ( -11.586 1.771 -2.784) 12.047 3.232 ( -1.160 -4.817 0.252) 4.961 3.423 ( 11.052 1.876 2.497) 11.485 4.138 ( -23.293 13.281 -0.413) 26.817 5.766 ( -5.900 -5.269 0.326) 7.917 7.848 ( -2.574 -9.053 0.408) 9.420 8.417 ( -16.409 9.024 1.823) 18.815 9.326 ( 9.130 3.441 -2.413) 10.050 9.580 ( 10.238 7.988 8.141) 15.327 10.044 ( 1.443 -0.301 -8.855) 8.976 13.728 ( 9.155 -4.252 3.741) 10.765======================= Grid point 61 (47/417) =======================q-point: (-0.25 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.139 ( -7.731 -0.939 -1.357) 7.905 2.395 ( -13.507 1.006 -0.968) 13.579 3.143 ( -5.092 -2.521 0.945) 5.759 3.639 ( 10.728 1.044 0.353) 10.784 3.803 ( -25.103 5.355 -0.140) 25.668 5.541 ( -15.918 -3.050 0.118) 16.208 7.754 ( -1.317 -3.599 1.199) 4.016 8.171 ( -19.696 3.995 0.988) 20.121 9.427 ( 1.429 0.330 -1.174) 1.878 9.897 ( 13.930 5.113 10.452) 18.150 10.155 ( 16.880 -0.634 -11.957) 20.696 13.875 ( 9.402 -1.036 2.821) 9.871======================= Grid point 62 (48/417) =======================q-point: (-0.19 0.19 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.986 ( -9.349 -0.000 0.000) 9.349 2.161 ( -13.870 -0.000 0.000) 13.870 3.008 ( -9.381 -0.000 0.000) 9.381 3.370 ( -25.886 -0.000 0.000) 25.886 3.837 ( 9.635 0.000 -0.000) 9.635 5.155 ( -26.889 -0.000 0.000) 26.889 7.680 ( -10.845 -0.000 0.000) 10.845 7.894 ( -9.247 -0.000 0.000) 9.247 9.441 ( 1.784 0.000 -0.000) 1.784 10.168 ( 12.609 0.000 -0.000) 12.609 10.527 ( 27.122 0.000 -0.000) 27.122 14.035 ( 8.825 0.000 -0.000) 8.825======================= Grid point 69 (49/417) =======================q-point: ( 0.25 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.808 ( -0.000 11.590 7.372) 13.736 1.827 ( 0.000 8.660 2.131) 8.918 2.636 ( 0.000 15.859 -1.067) 15.895 2.780 ( 0.000 15.337 1.992) 15.466 3.835 ( 0.000 2.658 -9.218) 9.594 4.520 ( 0.000 34.598 3.928) 34.820 7.201 ( 0.000 14.918 0.973) 14.950 8.030 ( -0.000 -2.793 3.272) 4.302 9.588 ( -0.000 -5.094 -0.964) 5.185 10.104 ( 0.000 -10.866 -24.467) 26.772 11.276 ( -0.000 -34.128 14.209) 36.967 14.216 ( 0.000 0.798 -6.437) 6.486======================= Grid point 70 (50/417) =======================q-point: ( 0.31 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.941 ( 2.724 7.018 4.243) 8.642 1.951 ( 3.171 8.860 2.672) 9.783 2.885 ( 9.512 16.173 -1.108) 18.796 2.929 ( 1.861 11.479 0.108) 11.629 3.810 ( -0.353 -1.385 -6.927) 7.073 4.908 ( 3.851 32.493 3.084) 32.866 7.419 ( 8.425 14.055 0.786) 16.405 7.996 ( -3.862 0.662 1.425) 4.170 9.491 ( -5.330 -2.708 -1.828) 6.252 9.916 ( 1.027 -12.938 -21.366) 25.000 10.975 ( -1.399 -33.035 14.208) 35.988 14.165 ( -4.590 0.158 -5.555) 7.208======================= Grid point 71 (51/417) =======================q-point: ( 0.38 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.075 ( 3.625 5.728 5.140) 8.507 2.125 ( 7.149 7.521 -0.124) 10.377 3.006 ( -0.260 5.836 -3.606) 6.865 3.306 ( 17.230 16.888 -0.606) 24.134 3.762 ( -1.453 -1.655 -2.426) 3.276 5.288 ( 5.394 24.905 2.104) 25.569 7.737 ( 8.071 11.548 1.304) 14.149 7.951 ( -0.462 6.204 -0.534) 6.244 9.379 ( -2.814 -2.756 -3.586) 5.327 9.749 ( -1.031 -8.739 -14.807) 17.225 10.663 ( -2.563 -31.153 12.346) 33.608 14.022 ( -9.204 -0.916 -5.574) 10.800======================= Grid point 72 (52/417) =======================q-point: ( 0.44 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.214 ( 4.641 4.708 4.761) 8.147 2.341 ( 9.259 7.560 -1.326) 12.027 3.008 ( -1.002 0.329 -5.896) 5.989 3.666 ( -0.003 1.812 -1.683) 2.473 3.831 ( 14.578 15.643 2.889) 21.577 5.580 ( 4.225 15.105 1.392) 15.746 7.774 ( -4.466 4.273 -0.429) 6.196 8.250 ( 12.623 16.204 2.340) 20.673 9.302 ( -0.089 -6.587 -6.513) 9.264 9.634 ( -2.429 0.422 -7.693) 8.079 10.358 ( -2.518 -27.075 9.177) 28.699 13.809 ( -10.822 -2.551 -5.516) 12.411======================= Grid point 73 (53/417) =======================q-point: ( 0.50 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.355 ( 4.604 4.426 3.793) 7.428 2.575 ( 9.474 7.565 -2.299) 12.340 2.953 ( -0.966 -3.166 -6.506) 7.299 3.599 ( -5.310 -1.723 3.299) 6.484 4.291 ( 13.018 21.490 0.595) 25.132 5.731 ( 1.636 4.360 0.997) 4.763 7.782 ( 0.764 4.280 0.995) 4.460 8.575 ( 4.858 15.020 2.546) 15.990 9.186 ( -1.353 -8.553 -7.535) 11.479 9.611 ( -4.484 5.516 -1.657) 7.300 10.143 ( 2.339 -16.576 4.423) 17.315 13.590 ( -7.674 -4.959 -4.446) 10.161======================= Grid point 74 (54/417) =======================q-point: ( 0.56 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.468 ( 1.776 4.231 1.687) 4.889 2.781 ( 6.297 4.480 -1.424) 7.858 2.902 ( 2.652 -1.337 -7.251) 7.836 3.482 ( -6.650 -3.670 5.492) 9.373 4.666 ( 2.464 24.932 -0.112) 25.053 5.744 ( 1.615 -6.306 0.860) 6.566 7.869 ( 3.912 1.731 1.513) 4.538 8.720 ( -2.424 9.697 1.348) 10.086 9.079 ( 1.097 -6.647 -4.895) 8.328 9.533 ( -9.868 6.608 2.295) 12.095 10.143 ( 5.047 -2.688 -0.746) 5.767 13.443 ( -0.687 -7.012 -2.130) 7.360======================= Grid point 75 (55/417) =======================q-point: (-0.38 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.482 ( -3.922 1.776 -1.083) 4.440 2.831 ( 0.462 0.255 0.029) 0.528 3.027 ( 8.295 5.184 -8.011) 12.644 3.346 ( -5.165 -5.920 7.541) 10.890 4.822 ( -13.213 23.020 -0.453) 26.547 5.713 ( 5.862 -11.176 0.727) 12.641 7.903 ( -0.013 -3.702 0.037) 3.702 8.749 ( -3.312 6.885 1.735) 7.834 9.064 ( 4.590 -3.737 -2.912) 6.596 9.491 ( -5.696 11.613 4.064) 13.558 10.159 ( -1.969 -0.337 -3.577) 4.097 13.423 ( 6.436 -6.434 0.361) 9.108======================= Grid point 76 (56/417) =======================q-point: (-0.31 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.388 ( -6.618 -0.143 -1.260) 6.739 2.796 ( -7.324 2.514 -0.769) 7.781 3.161 ( 4.821 -0.329 -4.727) 6.760 3.297 ( 4.303 -2.052 5.699) 7.430 4.664 ( -23.283 10.786 -0.273) 25.661 5.730 ( 4.188 -5.320 0.304) 6.778 7.823 ( -2.944 -4.299 -0.303) 5.219 8.713 ( -9.046 3.822 1.119) 9.884 9.169 ( 10.137 0.484 -1.147) 10.213 9.588 ( 2.487 9.451 4.452) 10.739 10.048 ( -6.127 -3.111 -4.685) 8.316 13.526 ( 10.191 -3.193 1.276) 10.756======================= Grid point 77 (57/417) =======================q-point: (-0.25 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.262 ( -7.359 -0.000 0.000) 7.359 2.627 ( -12.517 -0.000 0.000) 12.517 3.178 ( -0.487 -0.000 0.000) 0.487 3.450 ( 10.966 0.000 -0.000) 10.966 4.282 ( -26.013 -0.000 0.000) 26.013 5.706 ( -4.995 -0.000 0.000) 4.995 7.756 ( -1.719 -0.000 0.000) 1.719 8.513 ( -16.302 -0.000 0.000) 16.302 9.353 ( 8.629 0.000 -0.000) 8.629 9.758 ( 9.192 0.000 -0.000) 9.192 9.947 ( 1.379 0.000 -0.000) 1.379 13.697 ( 10.661 0.000 -0.000) 10.661======================= Grid point 86 (58/417) =======================q-point: ( 0.31 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.967 ( 0.000 4.978 0.491) 5.003 2.032 ( -0.000 7.282 4.301) 8.458 2.936 ( 0.000 14.281 -0.719) 14.299 3.016 ( 0.000 7.917 -3.202) 8.540 3.784 ( 0.000 -0.865 -4.166) 4.255 5.197 ( 0.000 29.118 2.537) 29.228 7.451 ( 0.000 9.461 -1.169) 9.533 8.058 ( 0.000 3.594 0.122) 3.596 9.548 ( -0.000 1.491 0.788) 1.687 9.668 ( 0.000 -16.242 -21.027) 26.570 10.707 ( -0.000 -31.900 12.853) 34.392 14.199 ( 0.000 0.956 -3.645) 3.768======================= Grid point 87 (59/417) =======================q-point: ( 0.38 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.054 ( 4.679 3.994 0.614) 6.182 2.120 ( 1.773 5.512 2.531) 6.319 3.048 ( -0.832 2.957 -6.190) 6.911 3.181 ( 12.517 13.033 -0.677) 18.083 3.769 ( -0.673 0.434 -0.284) 0.850 5.480 ( 1.515 22.878 1.730) 22.994 7.634 ( 12.054 7.366 -1.214) 14.179 8.054 ( -4.310 4.483 -2.963) 6.889 9.393 ( -4.840 -8.758 -8.945) 13.422 9.626 ( 2.991 -0.738 -4.956) 5.835 10.424 ( -1.151 -30.016 10.262) 31.742 14.146 ( -6.141 0.826 -3.063) 6.912======================= Grid point 88 (60/417) =======================q-point: ( 0.44 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.191 ( 4.991 3.333 3.780) 7.093 2.242 ( 7.434 4.684 -1.580) 8.928 3.013 ( -1.717 -0.839 -7.040) 7.294 3.586 ( 17.710 11.867 -1.689) 21.385 3.770 ( 0.709 1.692 3.562) 4.007 5.700 ( 0.968 15.495 1.144) 15.567 7.888 ( 0.395 5.075 -1.230) 5.237 8.102 ( 14.051 7.406 -2.244) 16.041 9.232 ( -1.980 -7.518 -5.984) 9.811 9.649 ( -0.120 3.590 -3.439) 4.973 10.146 ( -1.443 -26.326 7.597) 27.439 13.985 ( -11.664 -0.079 -3.277) 12.116======================= Grid point 89 (61/417) =======================q-point: ( 0.50 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.317 ( 5.038 2.825 3.722) 6.871 2.447 ( 11.055 4.415 -2.574) 12.179 2.939 ( -2.363 -2.461 -5.710) 6.652 3.692 ( -4.463 1.166 2.269) 5.141 4.133 ( 23.138 11.925 0.709) 26.040 5.812 ( -2.370 7.813 0.885) 8.213 7.861 ( -3.686 4.251 -0.415) 5.642 8.515 ( 17.684 9.195 0.726) 19.944 9.117 ( -2.089 -5.928 -4.738) 7.871 9.689 ( 1.830 4.969 -3.796) 6.516 9.923 ( 0.451 -19.457 5.936) 20.347 13.739 ( -13.914 -1.614 -3.334) 14.399======================= Grid point 90 (62/417) =======================q-point: ( 0.56 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.442 ( 5.120 2.226 2.422) 6.086 2.675 ( 10.976 4.196 -2.992) 12.126 2.856 ( -2.106 -2.721 -3.350) 4.802 3.599 ( -7.338 -0.620 2.924) 7.923 4.652 ( 21.263 13.648 0.040) 25.266 5.766 ( -7.591 -0.573 0.656) 7.641 7.876 ( 0.113 3.628 1.610) 3.971 8.789 ( 4.635 5.621 0.894) 7.340 9.006 ( -2.400 -5.320 -3.898) 7.018 9.737 ( -5.385 6.198 0.474) 8.224 9.905 ( 14.865 -8.596 0.665) 17.185 13.484 ( -10.768 -3.181 -2.433) 11.489======================= Grid point 91 (63/417) =======================q-point: ( 0.62 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.525 ( 0.947 1.033 0.265) 1.426 2.800 ( 0.993 -0.309 -0.397) 1.113 2.895 ( 9.868 2.016 -2.976) 10.502 3.453 ( -8.900 -1.636 2.533) 9.397 5.108 ( 12.059 17.994 -0.376) 21.664 5.555 ( -8.790 -11.653 0.607) 14.609 7.907 ( -0.855 0.829 1.077) 1.605 8.840 ( -1.990 3.234 0.979) 3.922 8.944 ( 2.891 -4.232 -2.543) 5.721 9.697 ( -5.851 5.643 2.101) 8.396 10.094 ( 8.877 -1.349 -1.542) 9.110 13.329 ( -2.155 -2.975 -0.757) 3.750======================= Grid point 92 (64/417) =======================q-point: (-0.31 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.488 ( -4.887 -0.000 0.000) 4.887 2.845 ( 2.530 0.000 -0.000) 2.530 3.054 ( 7.363 0.000 -0.000) 7.363 3.306 ( -6.084 -0.000 0.000) 6.084 5.124 ( -22.220 -0.000 0.000) 22.220 5.531 ( 14.344 0.000 -0.000) 14.344 7.864 ( -3.678 -0.000 0.000) 3.678 8.825 ( -2.619 -0.000 0.000) 2.619 9.009 ( 7.430 0.000 -0.000) 7.430 9.655 ( -3.118 -0.000 0.000) 3.118 10.125 ( -3.359 -0.000 0.000) 3.359 13.356 ( 6.745 0.000 -0.000) 6.745======================= Grid point 103 (65/417) =======================q-point: ( 0.38 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.043 ( 0.000 2.857 -0.258) 2.869 2.158 ( -0.000 3.636 1.468) 3.921 3.044 ( 0.000 -0.544 -7.829) 7.848 3.179 ( 0.000 10.326 -0.475) 10.337 3.791 ( -0.000 2.145 1.731) 2.756 5.677 ( 0.000 17.804 0.881) 17.826 7.556 ( 0.000 2.881 -2.757) 3.988 8.122 ( 0.000 3.636 -6.866) 7.769 9.287 ( 0.000 -10.427 -7.906) 13.085 9.646 ( -0.000 6.518 2.100) 6.848 10.173 ( -0.000 -27.798 7.142) 28.701 14.208 ( 0.000 1.564 -1.644) 2.270======================= Grid point 104 (66/417) =======================q-point: ( 0.44 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.117 ( 5.551 2.215 0.034) 5.977 2.206 ( 2.022 2.393 0.325) 3.150 2.997 ( -0.839 -2.247 -7.040) 7.437 3.392 ( 13.636 8.381 -0.540) 16.014 3.813 ( -1.156 2.211 2.743) 3.707 5.832 ( 0.409 12.000 0.278) 12.011 7.712 ( 15.855 2.279 -1.756) 16.113 8.087 ( -3.368 1.820 -8.370) 9.205 9.187 ( -1.461 -4.227 -1.441) 4.698 9.702 ( -1.749 4.026 0.951) 4.492 9.936 ( 0.421 -21.905 4.334) 22.334 14.155 ( -7.416 1.252 -1.371) 7.645======================= Grid point 105 (67/417) =======================q-point: ( 0.50 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.260 ( 6.358 1.492 3.199) 7.272 2.293 ( 7.730 2.056 -2.922) 8.516 2.934 ( -1.566 -2.132 -4.675) 5.371 3.756 ( 8.958 6.232 -1.129) 10.971 3.834 ( 10.874 1.645 3.188) 11.450 5.925 ( -1.056 6.878 0.317) 6.966 7.952 ( -1.707 2.554 -1.781) 3.551 8.176 ( 24.131 2.240 -3.770) 24.526 9.127 ( -3.391 -0.001 0.543) 3.434 9.614 ( -1.091 -12.862 -0.505) 12.918 9.849 ( 0.138 -1.206 2.230) 2.539 13.973 ( -13.663 0.324 -1.504) 13.750======================= Grid point 106 (68/417) =======================q-point: ( 0.56 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.371 ( 5.367 0.894 1.493) 5.642 2.490 ( 12.141 1.403 -1.480) 12.311 2.872 ( -2.446 -1.220 -2.045) 3.414 3.724 ( -6.051 0.617 1.192) 6.198 4.297 ( 27.406 4.152 0.104) 27.719 5.914 ( -6.164 2.327 0.318) 6.596 7.919 ( -1.699 1.642 -0.351) 2.388 8.626 ( 20.060 2.371 -0.654) 20.210 9.053 ( -6.109 0.372 -0.129) 6.121 9.557 ( 11.106 -8.997 -0.617) 14.307 9.849 ( -2.235 2.385 0.917) 3.394 13.703 ( -16.109 -0.522 -1.140) 16.157======================= Grid point 107 (69/417) =======================q-point: (-0.38 -0.62 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.472 ( 5.169 0.000 -0.000) 5.169 2.707 ( 12.043 0.000 -0.000) 12.043 2.817 ( -2.563 -0.000 0.000) 2.563 3.603 ( -8.300 -0.000 0.000) 8.300 4.795 ( 26.705 0.000 -0.000) 26.705 5.754 ( -13.229 -0.000 0.000) 13.229 7.921 ( 0.163 0.000 -0.000) 0.163 8.841 ( 5.730 0.000 -0.000) 5.730 8.939 ( -5.956 -0.000 0.000) 5.956 9.811 ( -4.040 -0.000 0.000) 4.040 9.818 ( 19.919 0.000 -0.000) 19.919 13.443 ( -12.198 -0.000 0.000) 12.198======================= Grid point 121 (70/417) =======================q-point: ( 0.44 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.082 ( 0.000 1.306 -0.329) 1.347 2.204 ( 0.000 1.023 -0.409) 1.102 2.959 ( 0.000 -2.388 -5.314) 5.826 3.334 ( 0.000 5.359 -0.237) 5.364 3.854 ( -0.000 2.128 2.145) 3.022 5.923 ( 0.000 7.270 -0.428) 7.282 7.561 ( 0.000 -0.003 -2.160) 2.160 8.099 ( 0.000 -0.039 -8.485) 8.485 9.195 ( -0.000 2.003 3.100) 3.691 9.713 ( -0.000 -20.567 1.026) 20.592 9.788 ( -0.000 5.415 1.644) 5.659 14.232 ( 0.000 1.299 -0.530) 1.403======================= Grid point 122 (71/417) =======================q-point: ( 0.50 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.145 ( 6.103 0.708 -0.035) 6.144 2.230 ( 2.444 0.482 -0.385) 2.521 2.922 ( -0.546 -1.355 -2.645) 3.022 3.502 ( 14.427 2.895 -0.208) 14.716 3.861 ( -1.786 0.979 1.287) 2.409 5.979 ( 0.446 3.352 -0.246) 3.391 7.729 ( 19.249 0.501 -0.602) 19.265 8.045 ( -2.995 -0.423 -4.801) 5.675 9.225 ( -3.041 5.861 3.512) 7.479 9.506 ( -2.321 -14.412 -1.257) 14.652 9.850 ( 1.385 2.347 0.858) 2.857 14.170 ( -8.150 0.612 -0.368) 8.181======================= Grid point 123 (72/417) =======================q-point: (-0.44 -0.56 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.292 ( 4.356 0.000 -0.000) 4.356 2.295 ( 10.452 0.000 -0.000) 10.452 2.896 ( -1.363 -0.000 0.000) 1.363 3.818 ( -3.998 -0.000 0.000) 3.998 3.860 ( 24.285 0.000 -0.000) 24.285 5.992 ( -1.405 -0.000 0.000) 1.405 7.972 ( -3.598 -0.000 0.000) 3.598 8.178 ( 29.553 0.000 -0.000) 29.553 9.183 ( -6.802 -0.000 0.000) 6.802 9.404 ( 1.243 0.000 -0.000) 1.243 9.878 ( 0.209 0.000 -0.000) 0.209 13.973 ( -14.439 -0.000 0.000) 14.439======================= Grid point 140 (73/417) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 586Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.094 ( -0.000 0.000 0.000) 0.000 2.210 ( -0.000 0.000 0.000) 0.000 2.915 ( -0.000 0.000 0.000) 0.000 3.387 ( -0.000 0.000 0.000) 0.000 3.884 ( -0.000 0.000 0.000) 0.000 5.988 ( -0.000 0.000 0.000) 0.000 7.551 ( -0.000 0.000 0.000) 0.000 8.064 ( -0.000 0.000 0.000) 0.000 9.322 ( -0.000 0.000 0.000) 0.000 9.420 ( -0.000 -0.000 -0.000) 0.000 9.851 ( -0.000 0.000 0.000) 0.000 14.245 ( -0.000 0.000 0.000) 0.000======================= Grid point 280 (74/417) =======================q-point: ( 0.06 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 408Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.215 ( -0.000 0.000 22.322) 22.322 0.215 ( -0.000 0.000 22.322) 22.322 0.441 ( -0.000 0.000 45.887) 45.887 2.012 ( 0.000 -0.000 -1.472) 1.472 2.012 ( 0.000 -0.000 -1.472) 1.472 4.882 ( 0.000 -0.000 -4.862) 4.862 6.383 ( -0.000 0.000 1.224) 1.224 6.383 ( -0.000 0.000 1.224) 1.224 10.082 ( 0.000 -0.000 -0.665) 0.665 10.082 ( 0.000 -0.000 -0.665) 0.665 13.144 ( -0.000 0.000 0.513) 0.513 13.463 ( 0.000 -0.000 -0.260) 0.260======================= Grid point 281 (75/417) =======================q-point: ( 0.12 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.603 ( 21.394 12.352 7.909) 25.939 0.633 ( 13.861 8.003 22.360) 27.498 1.156 ( 38.460 22.205 16.330) 47.318 2.037 ( 2.801 1.617 -2.207) 3.916 2.176 ( 14.049 8.111 -1.883) 16.331 4.151 ( -6.600 -3.811 6.991) 10.342 6.442 ( 4.711 2.720 1.481) 5.638 8.552 ( 22.861 13.199 -41.273) 48.993 9.985 ( 3.501 2.021 -20.020) 20.424 10.040 ( -3.506 -2.024 -0.558) 4.086 12.980 ( -14.332 -8.274 4.800) 17.231 14.023 ( 17.265 9.968 -26.566) 33.214======================= Grid point 282 (76/417) =======================q-point: ( 0.19 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.025 ( 15.045 8.686 13.941) 22.274 1.110 ( 20.203 11.664 4.374) 23.734 1.959 ( 25.609 14.785 9.546) 31.073 2.132 ( 6.331 3.655 -2.784) 7.822 2.703 ( 32.616 18.831 -0.628) 37.667 4.080 ( -1.825 -1.054 -2.245) 3.079 6.605 ( 8.965 5.176 1.279) 10.430 8.463 ( -14.367 -8.295 -0.071) 16.590 9.926 ( -6.021 -3.476 -0.365) 6.962 10.108 ( 10.625 6.134 -28.752) 31.260 12.593 ( -20.528 -11.852 11.028) 26.143 14.170 ( 3.384 1.954 -16.399) 16.858======================= Grid point 283 (77/417) =======================q-point: ( 0.25 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.408 ( 15.257 8.809 7.975) 19.338 1.529 ( 14.775 8.530 2.947) 17.313 2.320 ( 10.964 6.330 -2.776) 12.961 2.447 ( 16.624 9.598 6.161) 20.161 3.553 ( 38.076 21.983 -0.952) 43.976 4.031 ( -1.369 -0.790 -4.003) 4.304 6.852 ( 11.987 6.921 0.494) 13.850 8.101 ( -15.151 -8.748 -0.040) 17.495 9.777 ( -6.500 -3.753 0.016) 7.506 10.197 ( 3.359 1.939 -22.998) 23.322 12.135 ( -23.090 -13.331 17.491) 31.888 14.116 ( -2.924 -1.688 -15.080) 15.453======================= Grid point 284 (78/417) =======================q-point: ( 0.31 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.776 ( 15.002 8.662 4.789) 17.973 1.804 ( 8.842 5.105 1.535) 10.324 2.606 ( 13.989 8.077 -1.914) 16.266 2.797 ( 12.600 7.275 4.020) 15.095 3.921 ( -2.386 -1.378 -9.043) 9.454 4.429 ( 32.870 18.978 3.197) 38.090 7.139 ( 12.540 7.240 -0.735) 14.499 7.823 ( -7.733 -4.465 -3.934) 9.758 9.647 ( -4.495 -2.595 0.653) 5.231 10.102 ( -5.581 -3.222 -18.576) 19.662 11.637 ( -25.929 -14.970 20.258) 36.150 13.981 ( -3.857 -2.227 -13.802) 14.503======================= Grid point 285 (79/417) =======================q-point: ( 0.38 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.967 ( 5.452 3.148 0.487) 6.314 2.127 ( 14.338 8.278 3.629) 16.949 2.917 ( 12.873 7.432 -1.048) 14.901 3.049 ( 8.663 5.001 0.231) 10.006 3.804 ( -5.363 -3.096 -5.295) 8.148 5.111 ( 25.235 14.569 1.265) 29.166 7.399 ( 10.055 5.805 -1.989) 11.780 7.746 ( 2.728 1.575 -6.258) 7.006 9.589 ( -0.710 -0.410 1.425) 1.643 9.854 ( -10.413 -6.012 -14.383) 18.747 11.051 ( -30.518 -17.620 16.688) 38.991 13.885 ( -0.950 -0.549 -9.580) 9.642======================= Grid point 286 (80/417) =======================q-point: ( 0.44 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.068 ( 3.414 1.971 -0.062) 3.943 2.458 ( 13.492 7.789 3.475) 15.962 3.172 ( 9.336 5.390 -0.529) 10.794 3.185 ( 3.625 2.093 -7.262) 8.382 3.657 ( -6.309 -3.643 1.610) 7.461 5.590 ( 16.360 9.445 0.216) 18.892 7.577 ( 6.082 3.511 -2.639) 7.502 7.905 ( 12.527 7.232 -6.776) 15.973 9.576 ( -9.654 -5.574 -9.270) 14.498 9.617 ( 2.325 1.342 1.919) 3.300 10.353 ( -33.311 -19.232 10.302) 39.820 13.874 ( 1.642 0.948 -4.330) 4.727======================= Grid point 287 (81/417) =======================q-point: ( 0.50 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.126 ( 1.710 0.987 -0.316) 2.000 2.769 ( 12.425 7.174 3.822) 14.848 3.143 ( -3.971 -2.292 -14.934) 15.622 3.335 ( 4.857 2.804 -0.238) 5.614 3.560 ( -3.406 -1.966 8.182) 9.078 5.873 ( 8.365 4.830 -0.143) 9.660 7.669 ( 2.892 1.670 -2.348) 4.082 8.254 ( 19.245 11.111 -7.172) 23.351 9.379 ( -5.824 -3.362 -2.907) 7.326 9.633 ( -29.965 -17.300 5.088) 34.973 9.682 ( 2.200 1.270 1.834) 3.134 13.913 ( 1.947 1.124 -0.231) 2.260======================= Grid point 288 (82/417) =======================q-point: (-0.44 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.145 ( 0.041 0.024 -0.407) 0.409 2.897 ( -7.654 -4.419 -7.743) 11.750 3.107 ( 11.210 6.472 -2.716) 13.226 3.392 ( 0.084 0.049 -0.043) 0.107 3.517 ( -3.304 -1.907 6.772) 7.772 5.972 ( 0.228 0.132 0.234) 0.353 7.704 ( 0.740 0.427 -1.329) 1.580 8.652 ( 8.394 4.846 -6.487) 11.663 9.057 ( -9.105 -5.257 2.998) 10.933 9.367 ( 2.102 1.213 0.776) 2.548 9.709 ( -0.525 -0.303 1.241) 1.381 13.950 ( 0.803 0.464 2.723) 2.877======================= Grid point 289 (83/417) =======================q-point: (-0.38 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.125 ( -1.661 -0.959 -0.400) 1.960 2.642 ( -10.847 -6.263 -8.890) 15.360 3.339 ( -4.653 -2.687 0.145) 5.375 3.388 ( 12.226 7.059 -2.039) 14.264 3.432 ( -5.764 -3.328 6.976) 9.642 5.882 ( -8.224 -4.748 0.865) 9.536 7.693 ( -1.649 -0.952 0.011) 1.904 8.371 ( -17.873 -10.319 4.503) 21.124 9.390 ( 20.847 12.036 -5.018) 24.590 9.545 ( 15.590 9.001 -0.460) 18.008 9.666 ( -3.116 -1.799 0.317) 3.612 13.970 ( 0.025 0.014 5.328) 5.328======================= Grid point 290 (84/417) =======================q-point: (-0.31 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.065 ( -3.480 -2.009 -0.331) 4.032 2.356 ( -11.856 -6.845 -6.652) 15.220 3.182 ( -9.019 -5.207 0.398) 10.422 3.276 ( -8.542 -4.932 1.608) 9.993 3.657 ( 10.491 6.057 1.668) 12.229 5.598 ( -16.892 -9.753 1.118) 19.537 7.616 ( -5.556 -3.208 1.206) 6.528 8.041 ( -11.955 -6.902 6.973) 15.466 9.591 ( -2.787 -1.609 -0.679) 3.289 9.760 ( 14.202 8.200 9.644) 19.025 10.080 ( 28.475 16.440 -17.590) 37.290 13.999 ( 1.000 0.577 7.833) 7.918======================= Grid point 291 (85/417) =======================q-point: (-0.25 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.960 ( -5.736 -3.312 -0.195) 6.627 2.052 ( -13.219 -7.632 -3.868) 15.746 2.935 ( -12.373 -7.143 0.742) 14.306 3.049 ( -11.455 -6.614 0.278) 13.230 3.872 ( 7.618 4.398 1.320) 8.895 5.108 ( -26.186 -15.118 0.955) 30.252 7.437 ( -10.451 -6.034 1.730) 12.191 7.879 ( -3.884 -2.242 7.136) 8.428 9.561 ( 0.867 0.501 -1.311) 1.649 10.122 ( 13.255 7.653 12.615) 19.835 10.668 ( 28.170 16.264 -21.832) 39.175 14.076 ( 3.334 1.925 9.203) 9.976======================= Grid point 292 (86/417) =======================q-point: (-0.19 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.720 ( -15.147 -8.745 -0.961) 17.517 1.790 ( -9.363 -5.406 0.174) 10.813 2.636 ( -13.386 -7.728 1.035) 15.491 2.751 ( -14.497 -8.370 -0.736) 16.755 4.007 ( 3.608 2.083 -0.711) 4.227 4.412 ( -33.975 -19.616 1.919) 39.278 7.161 ( -13.450 -7.766 1.477) 15.601 7.909 ( 4.733 2.732 4.739) 7.233 9.626 ( 4.985 2.878 -1.384) 5.921 10.403 ( 7.286 4.207 10.062) 13.116 11.250 ( 28.265 16.319 -17.224) 36.904 14.199 ( 4.525 2.612 7.819) 9.404======================= Grid point 293 (87/417) =======================q-point: (-0.12 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.348 ( -17.335 -10.008 1.908) 20.108 1.513 ( -15.248 -8.804 1.243) 17.651 2.356 ( -10.719 -6.189 0.854) 12.407 2.374 ( -18.288 -10.558 -1.073) 21.144 3.538 ( -38.125 -22.012 -2.064) 44.072 4.090 ( 0.728 0.420 1.752) 1.943 6.856 ( -12.851 -7.419 0.953) 14.869 8.114 ( 11.852 6.843 1.109) 13.731 9.765 ( 6.993 4.037 -1.169) 8.158 10.508 ( -0.298 -0.172 6.120) 6.130 11.856 ( 27.866 16.088 -8.663) 33.322 14.305 ( 2.540 1.466 3.442) 4.522======================= Grid point 294 (88/417) =======================q-point: (-0.06 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.940 ( -19.047 -10.997 6.078) 22.818 1.101 ( -20.882 -12.056 3.344) 24.344 1.861 ( -28.135 -16.244 -0.120) 32.488 2.160 ( -6.479 -3.741 0.138) 7.483 2.697 ( -31.499 -18.186 -1.184) 36.392 4.099 ( -0.091 -0.052 -0.054) 0.117 6.599 ( -9.478 -5.472 0.682) 10.966 8.437 ( 15.778 9.109 -2.822) 18.436 9.920 ( 6.408 3.700 -0.934) 7.458 10.434 ( -7.005 -4.044 0.942) 8.144 12.452 ( 24.782 14.308 -1.570) 28.659 14.316 ( -1.842 -1.063 -3.647) 4.221======================= Grid point 297 (89/417) =======================q-point: ( 0.12 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.701 ( -0.000 23.636 12.603) 26.786 0.734 ( -0.000 18.258 21.369) 28.107 1.162 ( -0.000 39.919 19.387) 44.378 2.038 ( 0.000 3.649 -2.209) 4.266 2.159 ( 0.000 15.786 -2.965) 16.062 4.171 ( -0.000 -10.386 6.657) 12.336 6.448 ( -0.000 5.608 1.898) 5.921 8.347 ( 0.000 35.878 -44.743) 57.351 10.027 ( 0.000 -4.536 -1.316) 4.723 10.048 ( 0.000 8.613 -15.749) 17.951 12.979 ( -0.000 -18.249 4.664) 18.835 13.919 ( 0.000 21.445 -25.184) 33.078======================= Grid point 298 (90/417) =======================q-point: ( 0.19 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.011 ( 6.058 15.932 18.054) 24.828 1.058 ( 8.624 21.372 9.056) 24.762 1.794 ( 18.930 27.202 12.082) 35.274 2.101 ( 2.804 6.468 -2.833) 7.598 2.494 ( 16.646 26.586 -2.178) 31.443 4.092 ( -1.838 -2.777 -1.351) 3.593 6.563 ( 4.447 8.423 2.018) 9.736 8.478 ( 1.216 -6.934 -7.629) 10.380 9.890 ( -4.573 -4.006 -7.853) 9.931 10.104 ( -0.489 12.809 -19.851) 23.630 12.707 ( -8.877 -22.405 8.714) 25.626 14.081 ( 5.174 8.669 -19.147) 21.645======================= Grid point 299 (91/417) =======================q-point: ( 0.25 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.337 ( 9.136 13.182 12.643) 20.422 1.446 ( 10.468 16.359 5.227) 20.113 2.253 ( 6.659 10.937 -2.741) 13.095 2.312 ( 14.570 14.429 7.119) 21.706 3.214 ( 29.994 31.162 -1.087) 43.265 4.036 ( -1.558 -0.508 -4.510) 4.799 6.776 ( 7.963 11.227 1.704) 13.869 8.248 ( -11.976 -12.427 1.370) 17.312 9.760 ( -1.519 -8.395 -4.394) 9.596 10.149 ( -0.242 9.152 -22.131) 23.950 12.321 ( -13.323 -23.059 14.480) 30.313 14.107 ( -1.509 2.137 -16.268) 16.477======================= Grid point 300 (92/417) =======================q-point: ( 0.31 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.666 ( 11.120 11.477 7.458) 17.635 1.747 ( 7.385 10.370 3.066) 13.095 2.517 ( 9.535 14.881 -2.127) 17.802 2.685 ( 12.251 10.522 5.163) 16.955 3.866 ( 7.587 4.689 -11.946) 14.908 4.157 ( 21.341 21.137 5.098) 30.467 7.058 ( 9.376 13.573 0.877) 16.520 7.927 ( -11.668 -7.529 -1.593) 13.978 9.644 ( -1.228 -7.683 -1.474) 7.919 10.099 ( -3.816 0.162 -19.463) 19.834 11.887 ( -16.979 -22.856 18.416) 33.909 13.998 ( -5.114 -0.420 -14.940) 15.796======================= Grid point 301 (93/417) =======================q-point: ( 0.38 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.937 ( 4.502 7.081 1.659) 8.553 1.996 ( 12.235 10.096 4.196) 16.408 2.827 ( 9.619 13.000 -1.124) 16.211 2.981 ( 8.721 10.519 2.124) 13.828 3.823 ( -2.750 -2.758 -8.047) 8.940 4.850 ( 25.439 20.761 2.471) 32.929 7.352 ( 7.589 14.690 -0.343) 16.538 7.733 ( -3.589 -1.620 -4.555) 6.021 9.570 ( 0.400 -4.660 0.165) 4.680 9.904 ( -8.163 -5.777 -15.881) 18.768 11.379 ( -23.001 -22.426 16.825) 36.263 13.870 ( -2.930 -1.098 -11.409) 11.831======================= Grid point 302 (94/417) =======================q-point: ( 0.44 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.061 ( 2.235 5.999 0.465) 6.419 2.318 ( 12.874 8.564 2.937) 15.739 3.055 ( 6.943 3.794 -3.166) 8.523 3.218 ( 3.784 15.559 -1.499) 16.082 3.711 ( -4.196 -3.624 -1.635) 5.780 5.406 ( 18.241 13.783 1.149) 22.892 7.590 ( 3.174 14.704 -1.497) 15.117 7.756 ( 7.235 3.151 -5.757) 9.768 9.565 ( 2.315 -3.063 0.369) 3.857 9.642 ( -8.516 -6.688 -10.217) 14.888 10.755 ( -29.492 -19.736 10.747) 37.078 13.819 ( 1.705 -1.663 -5.910) 6.372======================= Grid point 303 (95/417) =======================q-point: ( 0.50 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.140 ( 0.367 5.289 -0.129) 5.303 2.628 ( 12.933 7.372 2.212) 15.050 3.102 ( 0.284 -2.424 -11.170) 11.433 3.397 ( -0.517 14.744 -1.387) 14.818 3.622 ( -3.247 -1.656 6.303) 7.281 5.764 ( 11.060 7.556 0.369) 13.400 7.739 ( -1.834 14.411 -2.179) 14.690 7.994 ( 16.824 5.371 -6.065) 18.673 9.413 ( -5.243 -5.666 -6.296) 9.961 9.576 ( -0.457 -8.478 3.522) 9.192 10.105 ( -28.475 -7.839 4.259) 29.840 13.844 ( 4.445 -2.723 -1.083) 5.324======================= Grid point 304 (96/417) =======================q-point: ( 0.56 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.178 ( -1.412 4.420 -0.446) 4.662 2.905 ( 6.172 1.996 1.884) 6.755 2.986 ( 0.716 -0.289 -14.812) 14.833 3.473 ( -2.843 6.206 2.457) 7.256 3.599 ( -4.368 4.502 5.665) 8.452 5.945 ( 4.201 2.175 0.240) 4.737 7.810 ( -5.061 13.546 -2.000) 14.598 8.360 ( 20.989 2.818 -7.177) 22.360 9.249 ( -17.580 -14.420 5.130) 23.309 9.326 ( 0.559 -3.613 -1.419) 3.922 9.838 ( -8.044 8.255 0.628) 11.543 13.894 ( 4.565 -3.819 2.273) 6.371======================= Grid point 305 (97/417) =======================q-point: (-0.38 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.176 ( -3.079 3.192 -0.590) 4.474 2.724 ( -9.303 -5.705 -9.999) 14.801 3.224 ( 12.980 6.112 -3.953) 14.882 3.449 ( -4.622 -0.106 6.018) 7.589 3.562 ( -8.687 6.890 2.800) 11.436 5.951 ( -3.510 -2.571 0.655) 4.399 7.825 ( -7.290 11.663 -1.110) 13.799 8.473 ( -5.060 -15.259 -0.694) 16.091 9.111 ( 13.147 7.067 -3.352) 15.298 9.399 ( 7.808 1.178 3.388) 8.592 9.810 ( -5.624 8.332 -0.880) 10.091 13.935 ( 3.617 -4.176 4.738) 7.278======================= Grid point 306 (98/417) =======================q-point: (-0.31 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.132 ( -4.602 1.559 -0.630) 4.900 2.466 ( -10.815 -5.346 -7.784) 14.357 3.320 ( -5.779 -3.287 -0.031) 6.648 3.422 ( -11.106 6.925 -2.666) 13.357 3.535 ( 8.661 3.792 6.014) 11.205 5.775 ( -12.121 -6.519 1.110) 13.808 7.777 ( -9.847 8.036 0.121) 12.710 8.167 ( -10.610 -12.066 4.968) 16.818 9.466 ( 14.719 -1.621 -4.569) 15.497 9.617 ( 12.791 5.886 6.653) 15.573 9.879 ( 6.856 15.272 -8.981) 18.997 13.974 ( 3.407 -3.130 6.714) 8.154======================= Grid point 307 (99/417) =======================q-point: (-0.25 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.043 ( -6.168 -0.565 -0.644) 6.227 2.197 ( -12.315 -4.565 -4.619) 13.922 3.137 ( -11.545 -3.321 2.114) 12.198 3.215 ( -15.366 1.497 -1.356) 15.499 3.763 ( 9.972 3.673 1.104) 10.684 5.405 ( -21.847 -10.044 1.217) 24.076 7.634 ( -13.527 3.017 1.192) 13.910 7.949 ( -5.927 -6.104 6.505) 10.710 9.516 ( 2.055 -3.785 -1.620) 4.601 9.983 ( 15.511 7.081 11.434) 20.530 10.286 ( 24.443 14.692 -19.848) 34.746 14.044 ( 4.514 -0.888 7.636) 8.915======================= Grid point 308 (100/417) =======================q-point: (-0.19 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.881 ( -11.052 -5.101 -1.158) 12.227 1.936 ( -11.935 -1.475 -0.357) 12.031 2.873 ( -16.905 -1.354 1.840) 17.059 2.933 ( -15.322 -3.894 -1.030) 15.843 3.940 ( 6.673 2.355 -0.751) 7.116 4.830 ( -31.892 -12.932 1.454) 34.445 7.381 ( -16.806 -1.334 1.512) 16.926 7.890 ( 0.932 -0.731 5.331) 5.461 9.538 ( 4.756 -1.538 -1.628) 5.258 10.309 ( 11.405 4.150 6.559) 13.795 10.834 ( 29.583 12.602 -14.720) 35.365 14.157 ( 5.512 1.011 6.247) 8.393======================= Grid point 309 (101/417) =======================q-point: (-0.12 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.577 ( -16.787 -5.441 1.755) 17.734 1.715 ( -13.486 -2.512 1.036) 13.757 2.563 ( -17.217 -1.128 0.951) 17.280 2.604 ( -17.275 -5.451 -0.281) 18.117 3.976 ( -16.907 -3.552 -7.360) 18.779 4.135 ( -20.095 -8.728 6.533) 22.862 7.064 ( -17.026 -3.276 1.269) 17.385 7.995 ( 8.227 2.982 2.537) 9.111 9.638 ( 8.195 -0.466 -1.408) 8.328 10.485 ( 4.960 0.608 -0.020) 4.997 11.450 ( 31.310 11.154 -5.147) 33.634 14.272 ( 4.302 1.056 2.056) 4.884======================= Grid point 310 (102/417) =======================q-point: (-0.06 0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.219 ( -19.783 -4.946 5.644) 21.159 1.406 ( -19.899 -3.192 2.622) 20.323 2.215 ( -22.826 -4.315 1.483) 23.278 2.296 ( -12.352 -1.037 -0.373) 12.401 3.209 ( -42.373 -8.546 -1.212) 43.243 4.093 ( 0.634 -0.299 -0.693) 0.986 6.765 ( -14.118 -2.543 1.019) 14.382 8.234 ( 14.431 4.017 0.111) 14.980 9.785 ( 9.349 -0.310 -1.235) 9.435 10.489 ( -2.695 -2.216 -5.947) 6.896 12.079 ( 30.301 8.226 2.045) 31.464 14.317 ( 0.399 -0.211 -4.324) 4.347======================= Grid point 314 (103/417) =======================q-point: ( 0.19 0.19 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.200 ( -0.000 15.945 18.273) 24.252 1.222 ( -0.000 21.018 8.724) 22.756 1.961 ( -0.000 27.843 10.386) 29.717 2.135 ( 0.000 7.947 -2.878) 8.452 2.661 ( 0.000 37.094 -2.324) 37.167 4.074 ( 0.000 -2.067 -3.011) 3.652 6.628 ( 0.000 11.016 2.266) 11.246 8.368 ( 0.000 -7.737 -3.785) 8.613 9.893 ( -0.000 -7.637 -1.710) 7.826 10.157 ( 0.000 12.198 -25.170) 27.970 12.544 ( -0.000 -28.647 9.477) 30.174 14.076 ( 0.000 10.020 -17.718) 20.355======================= Grid point 315 (104/417) =======================q-point: ( 0.25 0.19 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.425 ( 2.698 14.714 14.372) 20.745 1.499 ( 5.721 16.755 6.882) 18.995 2.264 ( 4.969 12.372 -2.677) 13.598 2.302 ( 7.638 18.545 6.916) 21.215 3.176 ( 14.080 39.133 -2.162) 41.645 4.044 ( -0.845 0.912 -4.365) 4.539 6.799 ( 4.716 13.617 2.346) 14.600 8.250 ( -3.123 -12.203 1.919) 12.741 9.737 ( -6.044 -7.038 -4.380) 10.259 10.175 ( -0.473 6.260 -22.760) 23.610 12.243 ( -4.384 -30.273 12.920) 33.205 14.109 ( -0.444 5.380 -15.571) 16.480======================= Grid point 316 (105/417) =======================q-point: ( 0.31 0.19 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.672 ( 5.671 12.641 9.820) 16.982 1.762 ( 5.756 11.659 4.516) 13.764 2.526 ( 8.213 17.145 -1.748) 19.091 2.629 ( 9.735 13.717 4.885) 17.515 3.739 ( 11.660 15.077 -10.222) 21.628 4.131 ( 8.182 19.409 2.659) 21.230 7.070 ( 7.962 16.582 2.418) 18.553 8.031 ( -9.314 -9.215 0.679) 13.120 9.575 ( -2.318 -7.138 -4.185) 8.593 10.104 ( -3.288 -0.817 -19.446) 19.739 11.885 ( -7.647 -29.976 16.113) 34.880 14.048 ( -5.000 1.755 -14.208) 15.164======================= Grid point 317 (106/417) =======================q-point: ( 0.38 0.19 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.930 ( 7.393 9.615 6.618) 13.817 1.963 ( 5.094 10.006 2.150) 11.432 2.808 ( 6.779 11.523 0.105) 13.370 2.969 ( 10.520 17.937 1.573) 20.854 3.798 ( -0.436 -1.553 -9.693) 9.826 4.695 ( 20.086 26.796 3.243) 33.645 7.396 ( 7.792 18.673 2.107) 20.343 7.805 ( -8.008 -2.759 -2.299) 8.776 9.492 ( 1.302 -5.847 -2.508) 6.494 9.924 ( -6.612 -6.136 -16.264) 18.598 11.478 ( -12.100 -28.728 16.014) 35.045 13.906 ( -6.415 -0.333 -12.130) 13.726======================= Grid point 318 (107/417) =======================q-point: ( 0.44 0.19 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.097 ( 2.566 7.596 2.211) 8.317 2.218 ( 10.096 9.659 2.838) 14.257 2.981 ( 4.951 3.653 -2.138) 6.513 3.325 ( 6.418 22.075 -0.806) 23.004 3.726 ( -2.318 -2.503 -3.486) 4.877 5.258 ( 17.311 18.221 1.917) 25.206 7.649 ( 3.086 6.437 -1.157) 7.232 7.768 ( 0.606 15.872 -1.216) 15.930 9.479 ( 3.071 -4.139 -2.127) 5.575 9.678 ( -7.743 -7.292 -11.217) 15.458 10.990 ( -18.594 -24.976 11.478) 33.186 13.776 ( -2.589 -2.402 -8.095) 8.832======================= Grid point 319 (108/417) =======================q-point: ( 0.50 0.19 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.204 ( 0.429 7.607 0.876) 7.670 2.499 ( 11.344 8.052 1.450) 13.987 3.034 ( 1.644 -1.512 -7.503) 7.829 3.557 ( -1.506 10.178 -2.094) 10.499 3.705 ( -0.889 10.312 4.202) 11.171 5.653 ( 11.866 9.777 1.169) 15.419 7.779 ( 10.154 3.070 -3.230) 11.089 7.967 ( -2.480 21.901 -0.375) 22.044 9.402 ( -3.654 -7.848 -8.758) 12.315 9.538 ( -1.091 -3.614 2.168) 4.354 10.449 ( -21.846 -15.048 4.793) 26.957 13.726 ( 2.908 -4.934 -3.311) 6.615======================= Grid point 320 (109/417) =======================q-point: ( 0.56 0.19 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.267 ( -1.804 7.187 0.002) 7.410 2.775 ( 11.920 6.458 0.376) 13.562 2.962 ( -3.111 -3.553 -11.943) 12.843 3.540 ( -2.153 -2.484 6.037) 6.874 3.845 ( -5.915 21.397 0.896) 22.217 5.878 ( 6.688 2.972 0.778) 7.360 8.021 ( 13.816 1.922 -5.291) 14.919 8.105 ( -4.548 20.589 0.574) 21.093 9.272 ( -0.319 -5.354 -4.135) 6.772 9.384 ( -11.374 -10.118 4.654) 15.918 10.082 ( -12.191 2.160 -0.651) 12.398 13.745 ( 6.260 -6.997 0.603) 9.408======================= Grid point 321 (110/417) =======================q-point: (-0.38 0.19 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.282 ( -3.905 5.736 -0.614) 6.966 2.790 ( -7.400 -3.611 -9.427) 12.517 3.047 ( 12.536 5.558 -4.292) 14.369 3.492 ( -1.876 -5.019 8.942) 10.424 3.899 ( -12.185 20.198 -0.251) 23.590 5.952 ( 1.128 -2.033 0.727) 2.436 8.105 ( -5.931 9.904 -4.144) 12.265 8.291 ( 6.549 0.385 0.210) 6.564 9.109 ( -6.398 -1.372 0.769) 6.588 9.299 ( 5.394 0.168 2.289) 5.862 9.987 ( -6.342 6.686 -2.559) 9.564 13.795 ( 7.043 -7.642 3.337) 10.915======================= Grid point 322 (111/417) =======================q-point: (-0.31 0.19 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.242 ( -5.505 3.100 -1.059) 6.406 2.583 ( -10.038 -1.818 -7.473) 12.646 3.265 ( 7.790 1.245 -7.818) 11.107 3.456 ( 1.476 -3.017 11.420) 11.903 3.824 ( -17.455 16.345 -0.574) 23.920 5.879 ( -5.895 -5.115 0.883) 7.854 8.029 ( -7.007 -0.339 -1.942) 7.279 8.240 ( -10.192 0.740 3.468) 10.792 9.218 ( 12.180 5.780 -3.689) 13.977 9.479 ( 11.040 4.515 5.489) 13.130 9.950 ( -3.071 6.365 -5.841) 9.168 13.856 ( 6.875 -6.447 5.000) 10.669======================= Grid point 323 (112/417) =======================q-point: (-0.25 0.19 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.149 ( -6.626 0.030 -1.232) 6.740 2.366 ( -11.859 -0.032 -4.264) 12.603 3.225 ( -4.771 -4.877 -0.949) 6.888 3.595 ( -4.315 6.546 1.235) 7.937 3.639 ( -6.621 6.715 1.117) 9.496 5.647 ( -14.833 -6.684 0.985) 16.300 7.876 ( -7.028 -4.283 1.318) 8.335 8.065 ( -13.763 3.792 3.550) 14.711 9.414 ( 5.927 -0.379 -2.995) 6.652 9.808 ( 16.618 7.271 10.022) 20.724 10.038 ( 10.732 7.724 -14.335) 19.502 13.941 ( 7.150 -3.881 5.269) 9.692======================= Grid point 324 (113/417) =======================q-point: (-0.19 0.19 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.007 ( -8.429 -1.987 -0.617) 8.682 2.147 ( -12.962 0.718 -1.230) 13.040 3.055 ( -9.393 -4.225 0.532) 10.313 3.306 ( -23.665 5.617 -0.265) 24.324 3.818 ( 9.433 1.696 -0.462) 9.595 5.234 ( -25.437 -7.249 1.079) 26.472 7.690 ( -15.081 0.502 1.518) 15.165 7.904 ( -5.038 -1.531 3.542) 6.346 9.449 ( 2.547 -1.490 -1.907) 3.513 10.145 ( 12.887 2.878 2.029) 13.359 10.419 ( 26.439 9.393 -7.741) 29.106 14.058 ( 7.611 -1.552 3.479) 8.512======================= Grid point 325 (114/417) =======================q-point: (-0.12 0.19 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.807 ( -13.029 -1.847 1.348) 13.228 1.929 ( -12.729 0.007 0.584) 12.742 2.825 ( -13.494 -2.620 0.639) 13.760 2.931 ( -23.269 1.606 0.066) 23.325 3.961 ( 5.892 1.122 -3.114) 6.758 4.644 ( -35.263 -5.914 1.814) 35.802 7.376 ( -20.211 -0.541 1.315) 20.261 7.902 ( 4.412 -0.911 1.499) 4.748 9.502 ( 5.702 -0.494 -1.394) 5.891 10.346 ( 9.937 -0.291 -6.777) 12.031 11.000 ( 30.666 7.834 3.122) 31.805 14.179 ( 6.832 -1.045 -0.517) 6.931======================= Grid point 326 (115/417) =======================q-point: (-0.06 0.19 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.535 ( -17.671 -0.480 3.892) 18.101 1.698 ( -14.924 -0.345 1.838) 15.041 2.543 ( -17.394 -0.800 0.304) 17.415 2.569 ( -19.347 0.686 0.912) 19.381 3.894 ( -34.947 2.507 -5.345) 35.442 4.076 ( -4.561 -2.463 2.674) 5.833 7.035 ( -18.273 -0.568 1.005) 18.309 8.027 ( 10.831 -1.243 -0.075) 10.903 9.624 ( 8.481 0.700 -1.157) 8.589 10.429 ( 4.002 -2.134 -11.297) 12.173 11.621 ( 31.347 4.248 9.245) 32.957 14.251 ( 4.161 -2.009 -5.914) 7.505======================= Grid point 331 (116/417) =======================q-point: ( 0.25 0.25 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.593 ( -0.000 13.137 13.515) 18.848 1.619 ( -0.000 13.825 5.455) 14.862 2.330 ( 0.000 13.584 -2.701) 13.850 2.453 ( -0.000 18.617 5.794) 19.497 3.445 ( 0.000 36.215 -4.437) 36.486 4.071 ( 0.000 7.364 -2.772) 7.869 6.903 ( 0.000 14.737 1.930) 14.863 8.173 ( -0.000 -9.824 3.435) 10.407 9.721 ( -0.000 -8.073 -1.548) 8.220 10.131 ( 0.000 0.873 -26.226) 26.241 11.999 ( -0.000 -33.132 14.212) 36.052 14.125 ( 0.000 5.481 -13.687) 14.744======================= Grid point 332 (117/417) =======================q-point: ( 0.31 0.25 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.764 ( 1.864 11.409 9.279) 14.823 1.796 ( 4.085 9.703 5.084) 11.691 2.544 ( 8.078 16.867 -1.917) 18.800 2.671 ( 3.496 14.861 4.077) 15.802 3.720 ( 3.368 11.640 -10.435) 15.992 4.265 ( 4.391 28.110 2.854) 28.593 7.116 ( 6.246 16.080 1.878) 17.352 8.065 ( -4.122 -7.190 2.436) 8.638 9.576 ( -5.854 -6.172 -3.178) 9.081 10.036 ( 0.310 -5.288 -22.601) 23.213 11.694 ( -2.185 -33.624 15.714) 37.179 14.105 ( -3.253 3.349 -12.106) 12.975======================= Grid point 333 (118/417) =======================q-point: ( 0.38 0.25 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.948 ( 4.339 9.466 7.105) 12.606 1.974 ( 5.156 7.718 2.879) 9.718 2.831 ( 3.837 11.638 0.020) 12.254 2.949 ( 12.984 17.578 0.518) 21.859 3.760 ( 0.347 0.516 -9.187) 9.208 4.729 ( 10.845 31.144 3.085) 33.122 7.438 ( 9.884 17.792 2.483) 20.504 7.912 ( -7.339 -2.432 -0.566) 7.752 9.433 ( -2.455 -4.416 -3.639) 6.227 9.883 ( -2.670 -8.401 -17.466) 19.564 11.354 ( -4.617 -33.100 15.257) 36.738 13.996 ( -7.397 1.153 -10.826) 13.162======================= Grid point 334 (119/417) =======================q-point: ( 0.44 0.25 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.121 ( 4.062 6.431 5.309) 9.275 2.173 ( 7.570 9.151 1.246) 11.941 2.950 ( 2.078 4.034 -2.296) 5.085 3.380 ( 12.727 20.843 -1.259) 24.453 3.729 ( -0.990 -0.059 -3.226) 3.374 5.209 ( 11.943 22.397 2.026) 25.463 7.691 ( -1.498 5.205 -0.098) 5.417 7.901 ( 4.941 16.894 1.175) 17.641 9.380 ( 1.763 -3.883 -4.216) 5.997 9.683 ( -5.099 -7.216 -12.112) 14.992 10.972 ( -7.999 -30.585 12.132) 33.862 13.825 ( -8.101 -1.097 -8.874) 12.066======================= Grid point 335 (120/417) =======================q-point: ( 0.50 0.25 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.258 ( 2.720 6.598 3.183) 7.814 2.409 ( 9.156 8.419 0.229) 12.440 2.976 ( 0.872 -1.110 -5.486) 5.665 3.622 ( -1.197 2.032 -1.927) 3.046 3.849 ( 6.403 20.736 2.662) 21.864 5.574 ( 9.591 11.899 1.384) 15.346 7.702 ( 1.661 3.515 -0.967) 4.006 8.204 ( 2.695 22.217 2.381) 22.506 9.327 ( -0.523 -7.928 -8.637) 11.736 9.550 ( -2.078 -0.338 -2.404) 3.195 10.562 ( -11.074 -23.159 6.656) 26.519 13.666 ( -3.915 -4.134 -5.752) 8.093======================= Grid point 336 (121/417) =======================q-point: ( 0.56 0.25 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.361 ( 0.203 7.017 1.378) 7.154 2.651 ( 10.031 7.050 -1.271) 12.326 2.931 ( -0.967 -3.125 -7.610) 8.284 3.571 ( -3.142 -2.943 4.251) 6.050 4.154 ( -0.352 25.744 0.491) 25.751 5.787 ( 6.731 2.391 1.119) 7.230 7.825 ( 8.206 2.974 -0.699) 8.757 8.417 ( -3.603 20.775 1.694) 21.153 9.199 ( -0.568 -7.279 -6.769) 9.957 9.493 ( -6.855 -1.587 2.779) 7.565 10.238 ( -7.902 -7.777 0.150) 11.088 13.583 ( 2.432 -7.354 -2.108) 8.028======================= Grid point 337 (122/417) =======================q-point: ( 0.62 0.25 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.403 ( -3.107 5.806 -0.319) 6.593 2.839 ( -3.409 -1.808 -5.025) 6.336 2.886 ( 10.256 5.861 -6.009) 13.253 3.497 ( -2.413 -5.775 7.672) 9.901 4.327 ( -9.646 25.519 -0.374) 27.283 5.874 ( 4.469 -4.224 1.030) 6.235 7.978 ( 7.741 -2.986 -1.984) 8.531 8.520 ( -6.233 17.481 2.045) 18.671 9.140 ( 1.318 -5.132 -3.568) 6.388 9.334 ( -8.402 3.018 4.683) 10.081 10.122 ( -4.402 2.426 -3.681) 6.230 13.586 ( 7.248 -8.974 0.979) 11.577======================= Grid point 338 (123/417) =======================q-point: (-0.31 0.25 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.365 ( -5.674 2.508 -1.391) 6.357 2.725 ( -7.893 2.425 -5.351) 9.840 3.097 ( 10.306 3.045 -6.998) 12.824 3.434 ( -0.265 -6.507 10.009) 11.941 4.321 ( -17.806 21.108 -0.626) 27.623 5.870 ( 0.864 -6.601 0.914) 6.720 7.972 ( 0.363 -9.677 -1.772) 9.845 8.558 ( -9.920 13.076 3.017) 16.688 9.128 ( 4.108 2.405 -2.940) 5.595 9.400 ( 5.263 8.360 5.451) 11.283 10.047 ( -5.407 1.666 -5.850) 8.139 13.652 ( 9.333 -8.049 2.702) 12.617======================= Grid point 339 (124/417) =======================q-point: (-0.25 0.25 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.262 ( -6.871 0.110 -1.100) 6.960 2.576 ( -11.409 3.632 -3.273) 12.413 3.201 ( 2.297 -2.099 -5.712) 6.504 3.475 ( 7.428 -1.637 7.191) 10.467 4.134 ( -23.265 13.456 -0.444) 26.879 5.772 ( -5.929 -5.540 0.755) 8.150 7.852 ( -1.714 -8.834 0.424) 9.009 8.437 ( -16.497 8.192 2.370) 18.571 9.298 ( 9.074 4.409 -3.405) 10.648 9.659 ( 11.974 8.662 8.086) 16.846 9.956 ( -1.045 -0.664 -9.277) 9.360 13.759 ( 9.758 -5.406 2.583) 11.451======================= Grid point 340 (125/417) =======================q-point: (-0.19 0.25 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.134 ( -7.650 -0.222 0.336) 7.661 2.384 ( -13.200 2.113 -1.335) 13.434 3.138 ( -4.382 -2.397 -1.846) 5.325 3.649 ( 9.977 0.211 1.537) 10.097 3.801 ( -25.252 5.563 -0.281) 25.859 5.545 ( -15.874 -3.362 0.700) 16.242 7.765 ( -1.039 -4.529 0.920) 4.737 8.184 ( -19.644 2.933 1.747) 19.938 9.412 ( 1.779 1.490 -1.899) 2.999 9.941 ( 10.868 -1.502 -5.171) 12.128 10.092 ( 19.142 7.674 2.776) 20.809 13.891 ( 9.550 -2.966 0.489) 10.011======================= Grid point 341 (126/417) =======================q-point: (-0.12 0.25 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.996 ( -9.237 0.683 2.112) 9.500 2.161 ( -13.703 0.449 0.059) 13.710 3.003 ( -9.030 -0.472 -0.958) 9.093 3.373 ( -25.917 0.156 0.606) 25.925 3.827 ( 9.096 0.003 -2.003) 9.314 5.159 ( -26.746 -0.366 0.928) 26.765 7.682 ( -10.300 -1.014 0.392) 10.357 7.893 ( -9.869 -1.811 -0.179) 10.036 9.438 ( 1.763 1.144 -0.605) 2.187 10.099 ( 13.118 -2.697 -12.417) 18.263 10.591 ( 26.649 5.376 11.451) 29.499 14.020 ( 8.547 -2.294 -3.235) 9.422======================= Grid point 342 (127/417) =======================q-point: (-0.06 0.25 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.829 ( -13.466 2.449 3.516) 14.131 1.932 ( -12.787 -0.166 0.965) 12.824 2.813 ( -13.513 1.154 -0.508) 13.571 2.941 ( -22.837 -0.746 1.082) 22.874 3.945 ( 5.823 -0.266 -4.789) 7.544 4.643 ( -35.313 4.746 1.722) 35.672 7.369 ( -20.115 -0.831 0.581) 20.141 7.858 ( 5.015 -2.796 -2.843) 6.407 9.515 ( 5.360 2.147 -0.114) 5.775 10.236 ( 10.428 -3.184 -14.449) 18.101 11.159 ( 29.785 1.048 15.777) 33.722 14.106 ( 6.468 -3.220 -7.796) 10.629======================= Grid point 348 (128/417) =======================q-point: ( 0.31 0.31 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.849 ( -0.000 7.472 2.320) 7.823 1.890 ( -0.000 9.264 9.518) 13.282 2.623 ( 0.000 16.387 -1.669) 16.472 2.800 ( 0.000 13.290 2.042) 13.446 3.742 ( 0.000 4.239 -10.073) 10.929 4.555 ( 0.000 34.476 3.242) 34.628 7.208 ( 0.000 14.186 0.428) 14.193 8.056 ( -0.000 -3.543 2.104) 4.121 9.581 ( -0.000 -4.552 -0.455) 4.574 9.866 ( 0.000 -10.076 -24.605) 26.588 11.422 ( -0.000 -34.500 15.919) 37.995 14.136 ( 0.000 3.571 -9.911) 10.535======================= Grid point 349 (129/417) =======================q-point: ( 0.38 0.31 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.958 ( 4.229 6.010 1.177) 7.442 2.012 ( 1.499 7.128 7.743) 10.631 2.873 ( 8.821 15.968 -1.321) 18.290 2.926 ( 2.558 9.331 -0.845) 9.712 3.742 ( 0.065 1.655 -7.138) 7.327 4.935 ( 3.719 31.966 2.617) 32.288 7.424 ( 9.284 13.271 0.196) 16.197 7.999 ( -4.527 -0.388 -0.769) 4.609 9.467 ( -6.352 -3.006 -3.512) 7.857 9.729 ( 2.993 -10.266 -16.742) 19.865 11.114 ( -1.601 -34.410 14.594) 37.411 14.097 ( -5.080 2.619 -8.462) 10.211======================= Grid point 350 (130/417) =======================q-point: ( 0.44 0.31 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.118 ( 6.652 5.547 1.522) 8.794 2.138 ( 3.892 5.765 5.075) 8.611 2.968 ( -0.356 3.572 -4.152) 5.488 3.296 ( 16.907 16.520 -1.405) 23.679 3.740 ( -0.272 1.856 -1.968) 2.718 5.306 ( 5.241 24.488 1.762) 25.104 7.746 ( 7.685 10.345 0.559) 12.899 7.939 ( 1.224 6.272 -2.053) 6.712 9.336 ( -2.763 -4.186 -5.498) 7.442 9.631 ( -0.634 -4.803 -9.524) 10.686 10.779 ( -3.032 -33.027 11.842) 35.217 13.959 ( -9.762 1.063 -7.500) 12.357======================= Grid point 351 (131/417) =======================q-point: ( 0.50 0.31 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.262 ( 4.244 4.325 5.255) 8.021 2.330 ( 9.084 6.563 -0.949) 11.247 2.952 ( -0.993 -0.657 -5.570) 5.696 3.645 ( 2.504 5.522 -2.414) 6.526 3.860 ( 12.888 13.922 2.958) 19.201 5.592 ( 4.131 14.864 1.187) 15.473 7.767 ( -3.872 4.520 -0.997) 6.035 8.270 ( 13.687 15.894 1.850) 21.056 9.234 ( -0.966 -7.031 -7.365) 10.228 9.577 ( -1.126 2.680 -4.307) 5.196 10.441 ( -3.616 -28.662 8.153) 30.018 13.752 ( -10.890 -1.188 -6.249) 12.612======================= Grid point 352 (132/417) =======================q-point: ( 0.56 0.31 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.390 ( 3.755 4.229 3.581) 6.694 2.553 ( 9.348 6.738 -2.363) 11.764 2.897 ( -1.177 -2.648 -5.104) 5.869 3.625 ( -4.105 -0.699 2.127) 4.676 4.297 ( 12.681 21.035 0.710) 24.572 5.740 ( 1.627 4.209 0.897) 4.601 7.791 ( 1.178 5.068 0.896) 5.279 8.599 ( 4.806 14.563 2.340) 15.513 9.115 ( -1.253 -7.272 -6.971) 10.151 9.600 ( -2.257 5.797 -0.565) 6.246 10.180 ( -0.078 -17.782 3.177) 18.063 13.548 ( -6.950 -4.223 -4.145) 9.128======================= Grid point 353 (133/417) =======================q-point: ( 0.62 0.31 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.481 ( 0.456 3.880 0.913) 4.012 2.761 ( 8.327 5.259 -3.054) 10.312 2.846 ( 0.045 -0.854 -4.193) 4.279 3.530 ( -5.146 -3.964 4.507) 7.906 4.665 ( 2.219 24.757 -0.160) 24.857 5.753 ( 1.696 -6.425 0.892) 6.705 7.883 ( 3.185 2.299 1.286) 4.133 8.735 ( -2.504 9.211 1.635) 9.684 9.033 ( 1.947 -5.693 -4.606) 7.577 9.561 ( -8.651 6.691 3.489) 11.480 10.127 ( 3.425 -3.086 -2.492) 5.240 13.425 ( 0.529 -6.752 -1.466) 6.929======================= Grid point 354 (134/417) =======================q-point: (-0.31 0.31 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.472 ( -4.463 1.736 -0.975) 4.887 2.829 ( -0.800 1.824 -0.578) 2.074 2.953 ( 7.698 5.528 -7.346) 11.991 3.416 ( -3.130 -6.890 6.932) 10.263 4.817 ( -13.229 23.031 -0.593) 26.567 5.721 ( 5.797 -11.349 0.938) 12.779 7.904 ( -0.821 -3.322 0.188) 3.427 8.768 ( -2.851 6.455 2.162) 7.380 9.035 ( 4.898 -2.991 -3.221) 6.581 9.535 ( -5.014 10.867 5.002) 12.971 10.118 ( -2.981 0.279 -4.963) 5.796 13.427 ( 7.391 -6.669 0.457) 9.966======================= Grid point 355 (135/417) =======================q-point: (-0.25 0.31 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.381 ( -6.606 0.652 -0.188) 6.641 2.785 ( -8.021 3.822 -1.597) 9.028 3.095 ( 6.223 2.602 -7.844) 10.345 3.369 ( 3.448 -5.898 8.167) 10.648 4.661 ( -23.215 11.038 -0.359) 25.708 5.734 ( 4.114 -5.674 0.622) 7.036 7.823 ( -2.898 -4.071 0.423) 5.015 8.726 ( -9.047 2.643 1.619) 9.563 9.152 ( 10.062 1.831 -2.477) 10.523 9.631 ( 3.457 6.513 4.411) 8.592 10.002 ( -7.215 0.065 -4.662) 8.590 13.534 ( 10.517 -4.147 0.365) 11.311======================= Grid point 356 (136/417) =======================q-point: (-0.19 0.31 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.269 ( -7.275 0.886 1.457) 7.472 2.624 ( -12.456 1.346 -0.785) 12.554 3.151 ( 0.606 1.405 -5.126) 5.350 3.471 ( 9.710 -2.402 3.987) 10.768 4.283 ( -25.978 0.219 0.055) 25.979 5.708 ( -4.962 -0.303 0.408) 4.988 7.758 ( -1.900 -0.433 0.420) 1.993 8.518 ( -16.248 -1.216 0.974) 16.323 9.343 ( 8.831 1.796 -2.215) 9.280 9.728 ( 6.276 -7.561 -5.185) 11.110 9.978 ( 4.066 8.138 5.527) 10.645 13.689 ( 10.472 -1.541 -1.668) 10.715======================= Grid point 357 (137/417) =======================q-point: (-0.12 0.31 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.159 ( -7.647 1.314 2.727) 8.224 2.402 ( -13.587 0.222 0.555) 13.600 3.121 ( -4.505 2.362 -3.404) 6.120 3.641 ( 10.564 -1.559 0.450) 10.688 3.805 ( -25.674 -5.251 0.217) 26.206 5.543 ( -15.830 2.749 0.480) 16.074 7.742 ( -1.800 2.574 -1.413) 3.444 8.166 ( -19.899 -5.304 -0.050) 20.594 9.434 ( 1.515 1.105 0.278) 1.895 9.786 ( 12.747 -5.632 -12.019) 18.403 10.275 ( 18.515 2.659 12.512) 22.504 13.838 ( 8.834 -0.576 -4.767) 10.055======================= Grid point 358 (138/417) =======================q-point: (-0.06 0.31 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.045 ( -8.260 1.386 2.853) 8.848 2.175 ( -14.132 1.654 1.730) 14.333 3.024 ( -8.988 3.248 -2.248) 9.818 3.320 ( -23.442 -5.183 0.906) 24.026 3.794 ( 8.896 -1.650 -2.871) 9.492 5.231 ( -25.301 6.465 0.756) 26.125 7.667 ( -13.351 -0.817 -0.856) 13.403 7.825 ( -7.423 -2.390 -4.158) 8.838 9.480 ( 2.074 2.670 1.172) 3.578 9.934 ( 13.928 -4.607 -14.044) 20.308 10.713 ( 26.716 -3.563 16.692) 31.702 13.941 ( 6.406 -1.315 -8.132) 10.435======================= Grid point 365 (139/417) =======================q-point: ( 0.38 0.38 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.972 ( 0.000 4.409 0.546) 4.442 2.084 ( -0.000 5.222 6.370) 8.237 2.928 ( 0.000 14.552 -0.966) 14.584 2.980 ( 0.000 5.112 -4.301) 6.681 3.744 ( 0.000 2.560 -3.938) 4.697 5.219 ( 0.000 28.546 1.884) 28.609 7.437 ( 0.000 8.632 -1.731) 8.803 8.042 ( 0.000 1.707 -3.576) 3.963 9.488 ( 0.000 -12.641 -16.213) 20.558 9.558 ( -0.000 2.167 1.219) 2.486 10.829 ( -0.000 -34.158 12.677) 36.435 14.150 ( 0.000 3.195 -6.480) 7.225======================= Grid point 366 (140/417) =======================q-point: ( 0.44 0.38 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.057 ( 5.051 3.792 0.133) 6.317 2.158 ( 1.582 3.518 5.202) 6.476 2.987 ( -0.666 1.243 -6.440) 6.593 3.173 ( 12.363 13.185 -0.882) 18.096 3.765 ( -0.231 3.125 -0.442) 3.165 5.493 ( 1.540 22.342 1.051) 22.420 7.620 ( 13.042 6.841 -1.550) 14.808 8.009 ( -3.805 2.708 -6.340) 7.874 9.307 ( -2.528 -8.226 -8.028) 11.769 9.603 ( 0.153 3.456 -0.630) 3.516 10.521 ( -1.166 -32.630 9.823) 34.097 14.105 ( -6.593 2.717 -5.436) 8.966======================= Grid point 367 (141/417) =======================q-point: ( 0.50 0.38 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.217 ( 8.769 3.859 0.224) 9.583 2.247 ( 3.688 2.461 4.044) 6.001 2.949 ( -1.335 -0.923 -6.205) 6.414 3.570 ( 16.549 11.863 -1.770) 20.438 3.799 ( 2.200 3.006 2.528) 4.502 5.709 ( 1.093 15.173 0.639) 15.226 7.870 ( -0.868 4.671 -2.563) 5.398 8.076 ( 18.311 6.728 -3.042) 19.743 9.182 ( -2.359 -5.375 -4.359) 7.311 9.627 ( -1.523 4.964 -1.418) 5.383 10.217 ( -1.356 -28.505 7.195) 29.431 13.945 ( -12.186 1.472 -4.898) 13.216======================= Grid point 368 (142/417) =======================q-point: ( 0.56 0.38 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.354 ( 4.820 1.780 3.870) 6.432 2.428 ( 10.717 4.264 -1.132) 11.590 2.890 ( -1.946 -1.538 -4.396) 5.048 3.705 ( -3.575 1.920 0.509) 4.090 4.141 ( 22.634 11.325 0.949) 25.327 5.819 ( -2.306 7.648 0.527) 8.005 7.855 ( -2.163 4.447 -0.909) 5.028 8.517 ( 18.973 8.383 -0.256) 20.744 9.078 ( -3.260 -3.689 -3.384) 5.974 9.658 ( 1.473 4.073 -2.879) 5.200 9.980 ( 0.221 -19.793 5.942) 20.667 13.703 ( -14.077 -0.340 -4.051) 14.652======================= Grid point 369 (143/417) =======================q-point: ( 0.62 0.38 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.463 ( 4.605 1.281 1.886) 5.138 2.652 ( 10.187 4.711 -1.639) 11.343 2.831 ( -1.615 -1.426 -1.950) 2.906 3.619 ( -6.630 -1.143 1.296) 6.852 4.653 ( 21.087 13.486 0.194) 25.031 5.771 ( -7.526 -0.751 0.373) 7.572 7.890 ( 0.797 3.417 1.211) 3.712 8.794 ( 5.218 4.851 0.134) 7.126 8.973 ( -3.209 -3.526 -2.813) 5.536 9.733 ( -1.075 6.134 -1.394) 6.382 9.922 ( 10.430 -9.143 2.888) 14.168 13.460 ( -10.401 -2.157 -2.399) 10.890======================= Grid point 370 (144/417) =======================q-point: ( 0.69 0.38 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.526 ( 0.347 0.848 0.022) 0.917 2.794 ( 1.993 0.267 -0.831) 2.176 2.874 ( 8.097 4.035 -1.285) 9.138 3.473 ( -7.760 -3.498 1.638) 8.668 5.105 ( 11.679 18.050 -0.265) 21.501 5.560 ( -8.437 -11.924 0.450) 14.613 7.916 ( -1.076 0.054 0.798) 1.341 8.850 ( -1.886 3.097 1.238) 3.831 8.920 ( 3.082 -2.864 -2.468) 4.878 9.717 ( -5.042 3.883 1.994) 6.669 10.079 ( 7.844 -0.015 -1.511) 7.988 13.322 ( -1.713 -2.388 -0.580) 2.995======================= Grid point 371 (145/417) =======================q-point: (-0.25 0.38 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.491 ( -4.719 0.733 0.703) 4.827 2.840 ( 2.614 -0.545 -0.991) 2.849 3.041 ( 5.252 6.167 -2.559) 8.495 3.319 ( -4.290 -5.510 2.647) 7.468 5.123 ( -22.185 0.649 -0.207) 22.196 5.533 ( 14.346 -0.800 0.288) 14.371 7.867 ( -3.491 -0.328 0.509) 3.543 8.825 ( -2.501 -1.409 -0.013) 2.871 9.007 ( 7.113 2.103 -0.455) 7.432 9.655 ( -3.186 -3.356 0.137) 4.630 10.125 ( -3.265 3.245 -0.142) 4.605 13.355 ( 6.575 -0.158 -0.314) 6.585======================= Grid point 372 (146/417) =======================q-point: (-0.19 0.38 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.404 ( -6.434 0.634 2.071) 6.788 2.800 ( -6.682 -1.235 0.052) 6.795 3.148 ( 1.144 7.305 -6.902) 10.115 3.298 ( 7.208 -5.692 5.254) 10.581 4.666 ( -23.287 -10.555 0.152) 25.568 5.729 ( 4.299 4.980 0.063) 6.579 7.829 ( -3.033 4.279 0.939) 5.329 8.705 ( -8.782 -5.011 -0.464) 10.122 9.172 ( 9.623 1.257 -0.607) 9.724 9.549 ( 1.328 -11.504 -3.514) 12.101 10.090 ( -4.649 5.079 4.001) 7.964 13.510 ( 9.500 2.507 -1.997) 10.026======================= Grid point 373 (147/417) =======================q-point: (-0.12 0.38 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.299 ( -6.815 -0.271 2.466) 7.253 2.629 ( -11.636 0.293 2.157) 11.837 3.190 ( -1.077 5.605 -7.596) 9.501 3.433 ( 10.809 -3.548 3.794) 11.993 4.142 ( -23.254 -13.170 0.376) 26.727 5.765 ( -5.814 5.007 0.155) 7.674 7.844 ( -3.663 8.860 -0.488) 9.600 8.403 ( -16.331 -10.194 -0.976) 19.276 9.341 ( 9.475 -1.343 0.361) 9.576 9.508 ( 8.087 -8.054 -6.528) 13.149 10.123 ( 3.959 -0.098 7.464) 8.450 13.689 ( 8.242 3.631 -4.329) 9.993======================= Grid point 374 (148/417) =======================q-point: (-0.06 0.38 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.179 ( -6.768 -1.501 1.616) 7.119 2.446 ( -12.829 3.884 3.758) 13.921 3.170 ( -4.685 4.798 -5.948) 8.964 3.593 ( 8.177 -3.897 -0.860) 9.099 3.635 ( -19.000 -10.094 2.092) 21.617 5.639 ( -14.790 6.006 0.220) 15.965 7.839 ( -7.296 7.360 -2.631) 10.692 7.998 ( -16.210 -8.859 -2.862) 18.693 9.467 ( 4.742 1.597 2.363) 5.534 9.612 ( 12.676 -4.454 -9.989) 16.742 10.292 ( 18.213 -9.427 11.323) 23.426 13.824 ( 5.303 2.943 -6.315) 8.756======================= Grid point 382 (149/417) =======================q-point: ( 0.44 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.042 ( 0.000 2.658 -0.060) 2.659 2.184 ( -0.000 1.760 4.052) 4.418 2.972 ( 0.000 -0.720 -7.044) 7.081 3.174 ( 0.000 10.492 -0.535) 10.506 3.804 ( 0.000 3.601 0.879) 3.706 5.682 ( 0.000 17.228 0.061) 17.228 7.530 ( 0.000 2.767 -2.545) 3.760 8.043 ( 0.000 2.169 -9.276) 9.526 9.234 ( 0.000 -5.429 -3.333) 6.370 9.665 ( -0.000 6.635 1.825) 6.881 10.239 ( -0.000 -30.753 6.648) 31.463 14.181 ( 0.000 3.160 -4.028) 5.120======================= Grid point 383 (150/417) =======================q-point: ( 0.50 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.116 ( 5.724 2.206 -0.182) 6.137 2.226 ( 2.125 0.732 3.828) 4.439 2.936 ( -0.606 -1.183 -5.635) 5.790 3.386 ( 13.395 8.529 -0.556) 15.890 3.832 ( -0.868 2.540 1.394) 3.025 5.831 ( 0.650 11.681 -0.354) 11.704 7.697 ( 16.875 2.572 -1.407) 17.128 8.006 ( -2.660 1.972 -8.241) 8.881 9.183 ( -2.070 -0.906 0.515) 2.318 9.710 ( -2.720 3.787 0.584) 4.699 9.976 ( 0.893 -24.391 4.031) 24.738 14.131 ( -7.726 2.598 -3.436) 8.846======================= Grid point 384 (151/417) =======================q-point: ( 0.56 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.270 ( 8.997 1.740 -1.564) 9.296 2.302 ( 5.076 0.531 5.104) 7.218 2.896 ( -1.291 -0.566 -3.306) 3.594 3.742 ( 10.510 6.525 -1.763) 12.496 3.860 ( 9.416 1.142 2.191) 9.734 5.925 ( -0.799 6.770 -0.129) 6.818 7.933 ( -2.826 3.370 -2.020) 4.840 8.146 ( 27.170 2.782 -2.555) 27.431 9.136 ( -4.571 1.763 1.160) 5.034 9.603 ( -1.769 -12.509 -1.637) 12.739 9.876 ( 0.779 -3.714 3.252) 4.998 13.952 ( -13.933 1.590 -2.976) 14.336======================= Grid point 385 (152/417) =======================q-point: ( 0.62 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.382 ( 5.471 -0.300 0.759) 5.531 2.492 ( 11.591 1.780 1.927) 11.884 2.858 ( -2.256 0.329 -0.984) 2.483 3.726 ( -5.781 0.189 -0.833) 5.844 4.300 ( 27.271 3.936 0.399) 27.557 5.915 ( -6.098 2.159 -0.117) 6.470 7.918 ( -1.055 1.950 -0.015) 2.218 8.617 ( 20.300 2.889 -1.209) 20.540 9.054 ( -6.957 0.858 0.350) 7.019 9.541 ( 10.584 -7.673 -2.508) 13.312 9.871 ( -1.411 0.246 3.472) 3.756 13.689 ( -16.081 0.799 -1.889) 16.212======================= Grid point 386 (153/417) =======================q-point: (-0.31 -0.56 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.469 ( 5.137 -1.014 -0.439) 5.254 2.718 ( 11.793 1.257 2.240) 12.069 2.820 ( -2.651 1.072 0.725) 2.950 3.595 ( -8.154 -1.064 -1.756) 8.409 4.797 ( 26.694 -0.023 0.252) 26.695 5.753 ( -13.201 -0.251 -0.371) 13.209 7.920 ( 0.036 -0.902 -0.304) 0.952 8.837 ( 5.651 0.315 -0.808) 5.717 8.943 ( -5.731 1.231 0.982) 5.943 9.754 ( 8.211 0.816 -6.208) 10.326 9.878 ( 7.511 -1.518 6.646) 10.143 13.442 ( -12.055 1.250 -0.166) 12.121======================= Grid point 387 (154/417) =======================q-point: (-0.25 -0.56 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.521 ( 1.902 -1.518 -0.722) 2.539 2.804 ( -0.236 0.983 0.681) 1.219 2.929 ( 10.486 0.258 4.002) 11.226 3.425 ( -9.285 -0.386 -3.369) 9.885 5.112 ( 12.273 -18.061 0.445) 21.841 5.549 ( -8.923 11.510 -0.683) 14.580 7.895 ( -0.368 -1.623 -1.211) 2.058 8.832 ( -2.015 -3.293 -0.665) 3.918 8.968 ( 2.429 5.578 2.273) 6.495 9.679 ( -5.861 -6.621 -1.708) 9.006 10.107 ( 8.965 1.807 1.229) 9.228 13.336 ( -2.611 3.702 0.820) 4.604======================= Grid point 388 (155/417) =======================q-point: (-0.19 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.491 ( -2.973 -2.239 0.720) 3.791 2.830 ( 0.953 0.799 -0.169) 1.255 3.104 ( 9.041 -3.191 7.945) 12.452 3.273 ( -7.179 3.981 -7.664) 11.230 4.826 ( -13.229 -23.002 0.246) 26.536 5.708 ( 6.023 10.993 -0.397) 12.541 7.903 ( 0.971 3.735 0.020) 3.859 8.735 ( -3.758 -7.128 -0.970) 8.116 9.088 ( 4.093 4.789 1.826) 6.559 9.459 ( -6.521 -12.251 -2.391) 14.083 10.186 ( -0.887 0.495 1.875) 2.132 13.420 ( 5.271 6.571 -0.200) 8.426======================= Grid point 389 (156/417) =======================q-point: (-0.12 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.391 ( -5.130 -3.714 1.179) 6.442 2.809 ( -6.010 2.201 3.292) 7.198 3.190 ( 4.273 -2.488 -6.267) 7.983 3.279 ( 3.693 4.266 2.791) 6.295 4.329 ( -17.742 -21.036 0.233) 27.520 5.859 ( 1.085 6.315 -0.113) 6.408 8.000 ( -0.020 11.930 0.843) 11.960 8.509 ( -10.403 -14.181 -1.648) 17.665 9.190 ( 3.760 -1.323 3.074) 5.034 9.296 ( 4.201 -7.875 -4.853) 10.160 10.135 ( -3.340 -3.296 2.910) 5.522 13.603 ( 7.008 7.647 -2.066) 10.576======================= Grid point 390 (157/417) =======================q-point: (-0.06 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.260 ( -5.473 -4.133 0.724) 6.897 2.711 ( -10.574 5.298 5.442) 13.019 3.215 ( 1.930 2.244 -13.375) 13.698 3.411 ( 7.347 -1.394 7.300) 10.450 3.833 ( -17.320 -16.481 0.467) 23.912 5.870 ( -5.961 4.795 -0.019) 7.650 8.064 ( -9.796 4.087 1.307) 10.695 8.150 ( -11.394 -3.663 -5.350) 13.110 9.293 ( 13.254 -4.816 4.017) 14.663 9.371 ( 8.803 -1.847 -5.315) 10.447 10.050 ( 0.877 -10.154 3.896) 10.911 13.772 ( 4.772 6.637 -3.289) 8.812======================= Grid point 399 (158/417) =======================q-point: ( 0.50 0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.081 ( 0.000 1.310 0.043) 1.311 2.220 ( -0.000 -0.266 3.686) 3.696 2.916 ( 0.000 -0.604 -3.717) 3.766 3.332 ( 0.000 5.478 -0.212) 5.482 3.868 ( -0.000 1.857 0.652) 1.968 5.917 ( 0.000 7.306 -0.816) 7.351 7.545 ( 0.000 0.594 -1.176) 1.317 8.030 ( 0.000 2.300 -5.789) 6.229 9.225 ( -0.000 3.576 3.123) 4.748 9.719 ( -0.000 -23.092 0.280) 23.094 9.799 ( 0.000 5.003 0.720) 5.054 14.217 ( 0.000 2.387 -2.703) 3.606======================= Grid point 400 (159/417) =======================q-point: ( 0.56 0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.144 ( 5.925 0.778 -0.109) 5.977 2.250 ( 2.623 -0.659 4.461) 5.217 2.904 ( -0.487 0.655 -1.241) 1.485 3.500 ( 14.277 3.083 -0.199) 14.608 3.866 ( -1.652 0.314 -0.292) 1.707 5.975 ( 0.573 3.621 -0.442) 3.692 7.725 ( 19.561 0.960 -0.262) 19.587 8.017 ( -2.984 2.888 -0.958) 4.261 9.255 ( -3.590 5.412 2.764) 7.058 9.489 ( -2.204 -15.409 -2.353) 15.742 9.855 ( 1.644 1.585 0.369) 2.314 14.157 ( -8.206 1.628 -2.330) 8.684======================= Grid point 401 (160/417) =======================q-point: (-0.38 -0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.272 ( 7.155 -0.365 -1.464) 7.312 2.334 ( 7.341 -0.826 5.376) 9.137 2.901 ( -1.413 1.952 1.179) 2.683 3.803 ( -1.414 1.018 -2.825) 3.319 3.867 ( 21.670 -1.605 1.113) 21.758 5.990 ( -1.454 0.037 -0.339) 1.494 7.974 ( -2.642 0.886 0.504) 2.832 8.187 ( 27.896 1.937 1.862) 28.025 9.179 ( -6.466 -2.880 -0.838) 7.128 9.401 ( 1.083 2.208 -0.782) 2.580 9.881 ( 0.615 -0.974 0.678) 1.337 13.965 ( -14.268 1.164 -1.495) 14.394======================= Grid point 402 (161/417) =======================q-point: (-0.31 -0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.357 ( 5.432 -2.043 -1.290) 5.945 2.516 ( 11.894 -1.408 3.805) 12.567 2.897 ( -2.710 2.918 3.167) 5.088 3.703 ( -6.204 -0.991 -3.284) 7.089 4.298 ( 27.456 -4.392 0.230) 27.806 5.909 ( -6.215 -2.478 -0.711) 6.729 7.924 ( -2.749 -1.647 0.611) 3.263 8.629 ( 19.286 -2.037 -0.100) 19.394 9.057 ( -4.883 0.556 0.672) 4.960 9.553 ( 10.252 9.959 -1.479) 14.369 9.854 ( -1.449 -4.121 1.921) 4.772 13.710 ( -15.727 1.859 0.222) 15.838======================= Grid point 403 (162/417) =======================q-point: (-0.25 -0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.419 ( 5.313 -3.131 -2.403) 6.618 2.707 ( 10.973 -4.281 3.451) 12.274 2.896 ( -2.182 4.249 4.976) 6.897 3.563 ( -7.776 0.230 -4.607) 9.041 4.652 ( 21.368 -13.870 0.140) 25.475 5.759 ( -7.559 0.470 -0.848) 7.621 7.860 ( -0.579 -3.865 -1.746) 4.280 8.777 ( 4.588 -6.256 -1.484) 7.899 9.045 ( -1.999 7.090 4.318) 8.539 9.725 ( -5.982 -2.887 -1.890) 6.906 9.908 ( 15.206 4.547 1.290) 15.924 13.506 ( -10.771 4.346 2.104) 11.804======================= Grid point 404 (163/417) =======================q-point: (-0.19 -0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.449 ( 2.916 -4.556 -2.284) 5.872 2.791 ( 4.436 -4.610 0.856) 6.455 2.980 ( 4.655 2.339 8.756) 10.189 3.425 ( -7.867 3.471 -6.408) 10.724 4.667 ( 2.603 -25.120 0.053) 25.255 5.737 ( 1.673 6.223 -0.695) 6.481 7.854 ( 4.560 -1.184 -1.559) 4.963 8.710 ( -1.927 -10.059 -0.867) 10.278 9.123 ( -0.117 7.811 4.239) 8.888 9.519 ( -10.770 -6.480 -0.527) 12.580 10.141 ( 6.192 1.783 -1.073) 6.533 13.465 ( -1.702 7.627 2.464) 8.194======================= Grid point 405 (164/417) =======================q-point: (-0.12 -0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.400 ( -1.556 -6.259 -0.689) 6.487 2.835 ( 5.039 -2.111 -2.121) 5.861 3.093 ( 2.450 -0.782 11.567) 11.849 3.342 ( -3.936 6.484 -8.008) 11.030 4.330 ( -9.394 -25.799 -0.009) 27.456 5.860 ( 4.731 4.142 -0.351) 6.298 8.003 ( 10.261 5.534 0.265) 11.662 8.500 ( -7.139 -16.698 0.228) 18.162 9.205 ( 0.759 5.290 0.970) 5.432 9.267 ( -11.096 -3.186 0.014) 11.544 10.152 ( -2.447 -3.800 -0.678) 4.570 13.588 ( 4.287 9.141 1.168) 10.163======================= Grid point 406 (165/417) =======================q-point: (-0.06 0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1032Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.288 ( -3.486 -6.037 -0.000) 6.971 2.889 ( 0.908 1.572 -0.000) 1.815 3.115 ( -0.126 -0.218 -0.000) 0.252 3.374 ( 2.123 3.678 0.000) 4.246 3.901 ( -11.997 -20.779 -0.000) 23.994 5.945 ( 1.223 2.118 -0.000) 2.445 8.156 ( -10.739 -18.601 -0.000) 21.478 8.280 ( 8.064 13.968 -0.000) 16.129 9.103 ( -2.176 -3.769 -0.000) 4.352 9.274 ( 1.869 3.237 -0.000) 3.738 10.014 ( -5.124 -8.874 -0.000) 10.247 13.760 ( 4.642 8.040 0.000) 9.284======================= Grid point 417 (166/417) =======================q-point: (-0.44 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.096 ( -0.000 0.052 0.424) 0.427 2.233 ( -0.000 -1.103 4.914) 5.036 2.922 ( -0.000 2.192 1.397) 2.600 3.387 ( -0.000 0.099 0.038) 0.106 3.877 ( 0.000 -0.681 -1.596) 1.736 5.988 ( 0.000 0.463 -0.030) 0.464 7.557 ( -0.000 0.771 1.177) 1.407 8.083 ( -0.000 3.588 3.993) 5.368 9.309 ( 0.000 -8.187 -2.546) 8.573 9.422 ( 0.000 6.113 0.291) 6.120 9.846 ( 0.000 -0.522 -1.087) 1.206 14.234 ( 0.000 0.884 -2.151) 2.326======================= Grid point 418 (167/417) =======================q-point: (-0.38 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.145 ( 5.558 -0.682 0.046) 5.600 2.256 ( 2.570 -2.010 4.841) 5.838 2.954 ( -0.673 3.458 4.017) 5.343 3.504 ( 14.509 -2.703 0.187) 14.760 3.841 ( -1.903 -1.623 -2.901) 3.830 5.980 ( 0.245 -3.238 -0.030) 3.247 7.737 ( 18.066 0.020 1.091) 18.099 8.107 ( -2.978 2.836 7.960) 8.959 9.189 ( -2.338 -5.637 -3.974) 7.283 9.513 ( -2.446 13.415 0.025) 13.636 9.839 ( 1.702 -2.907 -1.238) 3.589 14.164 ( -7.905 0.385 -1.673) 8.089======================= Grid point 419 (168/417) =======================q-point: (-0.31 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.237 ( 5.612 -2.207 -1.699) 6.265 2.329 ( 7.966 -3.125 4.504) 9.670 2.985 ( -1.903 3.717 5.911) 7.237 3.757 ( 0.028 -3.837 -1.782) 4.230 3.806 ( 19.657 -4.155 -1.992) 20.190 5.919 ( -1.293 -7.051 -0.734) 7.206 7.967 ( 0.052 -2.305 1.471) 2.735 8.215 ( 19.380 -2.508 4.014) 19.950 9.126 ( -2.067 2.675 0.397) 3.404 9.612 ( -0.534 13.654 -0.795) 13.687 9.834 ( 0.305 -1.304 -0.791) 1.556 13.980 ( -13.050 0.926 -0.209) 13.085======================= Grid point 420 (169/417) =======================q-point: (-0.25 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.285 ( 4.910 -3.794 -2.748) 6.787 2.476 ( 11.065 -5.075 3.263) 12.603 2.999 ( -2.686 3.217 6.736) 7.933 3.661 ( -5.133 -0.171 -4.231) 6.654 4.128 ( 23.462 -12.510 -0.284) 26.590 5.802 ( -2.345 -7.939 -1.118) 8.353 7.863 ( -5.008 -4.317 -0.057) 6.612 8.503 ( 16.433 -9.894 -1.631) 19.251 9.166 ( -1.188 8.018 5.292) 9.680 9.733 ( 2.212 -4.923 5.322) 7.579 9.865 ( 0.449 18.424 -6.200) 19.444 13.766 ( -13.280 2.968 2.129) 13.773======================= Grid point 421 (170/417) =======================q-point: (-0.19 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.319 ( 4.978 -4.795 -3.497) 7.746 2.596 ( 9.116 -8.456 1.998) 12.594 3.020 ( -0.411 3.250 7.331) 8.030 3.562 ( -6.266 3.084 -4.434) 8.273 4.286 ( 13.224 -21.889 -0.380) 25.576 5.722 ( 1.750 -4.462 -0.947) 4.886 7.772 ( 0.530 -3.373 -0.952) 3.545 8.552 ( 5.308 -15.188 -2.358) 16.261 9.255 ( -1.528 9.464 6.689) 11.690 9.634 ( -6.888 -4.703 3.374) 8.997 10.095 ( 4.163 14.662 -5.609) 16.240 13.631 ( -7.842 5.995 4.073) 10.679======================= Grid point 422 (171/417) =======================q-point: (-0.12 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.323 ( 2.385 -6.292 -2.432) 7.154 2.646 ( 7.851 -8.873 -1.388) 11.929 3.105 ( 3.145 2.820 9.593) 10.482 3.479 ( -6.824 5.776 -5.138) 10.311 4.146 ( 0.173 -26.548 -0.394) 26.551 5.769 ( 6.997 -2.530 -0.600) 7.465 7.839 ( 9.506 -0.099 0.650) 9.529 8.399 ( -1.786 -19.809 -0.016) 19.889 9.323 ( -3.727 8.912 4.323) 10.583 9.467 ( -10.208 1.114 1.644) 10.399 10.184 ( -3.810 5.167 -5.343) 8.352 13.648 ( -0.390 8.036 4.229) 9.089======================= Grid point 434 (172/417) =======================q-point: (-0.38 -0.38 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.087 ( -0.000 -1.357 0.647) 1.503 2.226 ( -0.000 -2.950 4.119) 5.066 3.017 ( -0.000 4.160 6.675) 7.865 3.336 ( -0.000 -5.259 0.226) 5.264 3.826 ( 0.000 -2.282 -3.740) 4.382 5.924 ( -0.000 -7.485 -0.081) 7.485 7.585 ( -0.000 0.379 2.853) 2.878 8.189 ( -0.000 0.617 9.961) 9.981 9.168 ( 0.000 1.085 -2.182) 2.437 9.698 ( 0.000 18.357 -1.976) 18.464 9.768 ( 0.000 -5.641 -2.356) 6.113 14.226 ( 0.000 -0.260 -1.777) 1.796======================= Grid point 435 (173/417) =======================q-point: (-0.31 -0.38 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.115 ( 4.714 -2.362 -0.139) 5.275 2.219 ( 2.348 -4.492 2.957) 5.868 3.069 ( -1.098 2.970 7.921) 8.530 3.396 ( 13.839 -8.260 0.447) 16.123 3.780 ( -1.451 -1.559 -4.135) 4.651 5.826 ( 0.240 -12.431 -0.878) 12.465 7.730 ( 14.697 -2.215 1.909) 14.986 8.160 ( -4.311 -3.611 6.568) 8.646 9.214 ( -1.282 8.954 4.222) 9.982 9.693 ( -0.395 -3.293 -0.784) 3.408 9.892 ( 0.230 19.155 -4.736) 19.733 14.157 ( -6.919 0.028 -0.955) 6.985======================= Grid point 436 (174/417) =======================q-point: (-0.25 -0.38 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.160 ( 4.041 -4.229 -2.494) 6.358 2.263 ( 7.956 -5.877 2.638) 10.237 3.081 ( -2.005 0.158 7.123) 7.401 3.601 ( 19.125 -12.122 1.340) 22.682 3.732 ( -1.097 0.393 -4.279) 4.435 5.688 ( 0.977 -15.799 -1.481) 15.899 7.895 ( 1.131 -5.680 0.216) 5.796 8.116 ( 10.769 -8.336 0.648) 13.634 9.291 ( -2.353 8.409 6.012) 10.601 9.698 ( 1.484 -0.366 6.876) 7.043 10.071 ( -1.571 23.956 -8.116) 25.342 14.006 ( -10.763 1.614 1.160) 10.945======================= Grid point 437 (175/417) =======================q-point: (-0.19 -0.38 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.173 ( 4.606 -5.369 -3.640) 7.955 2.355 ( 9.241 -8.524 1.539) 12.666 3.063 ( -0.784 -1.749 5.441) 5.769 3.674 ( -3.207 3.168 -0.029) 4.508 3.809 ( 16.980 -18.235 -1.693) 24.974 5.566 ( 4.427 -15.303 -1.387) 15.991 7.775 ( -4.511 -3.895 -0.110) 5.961 8.227 ( 11.986 -16.218 -2.470) 20.317 9.355 ( 0.608 5.053 4.514) 6.803 9.725 ( -4.351 2.675 11.125) 12.242 10.266 ( -1.781 25.239 -9.993) 27.204 13.855 ( -10.131 4.073 3.990) 11.625======================= Grid point 438 (176/417) =======================q-point: (-0.12 -0.38 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.189 ( 4.726 -5.867 -3.557) 8.331 2.406 ( 7.987 -10.860 -0.233) 13.483 3.081 ( 3.246 -1.552 4.940) 6.111 3.644 ( -5.832 6.389 0.029) 8.651 3.810 ( 8.308 -24.711 -1.019) 26.090 5.550 ( 9.991 -12.282 -0.977) 15.862 7.728 ( 2.530 -1.377 1.512) 3.253 8.170 ( 4.324 -20.787 -0.940) 21.252 9.429 ( 1.189 3.489 1.567) 4.005 9.675 ( -9.555 6.104 10.726) 15.608 10.389 ( -7.609 19.659 -11.113) 23.830 13.786 ( -5.362 6.041 6.029) 10.080======================= Grid point 451 (177/417) =======================q-point: (-0.31 -0.31 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.047 ( -0.000 -3.122 0.417) 3.150 2.157 ( -0.000 -5.913 1.326) 6.060 3.119 ( -0.000 -0.430 7.672) 7.684 3.183 ( -0.000 -10.208 0.343) 10.214 3.771 ( 0.000 -0.023 -2.539) 2.539 5.665 ( -0.000 -18.396 -1.545) 18.461 7.582 ( -0.000 -3.303 2.552) 4.175 8.170 ( -0.000 -6.323 2.931) 6.970 9.388 ( -0.000 16.463 13.017) 20.987 9.626 ( 0.000 -6.116 -2.059) 6.453 10.102 ( 0.000 24.958 -7.701) 26.119 14.211 ( 0.000 -0.079 -1.070) 1.072======================= Grid point 452 (178/417) =======================q-point: (-0.25 -0.31 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.045 ( 3.371 -4.501 -1.023) 5.716 2.111 ( 2.745 -7.520 0.538) 8.023 3.103 ( -0.871 -5.224 4.989) 7.276 3.186 ( 12.576 -13.030 0.386) 18.113 3.771 ( -1.104 2.803 0.186) 3.018 5.461 ( 1.592 -23.363 -2.139) 23.514 7.643 ( 11.046 -8.088 0.671) 13.707 8.066 ( -4.239 -6.100 -0.472) 7.443 9.459 ( -6.851 4.033 4.562) 9.165 9.714 ( 4.957 10.054 13.678) 17.684 10.324 ( -1.159 27.574 -10.635) 29.577 14.162 ( -5.484 0.954 0.182) 5.569======================= Grid point 453 (179/417) =======================q-point: (-0.19 -0.31 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.033 ( 3.293 -6.833 -3.399) 8.312 2.129 ( 7.361 -8.546 0.618) 11.296 3.035 ( 0.017 -7.875 2.516) 8.267 3.308 ( 17.254 -17.314 -0.067) 24.443 3.786 ( -2.333 4.969 2.474) 6.021 5.267 ( 5.672 -25.284 -2.127) 25.999 7.722 ( 8.088 -12.357 -1.690) 14.865 7.949 ( -0.795 -5.956 -1.011) 6.093 9.408 ( -2.611 2.005 2.500) 4.133 9.906 ( -2.450 11.206 17.425) 20.862 10.544 ( -2.367 29.551 -12.173) 32.047 14.063 ( -8.171 2.877 2.863) 9.124======================= Grid point 454 (180/417) =======================q-point: (-0.12 -0.31 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.025 ( 5.418 -7.147 -3.929) 9.792 2.162 ( 7.369 -11.021 -0.201) 13.259 2.991 ( 3.391 -7.310 1.698) 8.235 3.380 ( 13.215 -22.267 -0.732) 25.903 3.800 ( -3.836 6.393 3.455) 8.217 5.172 ( 12.615 -23.165 -1.639) 26.428 7.686 ( 2.574 -8.548 -0.519) 8.943 7.892 ( 3.003 -11.753 0.049) 12.131 9.429 ( 1.019 2.601 1.342) 3.099 9.961 ( -8.477 9.692 15.442) 20.106 10.717 ( -7.082 27.319 -13.866) 31.445 13.975 ( -7.603 4.555 6.037) 10.723======================= Grid point 468 (181/417) =======================q-point: (-0.25 -0.25 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.962 ( -0.000 -5.560 -0.367) 5.572 2.003 ( -0.000 -9.547 -1.647) 9.688 2.941 ( -0.000 -14.107 0.370) 14.112 3.040 ( -0.000 -10.485 1.770) 10.633 3.822 ( -0.000 4.075 3.839) 5.599 5.171 ( -0.000 -29.641 -2.822) 29.775 7.458 ( -0.000 -10.361 0.415) 10.369 8.042 ( 0.000 -4.697 -3.088) 5.621 9.543 ( 0.000 -0.710 -0.222) 0.744 9.883 ( -0.000 18.570 23.429) 29.896 10.585 ( 0.000 30.201 -12.456) 32.668 14.218 ( 0.000 1.124 0.201) 1.142======================= Grid point 469 (182/417) =======================q-point: (-0.19 -0.25 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.899 ( 1.520 -10.044 -3.374) 10.705 1.940 ( 4.403 -8.659 -0.715) 9.740 2.892 ( 10.548 -16.258 0.322) 19.382 2.925 ( 0.859 -13.085 -0.409) 13.120 3.872 ( -0.713 3.927 5.798) 7.039 4.878 ( 4.078 -33.096 -3.123) 33.493 7.409 ( 7.731 -14.703 -1.249) 16.658 7.974 ( -2.936 -0.866 -3.129) 4.377 9.507 ( -4.506 2.999 1.599) 5.644 10.123 ( -0.976 13.380 20.953) 24.879 10.847 ( -1.373 32.486 -11.876) 34.616 14.200 ( -3.853 2.173 1.825) 4.785======================= Grid point 470 (183/417) =======================q-point: (-0.12 -0.25 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.832 ( 4.918 -11.320 -3.975) 12.966 1.938 ( 6.110 -10.292 -1.275) 12.037 2.830 ( 3.847 -12.736 -0.343) 13.309 2.935 ( 13.356 -19.235 -0.622) 23.426 3.915 ( -1.145 4.171 6.269) 7.616 4.667 ( 11.735 -32.718 -2.943) 34.883 7.392 ( 9.421 -17.959 -2.042) 20.382 7.912 ( -4.611 2.553 -0.662) 5.312 9.485 ( -2.816 4.880 2.007) 5.981 10.230 ( -5.633 8.744 16.092) 19.161 11.078 ( -5.672 31.447 -11.871) 34.088 14.153 ( -5.853 3.476 4.781) 8.319======================= Grid point 485 (184/417) =======================q-point: (-0.19 -0.19 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.751 ( 0.000 -13.969 -4.496) 14.675 1.809 ( -0.000 -9.687 -1.673) 9.830 2.643 ( -0.000 -15.524 0.356) 15.528 2.762 ( -0.000 -16.577 -1.619) 16.656 3.916 ( -0.000 -0.859 7.650) 7.698 4.481 ( -0.000 -35.349 -4.288) 35.608 7.190 ( -0.000 -15.428 -1.363) 15.488 7.995 ( 0.000 3.047 -4.006) 5.033 9.599 ( 0.000 5.511 1.317) 5.667 10.318 ( -0.000 9.823 18.917) 21.315 11.161 ( 0.000 34.608 -8.615) 35.664 14.256 ( -0.000 1.850 1.948) 2.686======================= Grid point 486 (185/417) =======================q-point: (-0.12 -0.19 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.611 ( 3.173 -15.732 -5.218) 16.876 1.731 ( 4.381 -12.275 -2.316) 13.238 2.567 ( 8.068 -15.821 0.202) 17.760 2.611 ( 3.437 -17.335 -1.747) 17.759 3.901 ( 4.930 -15.333 8.384) 18.158 4.191 ( 2.920 -23.206 -5.067) 23.932 7.079 ( 5.627 -16.522 -1.756) 17.542 8.019 ( -2.226 7.473 -2.434) 8.169 9.622 ( -4.547 6.966 1.922) 8.538 10.418 ( -2.683 4.792 13.321) 14.409 11.457 ( -3.695 33.916 -6.309) 34.695 14.264 ( -2.167 2.138 3.608) 4.721======================= Grid point 502 (186/417) =======================q-point: (-0.12 -0.12 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.390 ( 0.000 -18.551 -6.777) 19.750 1.534 ( -0.000 -16.852 -3.084) 17.132 2.358 ( -0.000 -12.554 0.294) 12.557 2.378 ( -0.000 -21.127 -1.684) 21.194 3.514 ( -0.000 -42.274 2.878) 42.372 4.099 ( -0.000 -1.148 -0.096) 1.152 6.868 ( -0.000 -15.051 -1.522) 15.128 8.127 ( 0.000 11.972 -1.595) 12.077 9.752 ( 0.000 8.209 1.528) 8.350 10.498 ( -0.000 -0.209 8.361) 8.364 11.821 ( 0.000 33.932 -1.575) 33.969 14.304 ( -0.000 0.704 3.655) 3.723======================= Grid point 555 (187/417) =======================q-point: ( 0.12 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 417Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.426 ( -0.000 0.000 21.640) 21.640 0.426 ( -0.000 0.000 21.640) 21.640 0.878 ( -0.000 0.000 45.139) 45.139 1.991 ( 0.000 -0.000 -2.930) 2.930 1.991 ( 0.000 -0.000 -2.930) 2.930 4.813 ( 0.000 -0.000 -9.569) 9.569 6.400 ( -0.000 0.000 2.273) 2.273 6.400 ( -0.000 0.000 2.273) 2.273 10.072 ( 0.000 -0.000 -1.240) 1.240 10.072 ( 0.000 -0.000 -1.240) 1.240 13.151 ( -0.000 0.000 0.971) 0.971 13.459 ( 0.000 -0.000 -0.505) 0.505======================= Grid point 556 (188/417) =======================q-point: ( 0.19 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.706 ( 17.374 10.031 13.058) 23.937 0.855 ( 13.274 7.663 22.693) 27.384 1.360 ( 29.775 17.191 26.009) 43.111 2.009 ( 2.727 1.574 -3.555) 4.748 2.151 ( 14.440 8.337 -3.431) 17.023 4.207 ( -12.889 -7.441 3.860) 15.375 6.460 ( 4.579 2.644 2.401) 5.807 8.123 ( 54.950 31.725 -43.670) 77.026 9.843 ( -10.116 -5.841 -10.303) 15.576 10.031 ( -3.371 -1.946 -1.160) 4.062 13.028 ( -11.917 -6.880 5.035) 14.653 13.799 ( 18.419 10.634 -19.350) 28.754======================= Grid point 557 (189/417) =======================q-point: ( 0.25 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.169 ( 18.617 10.749 7.725) 22.843 1.187 ( 11.059 6.385 19.154) 23.020 2.066 ( 22.339 12.897 12.615) 28.715 2.099 ( 6.383 3.685 -3.953) 8.364 2.693 ( 33.707 19.461 -1.384) 38.946 4.049 ( -3.484 -2.011 -4.365) 5.936 6.621 ( 8.621 4.978 2.051) 10.164 8.458 ( -9.196 -5.309 -0.928) 10.659 9.815 ( 11.765 6.793 -31.179) 34.010 9.919 ( -5.824 -3.363 -0.992) 6.798 12.703 ( -17.794 -10.273 11.661) 23.625 13.997 ( 4.971 2.870 -18.996) 19.845======================= Grid point 558 (190/417) =======================q-point: ( 0.31 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.504 ( 12.353 7.132 11.815) 18.521 1.567 ( 13.641 7.876 4.806) 16.469 2.290 ( 11.406 6.585 -3.473) 13.621 2.514 ( 15.401 8.892 7.713) 19.384 3.531 ( 34.914 20.157 -3.753) 40.489 3.992 ( 1.440 0.831 -3.793) 4.141 6.860 ( 11.431 6.600 1.163) 13.251 8.106 ( -16.867 -9.738 1.132) 19.510 9.774 ( -6.193 -3.576 -0.612) 7.178 9.964 ( 6.430 3.713 -25.103) 26.178 12.302 ( -21.170 -12.222 17.225) 29.904 13.958 ( -2.073 -1.197 -17.632) 17.794======================= Grid point 559 (191/417) =======================q-point: ( 0.38 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.822 ( 8.010 4.625 2.177) 9.502 1.830 ( 13.467 7.775 6.498) 16.853 2.587 ( 14.507 8.376 -2.018) 16.872 2.841 ( 11.189 6.460 4.964) 13.841 3.820 ( -0.222 -0.128 -11.736) 11.739 4.464 ( 31.350 18.100 4.041) 36.425 7.134 ( 11.865 6.851 -0.171) 13.702 7.791 ( -9.264 -5.348 -2.537) 10.994 9.650 ( -4.067 -2.348 0.115) 4.698 9.921 ( -3.597 -2.077 -18.853) 19.305 11.819 ( -26.341 -15.208 17.450) 35.067 13.847 ( -2.077 -1.199 -13.906) 14.111======================= Grid point 560 (192/417) =======================q-point: ( 0.44 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.972 ( 5.043 2.912 0.543) 5.849 2.160 ( 13.762 7.946 3.298) 16.230 2.907 ( 13.158 7.597 -0.978) 15.225 3.050 ( 6.116 3.531 -0.362) 7.072 3.750 ( -2.672 -1.543 -5.797) 6.567 5.127 ( 24.538 14.167 2.027) 28.406 7.381 ( 9.491 5.480 -1.666) 11.085 7.693 ( 1.967 1.136 -4.645) 5.170 9.601 ( -0.291 -0.168 1.156) 1.204 9.718 ( -8.443 -4.875 -13.850) 16.937 11.188 ( -32.523 -18.777 11.846) 39.379 13.803 ( 1.298 0.749 -7.176) 7.331======================= Grid point 561 (193/417) =======================q-point: ( 0.50 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.066 ( 3.249 1.876 -0.260) 3.760 2.480 ( 13.457 7.769 1.171) 15.583 3.109 ( 0.080 0.046 -8.556) 8.557 3.168 ( 9.481 5.474 -0.479) 10.958 3.679 ( -2.856 -1.649 2.754) 4.297 5.595 ( 15.914 9.188 0.796) 18.393 7.551 ( 5.911 3.413 -2.760) 7.362 7.844 ( 12.134 7.006 -5.676) 15.118 9.491 ( -7.418 -4.283 -8.463) 12.041 9.637 ( 2.499 1.443 2.104) 3.572 10.431 ( -34.935 -20.170 5.913) 40.771 13.847 ( 3.257 1.880 -1.207) 3.949======================= Grid point 562 (194/417) =======================q-point: ( 0.56 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.121 ( 1.672 0.965 -0.632) 2.032 2.786 ( 13.115 7.572 -0.786) 15.165 3.005 ( -5.532 -3.194 -13.156) 14.625 3.333 ( 4.943 2.854 -0.232) 5.712 3.637 ( -2.532 -1.462 7.883) 8.407 5.873 ( 8.289 4.786 0.182) 9.573 7.643 ( 3.177 1.834 -3.000) 4.740 8.183 ( 18.451 10.653 -7.554) 22.605 9.352 ( -2.801 -1.617 -2.588) 4.143 9.672 ( -31.083 -17.946 3.189) 36.033 9.703 ( 2.045 1.181 2.506) 3.443 13.924 ( 2.887 1.667 2.555) 4.200======================= Grid point 563 (195/417) =======================q-point: (-0.38 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.139 ( 0.077 0.045 -0.755) 0.760 2.798 ( -8.511 -4.914 -12.508) 15.907 3.077 ( 12.726 7.347 -3.421) 15.088 3.391 ( 0.156 0.090 -0.079) 0.197 3.595 ( -3.737 -2.158 8.943) 9.930 5.975 ( 0.455 0.263 0.391) 0.655 7.686 ( 1.349 0.779 -2.417) 2.875 8.568 ( 12.133 7.005 -10.575) 17.553 9.094 ( -13.633 -7.871 4.411) 16.349 9.377 ( 4.061 2.345 1.373) 4.887 9.726 ( -0.951 -0.549 2.254) 2.507 13.987 ( 1.474 0.851 4.882) 5.171======================= Grid point 564 (196/417) =======================q-point: (-0.31 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.120 ( -1.581 -0.913 -0.695) 1.954 2.550 ( -9.716 -5.609 -10.057) 15.067 3.320 ( 7.746 4.472 -8.135) 12.091 3.340 ( -4.565 -2.635 0.064) 5.271 3.540 ( -1.833 -1.058 11.287) 11.483 5.892 ( -7.992 -4.614 1.107) 9.295 7.687 ( -0.902 -0.521 -1.267) 1.640 8.402 ( -15.284 -8.824 1.854) 17.746 9.317 ( 23.282 13.442 -9.115) 28.387 9.564 ( 11.204 6.468 3.574) 13.421 9.675 ( -3.715 -2.145 1.417) 4.518 14.028 ( 0.708 0.409 6.582) 6.632======================= Grid point 565 (197/417) =======================q-point: (-0.25 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.061 ( -3.373 -1.948 -0.466) 3.923 2.291 ( -10.544 -6.088 -6.786) 13.939 3.185 ( -8.893 -5.134 0.237) 10.271 3.275 ( -7.292 -4.210 -1.804) 8.611 3.680 ( 8.814 5.089 2.960) 10.599 5.612 ( -16.901 -9.758 1.668) 19.587 7.623 ( -4.926 -2.844 0.108) 5.689 8.103 ( -11.084 -6.399 5.998) 14.135 9.588 ( -3.367 -1.944 0.190) 3.892 9.846 ( 19.852 11.461 5.915) 23.674 9.906 ( 22.052 12.732 -15.935) 30.039 14.074 ( 1.570 0.906 7.575) 7.789======================= Grid point 566 (198/417) =======================q-point: (-0.19 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.959 ( -5.583 -3.223 -0.000) 6.446 2.019 ( -11.865 -6.850 -2.867) 13.997 2.941 ( -12.223 -7.057 0.415) 14.120 3.052 ( -11.542 -6.664 0.182) 13.329 3.873 ( 7.166 4.137 -0.973) 8.332 5.122 ( -26.241 -15.150 1.988) 30.365 7.451 ( -10.202 -5.890 1.166) 11.838 7.945 ( -4.260 -2.460 6.509) 8.159 9.550 ( 0.562 0.324 -0.925) 1.130 10.209 ( 12.675 7.318 2.258) 14.809 10.481 ( 29.195 16.856 -13.480) 36.306 14.153 ( 3.250 1.876 6.765) 7.736======================= Grid point 567 (199/417) =======================q-point: (-0.12 0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.722 ( -13.901 -8.026 1.566) 16.128 1.796 ( -9.039 -5.218 0.998) 10.485 2.643 ( -13.329 -7.695 0.371) 15.395 2.751 ( -14.744 -8.513 0.711) 17.040 3.978 ( 1.388 0.801 -5.007) 5.257 4.441 ( -32.122 -18.546 3.847) 37.290 7.176 ( -13.546 -7.821 1.538) 15.717 7.954 ( 3.485 2.012 4.493) 6.032 9.612 ( 4.972 2.871 -1.463) 5.925 10.436 ( 7.082 4.089 -4.387) 9.280 11.137 ( 30.201 17.437 -4.780) 35.199 14.251 ( 3.441 1.987 3.041) 5.004======================= Grid point 572 (200/417) =======================q-point: ( 0.19 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.834 ( -0.000 20.038 14.791) 24.906 0.921 ( -0.000 21.737 17.900) 28.159 1.408 ( -0.000 26.377 30.766) 40.526 2.009 ( 0.000 3.756 -3.764) 5.318 2.124 ( 0.000 15.911 -4.241) 16.466 4.215 ( -0.000 -16.170 1.999) 16.293 6.471 ( -0.000 5.542 2.690) 6.160 7.939 ( 0.000 62.227 -37.875) 72.847 9.924 ( 0.000 -3.521 -10.315) 10.899 10.013 ( 0.000 -4.625 -1.676) 4.919 13.026 ( -0.000 -15.715 5.035) 16.502 13.720 ( 0.000 18.874 -16.308) 24.943======================= Grid point 573 (201/417) =======================q-point: ( 0.25 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.138 ( 7.214 20.455 10.718) 24.193 1.214 ( 4.661 12.687 20.474) 24.533 1.933 ( 16.041 21.752 16.757) 31.800 2.067 ( 2.733 6.763 -4.129) 8.382 2.470 ( 17.653 27.621 -2.863) 32.905 4.067 ( -3.191 -4.811 -4.036) 7.044 6.586 ( 4.284 8.374 2.655) 9.773 8.395 ( 9.284 5.085 -9.379) 14.143 9.747 ( -7.624 5.015 -20.447) 22.391 9.979 ( -1.116 0.383 -6.538) 6.643 12.795 ( -7.198 -20.378 9.583) 23.641 13.897 ( 5.664 9.865 -18.619) 21.819======================= Grid point 574 (202/417) =======================q-point: ( 0.31 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.473 ( 6.730 10.753 15.195) 19.794 1.506 ( 8.862 15.295 7.521) 19.211 2.221 ( 6.643 11.528 -3.884) 13.860 2.391 ( 13.668 12.535 8.972) 20.602 3.199 ( 29.307 29.846 -2.172) 41.886 3.986 ( -1.149 0.378 -5.901) 6.024 6.796 ( 7.485 11.307 2.272) 13.749 8.267 ( -12.253 -12.832 2.819) 17.965 9.684 ( 2.357 -4.027 -12.950) 13.765 9.957 ( -1.936 7.833 -16.071) 17.982 12.463 ( -11.284 -21.923 14.817) 28.766 13.940 ( -1.155 3.412 -18.230) 18.582======================= Grid point 575 (203/417) =======================q-point: ( 0.38 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.748 ( 8.995 9.950 9.513) 16.444 1.781 ( 6.159 9.728 3.912) 12.160 2.496 ( 9.898 15.763 -2.267) 18.750 2.739 ( 11.458 9.116 6.138) 15.877 3.745 ( 6.888 4.530 -13.407) 15.739 4.202 ( 22.338 21.603 4.443) 31.391 7.069 ( 8.534 13.818 1.460) 16.307 7.918 ( -13.293 -8.604 -0.198) 15.836 9.619 ( 0.878 -7.662 -3.974) 8.676 9.918 ( -3.448 1.958 -17.697) 18.135 12.057 ( -16.403 -23.087 16.762) 32.910 13.850 ( -4.058 1.084 -15.701) 16.253======================= Grid point 576 (204/417) =======================q-point: ( 0.44 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.952 ( 3.546 7.089 1.521) 8.071 2.041 ( 11.075 9.236 5.115) 15.301 2.818 ( 9.582 13.646 -0.742) 16.690 2.999 ( 7.140 8.516 1.619) 11.230 3.740 ( -0.448 -0.784 -8.913) 8.959 4.876 ( 24.714 20.223 2.938) 32.069 7.351 ( 6.501 15.087 0.224) 16.429 7.697 ( -4.671 -2.134 -2.755) 5.828 9.565 ( 1.587 -4.997 -1.629) 5.490 9.759 ( -6.933 -4.112 -13.895) 16.064 11.521 ( -24.612 -23.608 12.643) 36.372 13.768 ( -0.626 0.230 -9.599) 9.622======================= Grid point 577 (205/417) =======================q-point: ( 0.50 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.065 ( 1.733 6.110 0.274) 6.357 2.341 ( 12.131 8.303 1.873) 14.819 3.023 ( 4.625 1.276 -3.694) 6.055 3.199 ( 3.194 15.970 -2.359) 16.456 3.700 ( -1.011 -1.113 -0.484) 1.580 5.419 ( 17.692 13.539 1.644) 22.339 7.577 ( 2.118 15.321 -1.150) 15.509 7.709 ( 6.573 3.034 -3.965) 8.254 9.515 ( -4.067 -6.394 -9.674) 12.288 9.600 ( 0.553 -1.890 0.504) 2.033 10.835 ( -31.460 -21.040 6.084) 38.333 13.776 ( 3.970 -1.022 -2.880) 5.010======================= Grid point 578 (206/417) =======================q-point: ( 0.56 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.137 ( 0.093 5.407 -0.390) 5.422 2.633 ( 12.491 7.440 -1.339) 14.600 2.999 ( -2.279 -3.456 -9.976) 10.801 3.386 ( 0.316 14.979 -0.945) 15.013 3.681 ( -1.483 -0.607 5.992) 6.203 5.770 ( 10.676 7.549 0.763) 13.098 7.718 ( -2.414 14.948 -2.247) 15.308 7.939 ( 15.806 5.660 -5.201) 17.577 9.357 ( -2.831 -4.640 -5.431) 7.683 9.610 ( 0.184 -7.335 3.496) 8.128 10.131 ( -29.688 -9.628 1.294) 31.238 13.847 ( 5.959 -2.580 1.679) 6.707======================= Grid point 579 (207/417) =======================q-point: ( 0.62 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.173 ( -1.526 4.500 -0.718) 4.806 2.830 ( -4.317 -2.855 -15.573) 16.410 2.924 ( 10.410 4.918 0.109) 11.514 3.488 ( -3.300 10.601 0.850) 11.135 3.662 ( -3.335 0.261 7.101) 7.849 5.949 ( 4.139 2.338 0.448) 4.775 7.788 ( -5.041 14.052 -2.476) 15.133 8.286 ( 19.268 3.915 -8.151) 21.285 9.296 ( -18.131 -15.909 4.380) 24.516 9.317 ( 2.967 -1.288 -0.283) 3.247 9.843 ( -7.365 6.977 0.416) 10.153 13.926 ( 5.538 -3.834 4.291) 7.987======================= Grid point 580 (208/417) =======================q-point: (-0.31 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.169 ( -3.070 3.212 -0.805) 4.516 2.621 ( -8.524 -4.441 -11.244) 14.792 3.173 ( 11.267 5.019 -6.176) 13.794 3.491 ( -7.140 7.500 2.416) 10.633 3.611 ( -5.068 -0.085 7.219) 8.821 5.958 ( -3.305 -2.423 0.809) 4.178 7.810 ( -6.862 12.180 -1.893) 14.108 8.446 ( -0.207 -11.139 -4.895) 12.169 9.090 ( 7.367 4.674 -1.001) 8.782 9.432 ( 9.061 2.041 3.451) 9.909 9.804 ( -5.747 5.989 -0.212) 8.303 13.986 ( 4.385 -4.216 5.821) 8.419======================= Grid point 581 (209/417) =======================q-point: (-0.25 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.125 ( -4.491 1.486 -0.681) 4.779 2.390 ( -9.788 -3.976 -7.824) 13.146 3.289 ( -0.099 -1.666 -5.697) 5.937 3.406 ( -12.930 8.014 -0.726) 15.230 3.604 ( 4.377 0.839 7.563) 8.778 5.787 ( -11.914 -6.571 1.432) 13.681 7.774 ( -9.262 8.584 -0.709) 12.649 8.206 ( -8.705 -11.276 3.082) 14.575 9.413 ( 17.243 1.256 -6.572) 18.496 9.673 ( 12.753 7.331 4.355) 15.341 9.810 ( 2.006 10.048 -4.530) 11.203 14.039 ( 4.055 -3.357 6.487) 8.354======================= Grid point 582 (210/417) =======================q-point: (-0.19 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.038 ( -5.984 -0.812 -0.315) 6.047 2.156 ( -11.115 -3.071 -3.818) 12.147 3.151 ( -10.164 -3.542 0.504) 10.775 3.200 ( -15.700 2.257 -1.604) 15.942 3.770 ( 8.565 2.981 0.404) 9.077 5.420 ( -21.728 -10.263 1.867) 24.102 7.643 ( -13.141 3.475 0.648) 13.608 8.006 ( -5.295 -6.560 5.279) 9.947 9.502 ( 2.537 -4.414 -1.417) 5.285 10.044 ( 13.101 8.180 -9.479) 18.122 10.138 ( 25.213 14.683 0.082) 29.176 14.108 ( 4.762 -1.670 5.620) 7.553======================= Grid point 583 (211/417) =======================q-point: (-0.12 0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.879 ( -10.590 -4.672 0.858) 11.607 1.936 ( -10.740 -0.882 0.243) 10.778 2.888 ( -18.309 0.186 1.180) 18.348 2.925 ( -13.673 -5.389 -0.434) 14.704 3.918 ( 5.585 2.030 -3.704) 7.002 4.850 ( -31.382 -13.047 2.590) 34.085 7.396 ( -16.745 -1.220 1.503) 16.856 7.937 ( 0.620 -1.914 4.428) 4.864 9.522 ( 4.831 -1.814 -1.649) 5.418 10.289 ( 11.332 3.859 -11.470) 16.579 10.770 ( 29.803 14.982 2.245) 33.432 14.198 ( 4.991 -0.493 2.295) 5.516======================= Grid point 589 (212/417) =======================q-point: ( 0.25 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.313 ( -0.000 18.859 9.996) 21.344 1.380 ( -0.000 13.764 18.869) 23.356 2.081 ( -0.000 22.082 14.130) 26.216 2.099 ( 0.000 8.279 -4.472) 9.410 2.640 ( 0.000 38.248 -1.993) 38.300 4.033 ( 0.000 -3.326 -5.699) 6.598 6.652 ( 0.000 10.827 2.609) 11.137 8.336 ( 0.000 0.681 -2.676) 2.761 9.877 ( -0.000 -7.624 -1.745) 7.821 9.900 ( 0.000 10.717 -27.640) 29.645 12.645 ( -0.000 -26.568 11.212) 28.836 13.904 ( 0.000 11.450 -17.750) 21.123======================= Grid point 590 (213/417) =======================q-point: ( 0.31 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.555 ( 3.842 13.934 10.145) 17.659 1.586 ( 2.900 13.045 13.438) 18.952 2.231 ( 5.231 12.942 -4.001) 14.522 2.379 ( 6.995 16.136 8.856) 19.691 3.154 ( 13.526 37.303 -2.544) 39.761 3.994 ( -0.512 2.445 -6.032) 6.529 6.823 ( 4.828 13.452 2.519) 14.512 8.277 ( -3.063 -11.276 3.682) 12.251 9.672 ( -7.899 -2.967 -10.508) 13.477 9.964 ( 2.322 4.097 -19.307) 19.874 12.375 ( -3.603 -28.869 14.364) 32.446 13.950 ( -0.518 7.277 -17.235) 18.715======================= Grid point 591 (214/417) =======================q-point: ( 0.38 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.771 ( 4.525 10.425 9.995) 15.135 1.811 ( 4.547 10.585 6.103) 13.037 2.507 ( 8.814 18.237 -2.091) 20.363 2.681 ( 9.106 11.782 5.952) 16.037 3.633 ( 8.917 11.847 -11.713) 18.896 4.155 ( 10.979 23.124 2.200) 25.693 7.094 ( 7.868 16.686 2.611) 18.632 8.041 ( -10.757 -10.259 1.607) 14.951 9.523 ( -1.431 -5.367 -7.091) 9.007 9.927 ( -1.971 -0.803 -16.845) 16.979 12.041 ( -7.144 -29.885 16.034) 34.659 13.903 ( -4.818 3.801 -15.706) 16.862======================= Grid point 592 (215/417) =======================q-point: ( 0.44 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.984 ( 3.487 8.739 2.409) 9.713 1.998 ( 6.933 9.265 7.189) 13.623 2.811 ( 6.699 12.185 0.547) 13.915 2.982 ( 9.729 15.534 1.092) 18.362 3.702 ( 1.113 1.011 -10.138) 10.249 4.726 ( 19.678 26.090 3.085) 32.824 7.418 ( 7.176 19.035 2.439) 20.488 7.788 ( -9.010 -3.215 -1.120) 9.631 9.459 ( 2.230 -5.565 -4.600) 7.556 9.780 ( -5.370 -5.326 -13.401) 15.388 11.621 ( -13.091 -29.698 13.679) 35.220 13.790 ( -5.133 1.336 -11.811) 12.947======================= Grid point 593 (216/417) =======================q-point: ( 0.50 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.115 ( 1.580 8.120 1.455) 8.399 2.247 ( 9.399 8.489 3.247) 13.075 2.961 ( 3.421 1.758 -2.173) 4.418 3.311 ( 5.775 21.259 -2.208) 22.140 3.698 ( 0.320 0.983 -2.180) 2.413 5.278 ( 17.004 17.847 2.031) 24.734 7.639 ( 1.550 3.928 -0.773) 4.293 7.766 ( 0.428 19.268 0.530) 19.280 9.437 ( 1.893 -5.804 -6.866) 9.188 9.596 ( -3.923 -4.666 -5.582) 8.266 11.082 ( -20.854 -26.102 7.667) 34.278 13.708 ( -0.369 -1.714 -6.005) 6.255======================= Grid point 594 (217/417) =======================q-point: ( 0.56 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.210 ( -0.223 7.954 0.439) 7.969 2.505 ( 10.550 7.433 -0.210) 12.907 2.965 ( -0.427 -2.475 -6.874) 7.318 3.539 ( 0.305 13.181 -1.565) 13.277 3.744 ( -0.393 9.097 3.882) 9.899 5.666 ( 11.594 9.658 1.385) 15.153 7.752 ( 9.102 3.598 -2.231) 10.038 7.968 ( -3.467 22.859 0.442) 23.124 9.321 ( -2.160 -7.126 -7.999) 10.929 9.560 ( 0.768 -3.116 2.320) 3.960 10.478 ( -23.988 -16.285 1.348) 29.025 13.706 ( 4.984 -5.037 -0.843) 7.136======================= Grid point 595 (218/417) =======================q-point: ( 0.62 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.266 ( -2.189 7.309 -0.281) 7.635 2.745 ( 9.353 5.886 -7.462) 13.334 2.876 ( -2.477 -2.860 -4.925) 6.211 3.593 ( -0.766 0.185 5.098) 5.158 3.855 ( -5.996 19.303 1.140) 20.245 5.886 ( 6.466 3.060 1.001) 7.223 7.973 ( 10.996 3.210 -4.694) 12.380 8.111 ( -3.985 21.297 0.520) 21.673 9.236 ( 1.697 -4.935 -3.387) 6.222 9.430 ( -10.904 -10.102 4.758) 15.607 10.066 ( -12.480 1.207 -2.598) 12.804 13.760 ( 7.748 -7.372 2.462) 10.974======================= Grid point 596 (219/417) =======================q-point: (-0.31 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.275 ( -4.049 5.613 -0.731) 6.959 2.690 ( -6.979 -1.342 -11.157) 13.229 3.008 ( 10.895 4.106 -3.793) 12.245 3.577 ( -1.040 -3.973 8.555) 9.490 3.896 ( -12.197 19.582 -0.384) 23.073 5.960 ( 1.068 -1.899 0.921) 2.366 8.065 ( -3.149 6.724 -4.126) 8.494 8.287 ( 3.447 7.459 -1.179) 8.301 9.119 ( -6.605 -3.920 1.332) 7.795 9.323 ( 5.817 1.491 2.677) 6.574 9.960 ( -6.072 5.069 -2.968) 8.448 13.831 ( 8.066 -8.093 4.191) 12.171======================= Grid point 597 (220/417) =======================q-point: (-0.25 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.233 ( -5.448 2.801 -0.868) 6.187 2.511 ( -9.432 0.326 -7.535) 12.077 3.190 ( 7.578 1.215 -7.801) 10.944 3.558 ( 1.008 -3.270 9.969) 10.540 3.817 ( -17.381 16.217 -0.745) 23.783 5.889 ( -5.797 -5.146 1.135) 7.835 8.011 ( -5.490 0.151 -1.807) 5.782 8.264 ( -9.859 2.665 1.472) 10.318 9.184 ( 10.539 5.479 -3.305) 12.329 9.529 ( 12.028 5.725 4.784) 14.154 9.897 ( -4.330 3.794 -5.019) 7.638 13.903 ( 7.578 -7.166 4.610) 11.403======================= Grid point 598 (221/417) =======================q-point: (-0.19 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.141 ( -6.453 -0.009 -0.345) 6.462 2.327 ( -11.059 1.747 -3.947) 11.872 3.199 ( -2.250 -3.679 -4.360) 6.132 3.609 ( -18.401 10.525 1.045) 21.224 3.656 ( 4.482 1.334 2.643) 5.372 5.658 ( -14.684 -6.928 1.404) 16.297 7.886 ( -6.667 -3.046 0.925) 7.389 8.095 ( -12.915 2.837 2.641) 13.485 9.383 ( 6.923 0.239 -3.559) 7.788 9.892 ( 16.623 11.455 -2.485) 20.340 9.912 ( 8.244 3.463 -1.621) 9.087 13.983 ( 7.469 -5.210 3.456) 9.740======================= Grid point 599 (222/417) =======================q-point: (-0.12 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.011 ( -8.138 -1.386 1.324) 8.361 2.136 ( -12.064 1.520 -0.968) 12.198 3.053 ( -8.391 -4.308 -1.039) 9.489 3.306 ( -23.745 5.971 0.178) 24.485 3.807 ( 7.972 1.234 -1.816) 8.269 5.248 ( -25.155 -7.548 1.777) 26.323 7.705 ( -15.087 0.551 1.740) 15.197 7.932 ( -4.725 -2.906 2.416) 6.050 9.429 ( 2.722 -1.299 -2.100) 3.675 10.069 ( 12.225 2.285 -15.200) 19.639 10.438 ( 26.391 12.195 9.059) 30.451 14.076 ( 7.354 -3.572 0.294) 8.181======================= Grid point 606 (223/417) =======================q-point: ( 0.31 0.31 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.674 ( -0.000 11.811 5.869) 13.189 1.728 ( -0.000 10.616 14.439) 17.922 2.298 ( 0.000 14.528 -3.781) 15.012 2.515 ( -0.000 16.355 7.171) 17.858 3.397 ( 0.000 31.560 -5.624) 32.057 4.041 ( 0.000 12.018 -3.484) 12.513 6.921 ( 0.000 14.249 1.697) 14.350 8.211 ( -0.000 -10.011 4.642) 11.035 9.707 ( -0.000 -7.813 -1.194) 7.904 9.868 ( 0.000 2.377 -28.049) 28.149 12.144 ( -0.000 -32.058 15.816) 35.747 13.983 ( 0.000 7.794 -15.710) 17.537======================= Grid point 607 (224/417) =======================q-point: ( 0.38 0.31 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.822 ( 3.454 8.445 4.070) 9.991 1.881 ( 1.617 9.045 11.130) 14.433 2.524 ( 8.452 17.646 -2.384) 19.711 2.713 ( 3.327 12.641 4.782) 13.919 3.616 ( 2.689 10.512 -11.219) 15.608 4.288 ( 5.080 30.273 2.077) 30.766 7.132 ( 6.814 15.555 1.486) 17.047 8.088 ( -5.114 -8.502 2.230) 10.169 9.535 ( -7.162 -4.663 -5.891) 10.380 9.833 ( 3.085 -4.802 -18.642) 19.496 11.849 ( -2.288 -33.606 16.340) 37.438 13.978 ( -3.435 5.807 -14.119) 15.648======================= Grid point 608 (225/417) =======================q-point: ( 0.44 0.31 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.988 ( 5.520 7.544 2.295) 9.625 2.033 ( 2.879 7.460 8.164) 11.428 2.833 ( 4.358 11.181 0.458) 12.009 2.950 ( 12.269 15.532 -0.347) 19.797 3.672 ( 1.158 3.541 -8.964) 9.708 4.756 ( 10.737 30.629 2.524) 32.555 7.461 ( 10.514 17.459 2.124) 20.491 7.904 ( -7.963 -3.375 -1.040) 8.711 9.391 ( -2.335 -3.784 -5.228) 6.863 9.734 ( -1.355 -7.346 -13.228) 15.191 11.497 ( -5.301 -34.076 14.473) 37.400 13.886 ( -7.246 3.289 -11.878) 14.297======================= Grid point 609 (226/417) =======================q-point: ( 0.50 0.31 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.160 ( 3.653 7.495 2.277) 8.643 2.198 ( 6.704 6.904 4.283) 10.533 2.929 ( 1.452 1.856 -2.204) 3.227 3.361 ( 11.975 19.651 -2.593) 23.158 3.704 ( 1.165 4.108 -1.900) 4.674 5.228 ( 11.808 21.975 1.751) 25.008 7.689 ( -2.697 3.634 -0.312) 4.537 7.915 ( 6.458 18.442 1.561) 19.603 9.329 ( 1.047 -4.819 -6.286) 7.989 9.587 ( -3.038 -5.066 -7.665) 9.678 11.079 ( -9.704 -31.769 10.041) 34.703 13.741 ( -7.072 0.169 -8.415) 10.993======================= Grid point 610 (227/417) =======================q-point: ( 0.56 0.31 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.284 ( 1.534 7.437 2.201) 7.906 2.412 ( 8.807 6.821 0.358) 11.145 2.926 ( -0.035 -1.899 -4.850) 5.208 3.604 ( 1.061 5.452 -1.831) 5.849 3.874 ( 5.662 19.115 2.486) 20.090 5.587 ( 9.556 11.644 1.274) 15.117 7.696 ( 1.544 4.110 -0.264) 4.399 8.228 ( 2.278 22.600 2.574) 22.860 9.243 ( -0.920 -7.776 -8.459) 11.527 9.536 ( 0.763 0.442 -0.849) 1.225 10.613 ( -13.632 -24.052 4.021) 27.937 13.618 ( -2.155 -3.895 -4.185) 6.110======================= Grid point 611 (228/417) =======================q-point: ( 0.62 0.31 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.371 ( -0.776 7.312 0.788) 7.395 2.628 ( 9.042 6.206 -3.452) 11.497 2.871 ( -1.620 -2.475 -4.869) 5.697 3.609 ( -1.294 -1.832 3.654) 4.288 4.159 ( -0.753 25.175 0.410) 25.190 5.797 ( 6.748 2.281 1.132) 7.213 7.819 ( 7.120 3.970 -0.360) 8.160 8.435 ( -4.160 21.119 2.129) 21.630 9.139 ( 0.951 -6.562 -5.637) 8.703 9.521 ( -5.179 -1.425 3.103) 6.203 10.227 ( -10.127 -8.584 -2.257) 13.466 13.571 ( 4.206 -7.711 -0.454) 8.795======================= Grid point 612 (229/417) =======================q-point: ( 0.69 0.31 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.399 ( -3.603 5.487 -0.566) 6.588 2.755 ( -2.369 3.481 -9.949) 10.803 2.866 ( 7.531 1.735 -0.725) 7.762 3.566 ( -0.992 -5.438 6.844) 8.798 4.322 ( -9.833 25.364 -0.520) 27.209 5.885 ( 4.440 -4.244 1.145) 6.248 7.959 ( 6.096 -1.521 -2.058) 6.611 8.542 ( -5.909 17.894 2.396) 18.996 9.109 ( 2.377 -5.452 -2.788) 6.569 9.380 ( -8.236 3.261 4.887) 10.116 10.079 ( -4.718 1.779 -5.184) 7.231 13.600 ( 8.534 -9.558 1.841) 12.945======================= Grid point 613 (230/417) =======================q-point: (-0.25 0.31 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.353 ( -5.695 2.370 -0.988) 6.247 2.670 ( -7.998 5.051 -5.900) 11.148 3.034 ( 9.078 1.779 -6.233) 11.155 3.525 ( 0.674 -6.357 8.795) 10.873 4.314 ( -17.804 21.189 -0.715) 27.685 5.879 ( 0.819 -6.692 1.120) 6.835 7.955 ( 0.466 -7.927 -1.595) 8.099 8.586 ( -9.993 13.130 2.752) 16.728 9.102 ( 4.029 1.381 -2.466) 4.922 9.450 ( 5.396 9.524 4.972) 12.022 9.989 ( -5.786 0.622 -6.149) 8.467 13.676 ( 10.051 -8.965 2.358) 13.673======================= Grid point 614 (231/417) =======================q-point: (-0.19 0.31 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.257 ( -6.680 0.705 0.127) 6.718 2.543 ( -11.063 5.168 -3.560) 12.719 3.137 ( 4.095 -0.998 -7.246) 8.383 3.546 ( 5.068 -3.419 7.357) 9.566 4.130 ( -23.182 13.678 -0.372) 26.919 5.780 ( -5.898 -5.774 1.057) 8.321 7.857 ( -1.176 -8.297 0.448) 8.392 8.461 ( -16.600 7.908 2.527) 18.560 9.261 ( 8.980 4.628 -4.272) 10.969 9.734 ( 13.486 9.743 7.468) 18.237 9.869 ( -3.275 -1.284 -8.624) 9.314 13.777 ( 9.972 -6.895 1.056) 12.170======================= Grid point 615 (232/417) =======================q-point: (-0.12 0.31 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.145 ( -7.387 0.605 2.090) 7.701 2.370 ( -12.690 3.035 -1.545) 13.139 3.109 ( -2.809 -2.036 -4.104) 5.374 3.665 ( 8.417 -0.754 1.626) 8.606 3.800 ( -25.802 5.807 0.190) 26.448 5.554 ( -15.710 -3.633 1.148) 16.166 7.772 ( -0.971 -5.313 0.564) 5.430 8.204 ( -19.774 2.315 2.257) 20.037 9.390 ( 2.616 2.408 -2.892) 4.583 9.841 ( 7.891 -2.816 -12.560) 15.098 10.168 ( 20.967 10.479 10.094) 25.521 13.884 ( 9.266 -4.951 -1.892) 10.674======================= Grid point 623 (233/417) =======================q-point: ( 0.38 0.38 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.871 ( -0.000 6.252 2.205) 6.630 1.986 ( -0.000 7.307 10.201) 12.548 2.605 ( 0.000 17.074 -2.062) 17.198 2.819 ( 0.000 10.431 2.141) 10.648 3.644 ( 0.000 6.113 -10.219) 11.908 4.582 ( 0.000 34.578 2.407) 34.662 7.209 ( 0.000 13.349 -0.186) 13.350 8.068 ( -0.000 -5.499 0.188) 5.502 9.579 ( -0.000 -3.970 0.127) 3.972 9.643 ( 0.000 -7.739 -21.364) 22.722 11.576 ( -0.000 -35.329 16.129) 38.837 14.030 ( 0.000 6.126 -12.088) 13.551======================= Grid point 624 (234/417) =======================q-point: ( 0.44 0.38 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.969 ( 4.166 5.223 1.101) 6.771 2.090 ( 1.295 5.642 8.319) 10.135 2.861 ( 8.869 15.963 -1.202) 18.300 2.913 ( 2.518 6.532 -1.632) 7.188 3.676 ( 0.553 4.990 -6.540) 8.245 4.957 ( 3.677 31.499 1.860) 31.768 7.423 ( 10.171 12.484 -0.417) 16.108 7.980 ( -4.669 -2.278 -3.409) 6.213 9.414 ( -5.662 -4.586 -7.668) 10.577 9.612 ( 2.762 -5.354 -7.328) 9.487 11.252 ( -1.949 -36.040 14.176) 38.777 14.006 ( -5.284 4.933 -10.253) 12.545======================= Grid point 625 (235/417) =======================q-point: ( 0.50 0.38 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.123 ( 7.200 5.461 0.370) 9.044 2.199 ( 2.840 4.413 6.679) 8.494 2.928 ( -0.297 1.385 -3.915) 4.164 3.280 ( 16.346 16.441 -1.836) 23.256 3.724 ( 1.061 4.906 -1.490) 5.237 5.321 ( 5.229 24.077 1.192) 24.667 7.746 ( 6.498 8.642 -0.555) 10.826 7.913 ( 4.625 6.418 -3.234) 8.546 9.278 ( -2.479 -5.063 -6.106) 8.310 9.567 ( -1.331 -1.150 -4.288) 4.635 10.888 ( -3.790 -34.790 10.904) 36.655 13.882 ( -9.769 2.818 -8.401) 13.188======================= Grid point 626 (236/417) =======================q-point: ( 0.56 0.38 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.310 ( 4.385 5.527 3.765) 7.997 2.325 ( 7.847 4.447 0.719) 9.048 2.903 ( -0.839 -1.229 -4.513) 4.752 3.622 ( 4.015 7.724 -2.387) 9.027 3.886 ( 12.176 13.166 2.316) 18.082 5.602 ( 4.155 14.615 0.824) 15.217 7.755 ( -2.714 4.559 -1.495) 5.512 8.284 ( 15.000 15.339 1.047) 21.480 9.168 ( -1.843 -6.330 -6.139) 9.008 9.547 ( -0.609 3.799 -2.116) 4.391 10.513 ( -5.091 -29.760 6.927) 30.977 13.693 ( -10.296 -0.189 -6.067) 11.952======================= Grid point 627 (237/417) =======================q-point: ( 0.62 0.38 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.422 ( 2.563 4.150 2.975) 5.713 2.531 ( 8.699 6.225 -2.188) 10.919 2.856 ( -1.056 -1.941 -3.413) 4.066 3.641 ( -2.754 -0.072 1.173) 2.995 4.304 ( 12.297 20.624 0.639) 24.020 5.748 ( 1.719 4.031 0.671) 4.433 7.799 ( 1.764 5.580 0.677) 5.892 8.619 ( 5.194 13.882 1.781) 14.928 9.056 ( -1.333 -6.026 -5.284) 8.125 9.598 ( -0.269 5.875 -0.039) 5.882 10.204 ( -3.014 -18.206 2.015) 18.563 13.513 ( -5.759 -3.914 -3.197) 7.662======================= Grid point 628 (238/417) =======================q-point: ( 0.69 0.38 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.486 ( -0.710 3.549 0.272) 3.630 2.724 ( 7.512 6.336 -4.252) 10.707 2.821 ( -0.330 -0.423 -1.392) 1.491 3.568 ( -3.459 -4.355 3.529) 6.587 4.663 ( 1.914 24.630 -0.212) 24.705 5.761 ( 1.898 -6.562 0.793) 6.877 7.893 ( 2.533 2.769 0.930) 3.866 8.751 ( -2.204 8.695 1.730) 9.135 8.993 ( 2.419 -5.086 -3.642) 6.707 9.598 ( -7.174 6.786 4.144) 10.709 10.096 ( 1.345 -2.981 -3.935) 5.117 13.416 ( 1.746 -6.888 -0.576) 7.129======================= Grid point 629 (239/417) =======================q-point: (-0.25 0.38 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.464 ( -4.640 2.096 -0.515) 5.118 2.817 ( -2.862 4.887 -1.993) 6.004 2.889 ( 7.512 3.691 -5.617) 10.080 3.478 ( -1.206 -7.455 6.030) 9.664 4.811 ( -13.271 23.040 -0.644) 26.597 5.731 ( 5.834 -11.488 1.001) 12.924 7.907 ( -1.330 -2.691 0.378) 3.025 8.789 ( -2.466 5.948 2.220) 6.811 9.004 ( 5.025 -2.711 -3.013) 6.456 9.585 ( -4.572 10.116 5.491) 12.385 10.065 ( -3.803 1.294 -5.946) 7.176 13.432 ( 7.987 -7.228 0.477) 10.783======================= Grid point 630 (240/417) =======================q-point: (-0.19 0.38 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.384 ( -6.402 1.571 0.926) 6.657 2.766 ( -8.661 5.183 -2.436) 10.383 3.020 ( 6.260 2.368 -7.656) 10.169 3.445 ( 3.643 -6.757 7.510) 10.739 4.657 ( -23.092 11.274 -0.371) 25.700 5.742 ( 4.088 -5.985 0.836) 7.296 7.830 ( -2.900 -3.652 1.093) 4.790 8.743 ( -8.777 1.659 1.873) 9.126 9.123 ( 9.472 2.522 -3.471) 10.398 9.671 ( 3.738 2.555 3.752) 5.881 9.961 ( -7.471 4.625 -3.962) 9.638 13.533 ( 10.432 -5.225 -0.594) 11.683======================= Grid point 631 (241/417) =======================q-point: (-0.12 0.38 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.289 ( -7.030 1.580 2.685) 7.689 2.613 ( -12.258 2.602 -1.476) 12.618 3.090 ( 2.144 1.640 -7.174) 7.665 3.516 ( 7.647 -3.546 5.020) 9.811 4.284 ( -25.847 0.399 0.178) 25.851 5.713 ( -4.870 -0.555 0.742) 4.958 7.764 ( -2.416 -0.855 0.755) 2.672 8.531 ( -16.083 -2.264 1.804) 16.342 9.310 ( 9.150 3.054 -4.628) 10.699 9.676 ( 2.287 -9.136 -5.174) 10.746 10.037 ( 7.655 10.556 6.362) 14.509 13.666 ( 9.931 -2.870 -3.096) 10.791======================= Grid point 640 (242/417) =======================q-point: ( 0.44 0.44 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.977 ( 0.000 3.931 0.518) 3.965 2.150 ( -0.000 3.717 7.157) 8.064 2.918 ( 0.000 14.885 -1.070) 14.923 2.937 ( 0.000 2.517 -4.382) 5.053 3.709 ( 0.000 5.698 -3.390) 6.630 5.232 ( 0.000 27.958 0.982) 27.976 7.418 ( 0.000 8.002 -2.014) 8.252 7.990 ( 0.000 -0.511 -7.204) 7.222 9.362 ( 0.000 -8.638 -10.005) 13.218 9.571 ( -0.000 2.628 1.451) 3.002 10.948 ( -0.000 -36.537 12.161) 38.508 14.078 ( 0.000 5.337 -8.425) 9.973======================= Grid point 641 (243/417) =======================q-point: ( 0.50 0.44 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.058 ( 4.987 3.532 0.141) 6.113 2.214 ( 1.682 2.346 6.365) 6.989 2.929 ( -0.443 0.131 -5.493) 5.513 3.164 ( 12.163 13.408 -0.905) 18.126 3.760 ( 0.157 5.094 -0.697) 5.143 5.500 ( 1.671 21.815 0.225) 21.880 7.605 ( 13.870 6.585 -1.637) 15.441 7.936 ( -2.865 1.456 -8.571) 9.154 9.248 ( -1.976 -5.528 -4.209) 7.224 9.604 ( -1.328 4.620 0.597) 4.844 10.612 ( -1.214 -35.190 9.261) 36.408 14.045 ( -6.795 4.492 -7.054) 10.776======================= Grid point 642 (244/417) =======================q-point: ( 0.56 0.44 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.213 ( 8.589 3.583 -0.450) 9.317 2.299 ( 3.505 1.814 6.175) 7.329 2.896 ( -0.957 -0.729 -4.680) 4.832 3.553 ( 15.562 11.883 -1.637) 19.648 3.818 ( 3.441 3.818 1.351) 5.314 5.712 ( 1.337 14.878 0.058) 14.939 7.839 ( -1.770 4.617 -3.776) 6.222 8.046 ( 22.020 6.516 -2.886) 23.145 9.151 ( -3.269 -3.241 -1.957) 5.002 9.618 ( -2.491 5.154 -0.583) 5.754 10.284 ( -1.304 -30.335 6.826) 31.121 13.893 ( -12.265 2.837 -5.837) 13.876======================= Grid point 643 (245/417) =======================q-point: ( 0.62 0.44 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.381 ( 6.088 1.064 1.133) 6.283 2.435 ( 8.270 4.494 2.979) 9.872 2.855 ( -1.510 -0.709 -2.934) 3.375 3.703 ( -2.679 2.264 -0.869) 3.613 4.150 ( 22.149 10.889 0.898) 24.698 5.822 ( -2.165 7.463 0.104) 7.772 7.844 ( -0.681 4.916 -1.211) 5.109 8.510 ( 20.000 7.652 -1.119) 21.443 9.054 ( -4.452 -1.848 -1.557) 5.066 9.632 ( 1.156 2.534 -2.578) 3.796 10.037 ( -0.130 -19.462 6.052) 20.382 13.663 ( -13.733 0.673 -4.188) 14.373======================= Grid point 644 (246/417) =======================q-point: ( 0.69 0.44 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.477 ( 4.097 0.466 1.061) 4.257 2.646 ( 8.629 5.773 0.285) 10.386 2.817 ( -1.018 -0.497 -0.886) 1.438 3.625 ( -5.688 -1.855 -0.172) 5.985 4.655 ( 20.873 13.425 0.283) 24.819 5.773 ( -7.372 -0.978 0.042) 7.437 7.899 ( 1.355 3.270 0.659) 3.601 8.791 ( 6.160 4.023 -0.668) 7.387 8.953 ( -4.179 -1.942 -1.202) 4.762 9.712 ( 3.630 3.623 -2.957) 5.920 9.958 ( 5.203 -7.025 4.484) 9.825 13.439 ( -9.713 -1.433 -2.004) 10.021======================= Grid point 645 (247/417) =======================q-point: ( 0.75 0.44 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.526 ( 0.230 0.802 -0.023) 0.835 2.785 ( 2.116 1.088 -0.846) 2.525 2.868 ( 5.880 5.528 -0.175) 8.072 3.485 ( -6.020 -5.203 0.790) 7.996 5.103 ( 11.193 18.221 -0.135) 21.385 5.563 ( -7.917 -12.272 0.238) 14.606 7.922 ( -0.977 -0.600 0.423) 1.222 8.863 ( -1.936 2.828 1.481) 3.733 8.898 ( 3.171 -1.650 -2.153) 4.173 9.733 ( -3.209 1.626 1.247) 3.807 10.066 ( 5.677 2.027 -0.971) 6.106 13.318 ( -1.354 -2.032 -0.314) 2.461======================= Grid point 646 (248/417) =======================q-point: (-0.19 0.44 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.500 ( -4.200 1.221 1.135) 4.518 2.828 ( 2.606 -0.709 -1.495) 3.087 3.009 ( 1.155 9.285 -3.892) 10.134 3.352 ( -0.894 -8.247 3.871) 9.154 5.120 ( -22.087 1.181 -0.366) 22.122 5.536 ( 14.357 -1.456 0.520) 14.440 7.874 ( -2.958 -0.650 0.920) 3.165 8.825 ( -2.233 -2.510 0.092) 3.361 9.000 ( 6.246 3.743 -1.037) 7.355 9.658 ( -3.295 -6.089 0.487) 6.940 10.122 ( -3.052 5.975 -0.396) 6.721 13.350 ( 6.092 -0.291 -0.580) 6.127======================= Grid point 647 (249/417) =======================q-point: (-0.12 0.44 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.426 ( -6.035 0.684 2.440) 6.546 2.798 ( -6.233 0.086 -0.481) 6.252 3.067 ( 0.182 6.792 -9.130) 11.381 3.360 ( 7.274 -5.886 6.952) 11.657 4.667 ( -23.214 -10.385 0.035) 25.431 5.731 ( 4.428 4.711 0.416) 6.479 7.840 ( -3.158 3.966 1.374) 5.253 8.704 ( -8.316 -6.023 0.235) 10.271 9.157 ( 8.453 2.839 -2.624) 9.295 9.524 ( 0.396 -12.574 -1.631) 12.686 10.123 ( -3.068 6.073 2.732) 7.332 13.489 ( 8.540 2.202 -2.417) 9.145======================= Grid point 657 (250/417) =======================q-point: ( 0.50 0.50 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.042 ( 0.000 2.557 0.147) 2.561 2.233 ( -0.000 0.778 6.006) 6.056 2.913 ( 0.000 -0.494 -5.299) 5.322 3.169 ( 0.000 10.682 -0.512) 10.694 3.808 ( 0.000 4.495 0.008) 4.495 5.678 ( 0.000 16.765 -0.753) 16.782 7.509 ( 0.000 2.962 -1.967) 3.556 7.952 ( 0.000 2.451 -9.460) 9.772 9.219 ( -0.000 -2.254 -0.073) 2.255 9.680 ( 0.000 6.467 1.293) 6.595 10.301 ( -0.000 -33.709 6.180) 34.271 14.133 ( 0.000 4.665 -5.844) 7.478======================= Grid point 658 (251/417) =======================q-point: ( 0.56 0.50 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.115 ( 5.504 2.153 0.033) 5.910 2.277 ( 2.329 0.106 6.634) 7.032 2.890 ( -0.452 -0.133 -3.851) 3.880 3.381 ( 13.148 8.675 -0.490) 15.759 3.839 ( -0.628 2.601 0.049) 2.676 5.825 ( 0.921 11.539 -0.888) 11.610 7.686 ( 17.534 2.957 -0.962) 17.808 7.934 ( -2.284 3.796 -6.477) 7.847 9.194 ( -2.659 0.882 1.670) 3.261 9.712 ( -3.464 2.946 -0.134) 4.549 10.013 ( 1.604 -26.658 3.869) 26.985 14.090 ( -7.817 3.831 -5.031) 10.054======================= Grid point 659 (252/417) =======================q-point: ( 0.62 0.50 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.259 ( 8.391 1.430 -0.634) 8.535 2.362 ( 5.112 0.252 7.303) 8.918 2.871 ( -1.116 0.824 -1.988) 2.424 3.723 ( 9.708 6.211 -2.152) 11.724 3.876 ( 10.255 1.122 1.014) 10.366 5.922 ( -0.572 6.738 -0.531) 6.783 7.915 ( -2.720 4.678 -1.583) 5.638 8.128 ( 27.720 3.807 -1.277) 28.010 9.149 ( -5.415 2.610 1.530) 6.203 9.583 ( -2.380 -12.626 -2.635) 13.116 9.910 ( 1.952 -5.954 3.984) 7.425 13.917 ( -13.824 2.700 -4.052) 14.656======================= Grid point 660 (253/417) =======================q-point: ( 0.69 0.50 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.386 ( 5.968 -0.886 0.243) 6.039 2.526 ( 10.073 1.855 5.048) 11.419 2.853 ( -2.175 1.783 -0.115) 2.815 3.709 ( -5.437 -0.394 -2.693) 6.080 4.304 ( 27.102 3.813 0.590) 27.375 5.912 ( -6.028 1.995 -0.533) 6.372 7.920 ( -0.948 2.480 0.473) 2.696 8.603 ( 20.052 3.441 -1.651) 20.412 9.060 ( -7.338 0.915 0.820) 7.440 9.511 ( 9.406 -6.598 -3.759) 12.089 9.913 ( 0.241 -1.545 5.166) 5.397 13.668 ( -15.643 1.916 -2.386) 15.939======================= Grid point 661 (254/417) =======================q-point: (-0.25 -0.50 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.465 ( 4.962 -1.887 -0.455) 5.328 2.748 ( 11.211 2.020 3.875) 12.033 2.831 ( -2.980 2.511 1.418) 4.147 3.570 ( -7.710 -2.193 -3.402) 8.708 4.800 ( 26.664 -0.028 0.462) 26.668 5.748 ( -13.122 -0.469 -0.690) 13.149 7.916 ( -0.337 -1.687 -0.492) 1.790 8.826 ( 5.626 0.601 -1.475) 5.847 8.957 ( -5.296 2.213 1.823) 6.022 9.695 ( 9.373 0.813 -5.988) 11.153 9.942 ( 5.915 -2.057 6.712) 9.179 13.440 ( -11.643 2.315 -0.314) 11.875======================= Grid point 662 (255/417) =======================q-point: (-0.19 -0.50 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.512 ( 2.771 -2.245 -1.120) 3.738 2.814 ( -1.359 1.604 1.297) 2.470 2.969 ( 9.838 2.834 4.274) 11.095 3.390 ( -8.695 -2.602 -3.931) 9.891 5.117 ( 12.280 -18.249 0.447) 22.001 5.542 ( -8.806 11.525 -0.656) 14.519 7.884 ( 0.269 -2.339 -1.163) 2.626 8.827 ( -1.748 -3.294 -0.340) 3.744 8.987 ( 1.535 6.676 1.707) 7.059 9.665 ( -5.141 -6.698 -1.074) 8.512 10.117 ( 8.229 1.426 0.789) 8.389 13.344 ( -3.013 4.459 0.758) 5.434======================= Grid point 663 (256/417) =======================q-point: (-0.12 0.50 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1034Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.494 ( -1.711 -2.964 -0.000) 3.422 2.829 ( 0.787 1.362 -0.000) 1.573 3.161 ( 3.894 6.744 -0.000) 7.787 3.216 ( -3.177 -5.503 0.000) 6.355 4.827 ( -13.266 -22.977 -0.000) 26.532 5.706 ( 6.252 10.829 -0.000) 12.504 7.903 ( 1.955 3.385 -0.000) 3.909 8.731 ( -4.105 -7.111 -0.000) 8.211 9.097 ( 3.269 5.663 -0.000) 6.539 9.447 ( -7.159 -12.400 0.000) 14.318 10.195 ( 0.110 0.191 -0.000) 0.220 13.419 ( 4.081 7.068 0.000) 8.162======================= Grid point 675 (257/417) =======================q-point: ( 0.56 0.56 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.083 ( -0.000 1.367 0.409) 1.427 2.274 ( -0.000 -0.718 7.688) 7.721 2.888 ( 0.000 0.981 -2.108) 2.325 3.330 ( 0.000 5.598 -0.154) 5.600 3.867 ( 0.000 1.463 -0.861) 1.698 5.908 ( 0.000 7.593 -1.009) 7.660 7.539 ( 0.000 1.328 -0.033) 1.329 7.990 ( 0.000 5.621 -2.543) 6.170 9.253 ( -0.000 4.134 2.702) 4.939 9.719 ( -0.000 -25.893 -0.178) 25.894 9.801 ( 0.000 4.462 -0.293) 4.471 14.182 ( 0.000 3.373 -4.527) 5.645======================= Grid point 676 (258/417) =======================q-point: ( 0.62 0.56 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.145 ( 5.501 0.769 0.280) 5.562 2.313 ( 2.619 -1.348 8.537) 9.031 2.898 ( -0.502 2.563 -0.013) 2.612 3.498 ( 14.065 3.242 -0.175) 14.435 3.855 ( -1.496 -0.379 -1.919) 2.463 5.970 ( 0.596 3.971 -0.552) 4.053 7.724 ( 18.753 1.411 0.221) 18.808 8.026 ( -2.651 6.609 2.732) 7.627 9.277 ( -3.996 4.440 1.935) 6.279 9.462 ( -2.139 -16.396 -3.231) 16.848 9.857 ( 2.478 0.666 -0.078) 2.567 14.126 ( -8.065 2.522 -4.014) 9.355======================= Grid point 677 (259/417) =======================q-point: (-0.31 -0.44 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.264 ( 7.050 -0.657 -0.354) 7.089 2.397 ( 6.574 -1.802 7.752) 10.322 2.918 ( -1.552 3.985 2.205) 4.812 3.768 ( -0.679 0.573 -4.446) 4.534 3.877 ( 20.860 -1.780 0.996) 20.960 5.985 ( -1.589 0.053 -0.638) 1.714 7.982 ( -0.470 1.478 1.327) 2.042 8.211 ( 23.686 3.818 3.011) 24.180 9.167 ( -5.509 -5.356 -1.486) 7.826 9.390 ( 0.644 4.071 -1.527) 4.396 9.891 ( 1.773 -1.848 1.405) 2.921 13.944 ( -13.773 2.166 -2.830) 14.226======================= Grid point 678 (260/417) =======================q-point: (-0.25 -0.44 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.348 ( 5.265 -2.909 -0.536) 6.039 2.560 ( 11.263 -2.001 5.195) 12.563 2.933 ( -2.975 4.786 4.259) 7.063 3.662 ( -6.218 -1.407 -5.321) 8.304 4.301 ( 27.421 -4.597 0.514) 27.808 5.901 ( -6.241 -2.591 -1.003) 6.832 7.931 ( -4.075 -2.004 0.896) 4.628 8.624 ( 18.163 -1.947 -1.045) 18.297 9.066 ( -3.448 1.809 1.282) 4.099 9.530 ( 8.528 10.201 -3.110) 13.655 9.884 ( 0.379 -4.977 4.184) 6.513 13.708 ( -14.982 3.026 -0.757) 15.303======================= Grid point 679 (261/417) =======================q-point: (-0.19 -0.44 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.398 ( 5.096 -3.983 -1.856) 6.729 2.739 ( 10.161 -4.631 3.146) 11.601 2.951 ( -1.726 5.669 6.548) 8.832 3.511 ( -7.910 -0.063 -6.198) 10.049 4.654 ( 21.382 -14.117 0.292) 25.624 5.750 ( -7.433 0.460 -0.913) 7.503 7.843 ( -1.202 -4.106 -1.566) 4.556 8.761 ( 5.031 -6.670 -1.827) 8.552 9.086 ( -2.056 8.562 4.127) 9.724 9.702 ( -3.367 1.328 -2.870) 4.619 9.928 ( 12.065 -0.396 2.783) 12.388 13.523 ( -10.412 5.481 1.459) 11.857======================= Grid point 692 (262/417) =======================q-point: (-0.38 -0.38 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.102 ( -0.000 0.095 0.779) 0.785 2.301 ( -0.000 -2.353 9.140) 9.437 2.941 ( -0.000 4.438 2.600) 5.144 3.388 ( -0.000 0.182 0.071) 0.196 3.853 ( 0.000 -1.371 -3.312) 3.585 5.988 ( 0.000 0.807 -0.102) 0.813 7.573 ( -0.000 1.440 2.202) 2.631 8.139 ( -0.000 7.052 7.640) 10.397 9.276 ( 0.000 -12.809 -4.056) 13.436 9.423 ( 0.000 8.586 -0.166) 8.588 9.830 ( 0.000 -0.980 -2.036) 2.260 14.204 ( 0.000 1.641 -4.078) 4.396======================= Grid point 693 (263/417) =======================q-point: (-0.31 -0.38 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.147 ( 4.983 -0.798 0.435) 5.065 2.319 ( 2.419 -3.768 8.091) 9.247 2.998 ( -0.848 5.625 5.175) 7.690 3.506 ( 14.490 -2.527 0.115) 14.709 3.805 ( -1.945 -2.258 -4.604) 5.485 5.978 ( 0.015 -3.298 -0.344) 3.316 7.750 ( 16.664 0.467 1.686) 16.755 8.193 ( -3.592 3.930 9.873) 11.217 9.150 ( -1.495 -4.472 -3.935) 6.142 9.507 ( -2.551 12.401 -1.212) 12.719 9.827 ( 2.593 -3.219 -1.365) 4.353 14.138 ( -7.496 1.219 -3.568) 8.391======================= Grid point 694 (264/417) =======================q-point: (-0.25 -0.38 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.227 ( 5.232 -2.836 -0.489) 5.971 2.379 ( 7.419 -4.548 5.911) 10.520 3.047 ( -2.248 5.176 6.877) 8.896 3.716 ( -3.800 -1.359 -6.170) 7.373 3.802 ( 23.325 -6.658 0.596) 24.264 5.911 ( -1.467 -7.255 -1.047) 7.475 7.981 ( 1.491 -2.616 1.423) 3.330 8.249 ( 14.391 -3.687 2.910) 15.138 9.136 ( -0.946 5.983 1.549) 6.252 9.598 ( -0.353 14.324 -2.252) 14.504 9.835 ( 1.471 -3.052 1.133) 3.573 13.969 ( -12.161 1.989 -1.964) 12.478======================= Grid point 695 (265/417) =======================q-point: (-0.19 -0.38 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.265 ( 4.479 -4.697 -1.478) 6.656 2.509 ( 10.742 -5.978 3.574) 12.802 3.066 ( -2.867 3.538 7.326) 8.626 3.611 ( -5.475 1.024 -6.067) 8.236 4.128 ( 23.535 -12.951 0.125) 26.863 5.791 ( -2.233 -8.004 -1.182) 8.393 7.861 ( -5.995 -4.627 -0.353) 7.581 8.485 ( 15.526 -10.326 -2.269) 18.783 9.216 ( -0.655 9.465 5.023) 10.735 9.790 ( 5.897 3.185 4.453) 8.046 9.805 ( -3.230 9.831 -4.078) 11.123 13.779 ( -12.253 4.216 0.596) 12.972======================= Grid point 709 (266/417) =======================q-point: (-0.31 -0.31 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.094 ( -0.000 -1.451 0.864) 1.689 2.281 ( -0.000 -5.204 7.096) 8.800 3.086 ( -0.000 5.740 7.641) 9.557 3.338 ( -0.000 -5.194 0.182) 5.197 3.782 ( 0.000 -2.310 -5.514) 5.978 5.921 ( -0.000 -7.885 -0.591) 7.907 7.615 ( -0.000 0.469 3.144) 3.178 8.283 ( -0.000 -1.471 9.417) 9.531 9.157 ( 0.000 6.354 0.140) 6.356 9.675 ( 0.000 16.433 -2.974) 16.700 9.744 ( 0.000 -5.641 -2.742) 6.272 14.199 ( 0.000 0.583 -3.956) 3.999======================= Grid point 710 (267/417) =======================q-point: (-0.25 -0.31 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.115 ( 3.968 -2.701 0.208) 4.805 2.259 ( 2.428 -6.584 5.330) 8.812 3.146 ( -1.337 3.051 8.184) 8.836 3.400 ( 13.965 -8.169 0.300) 16.182 3.733 ( -1.681 -0.463 -5.549) 5.816 5.815 ( 0.162 -12.891 -1.319) 12.959 7.748 ( 13.580 -2.457 1.792) 13.917 8.208 ( -5.113 -6.833 3.307) 9.152 9.268 ( -2.234 13.939 6.960) 15.739 9.689 ( 1.380 -0.641 -0.025) 1.522 9.846 ( 0.518 15.725 -4.880) 16.473 14.137 ( -6.289 1.068 -3.269) 7.168======================= Grid point 711 (268/417) =======================q-point: (-0.19 -0.31 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.144 ( 3.492 -5.071 -0.962) 6.232 2.292 ( 7.742 -7.205 3.381) 11.103 3.147 ( -2.129 -1.354 6.326) 6.810 3.611 ( 20.623 -12.731 0.556) 24.242 3.690 ( -3.008 3.460 -4.260) 6.258 5.673 ( 1.111 -16.041 -1.578) 16.157 7.893 ( 1.174 -6.433 -0.465) 6.556 8.113 ( 9.065 -9.187 -1.144) 12.957 9.343 ( -2.969 7.573 4.751) 9.420 9.783 ( 2.557 4.758 10.791) 12.067 9.990 ( -1.776 21.373 -8.726) 23.154 14.006 ( -9.579 2.935 -1.193) 10.090======================= Grid point 726 (269/417) =======================q-point: (-0.25 -0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.051 ( -0.000 -3.412 0.513) 3.450 2.182 ( -0.000 -8.226 3.888) 9.098 3.186 ( -0.000 -10.157 0.162) 10.158 3.189 ( -0.000 -2.413 6.601) 7.028 3.743 ( 0.000 2.884 -3.183) 4.295 5.648 ( -0.000 -18.922 -1.928) 19.019 7.604 ( -0.000 -3.986 1.942) 4.433 8.178 ( -0.000 -9.102 -1.056) 9.163 9.533 ( -0.000 22.301 17.158) 28.137 9.608 ( 0.000 -5.474 -1.687) 5.728 10.026 ( 0.000 22.246 -8.295) 23.742 14.188 ( 0.000 1.094 -3.787) 3.942======================= Grid point 727 (270/417) =======================q-point: (-0.19 -0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.038 ( 2.457 -5.229 -0.367) 5.790 2.126 ( 3.208 -9.287 2.470) 10.131 3.141 ( -0.458 -7.826 2.700) 8.291 3.189 ( 12.211 -13.005 0.582) 17.849 3.772 ( -1.459 6.139 0.015) 6.310 5.440 ( 1.754 -23.738 -2.193) 23.904 7.646 ( 10.172 -8.894 0.011) 13.512 8.047 ( -3.734 -7.219 -3.279) 8.764 9.487 ( -6.136 0.778 1.846) 6.455 9.875 ( 3.682 16.827 18.928) 25.593 10.221 ( -1.145 25.782 -10.730) 27.950 14.149 ( -4.685 2.396 -2.857) 5.987======================= Grid point 743 (271/417) =======================q-point: (-0.19 -0.19 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.960 ( -0.000 -6.073 -0.195) 6.076 2.000 ( -0.000 -11.749 0.927) 11.785 2.943 ( -0.000 -14.050 -0.027) 14.050 3.051 ( -0.000 -12.379 0.532) 12.390 3.855 ( -0.000 6.642 2.776) 7.198 5.145 ( -0.000 -30.065 -2.647) 30.181 7.458 ( -0.000 -11.180 -0.410) 11.187 8.002 ( 0.000 -5.061 -5.185) 7.245 9.544 ( -0.000 0.046 0.384) 0.387 10.102 ( -0.000 18.193 20.844) 27.667 10.476 ( 0.000 30.557 -8.941) 31.838 14.202 ( 0.000 2.777 -3.442) 4.423======================= Grid point 830 (272/417) =======================q-point: ( 0.19 0.19 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 408Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.629 ( -0.000 0.000 20.529) 20.529 0.629 ( -0.000 0.000 20.529) 20.529 1.304 ( -0.000 0.000 43.817) 43.817 1.956 ( 0.000 -0.000 -4.352) 4.352 1.956 ( 0.000 -0.000 -4.352) 4.352 4.700 ( 0.000 -0.000 -13.945) 13.945 6.425 ( -0.000 0.000 2.995) 2.995 6.425 ( -0.000 0.000 2.995) 2.995 10.058 ( 0.000 -0.000 -1.642) 1.642 10.058 ( 0.000 -0.000 -1.642) 1.642 13.162 ( -0.000 0.000 1.320) 1.320 13.453 ( 0.000 -0.000 -0.713) 0.713======================= Grid point 831 (273/417) =======================q-point: ( 0.25 0.19 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.845 ( 13.880 8.014 15.445) 22.258 1.057 ( 16.465 9.506 19.417) 27.176 1.643 ( 19.530 11.276 32.270) 39.369 1.969 ( 2.700 1.559 -4.825) 5.744 2.111 ( 14.729 8.504 -4.980) 17.721 4.214 ( -15.310 -8.839 -2.628) 17.873 6.486 ( 4.432 2.559 2.972) 5.919 7.762 ( 63.681 36.766 -31.028) 79.811 9.770 ( -18.548 -10.709 -5.670) 22.155 10.018 ( -3.274 -1.890 -1.600) 4.105 13.075 ( -9.261 -5.347 4.714) 11.687 13.649 ( 13.529 7.811 -12.463) 19.984======================= Grid point 832 (274/417) =======================q-point: ( 0.31 0.19 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.255 ( 16.680 9.630 10.160) 21.776 1.380 ( 8.308 4.797 20.476) 22.612 2.056 ( 6.545 3.779 -5.028) 9.077 2.196 ( 17.867 10.316 14.097) 24.988 2.678 ( 34.905 20.153 -1.435) 40.331 3.995 ( -4.574 -2.641 -7.026) 8.789 6.643 ( 8.284 4.783 2.523) 9.893 8.448 ( -0.907 -0.524 -0.938) 1.407 9.528 ( 8.229 4.751 -28.052) 29.617 9.907 ( -5.663 -3.269 -1.481) 6.705 12.813 ( -15.013 -8.667 11.318) 20.703 13.817 ( 4.734 2.733 -18.275) 19.075======================= Grid point 833 (275/417) =======================q-point: ( 0.38 0.19 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.620 ( 12.000 6.928 6.172) 15.169 1.630 ( 9.190 5.306 14.137) 17.677 2.254 ( 12.133 7.005 -3.926) 14.550 2.592 ( 14.131 8.159 8.544) 18.419 3.478 ( 29.014 16.751 -7.268) 34.282 3.961 ( 7.083 4.089 -2.629) 8.591 6.873 ( 10.898 6.292 1.661) 12.694 8.125 ( -18.660 -10.773 2.945) 21.747 9.724 ( 9.739 5.623 -24.567) 27.018 9.765 ( -5.901 -3.407 -1.155) 6.911 12.461 ( -19.895 -11.486 15.697) 27.823 13.786 ( -0.986 -0.569 -17.889) 17.925======================= Grid point 834 (276/417) =======================q-point: ( 0.44 0.19 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.844 ( 6.902 3.985 2.508) 8.355 1.900 ( 11.244 6.491 8.000) 15.250 2.569 ( 15.123 8.731 -1.840) 17.559 2.889 ( 9.404 5.429 5.009) 11.958 3.701 ( 2.042 1.179 -12.895) 13.109 4.504 ( 30.356 17.526 4.073) 35.288 7.136 ( 11.170 6.449 0.415) 12.904 7.777 ( -10.717 -6.187 -0.386) 12.380 9.649 ( -3.594 -2.075 -0.438) 4.173 9.745 ( -1.496 -0.863 -17.777) 17.861 11.967 ( -27.684 -15.984 13.041) 34.525 13.722 ( 0.583 0.337 -11.660) 11.680======================= Grid point 835 (277/417) =======================q-point: ( 0.50 0.19 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.977 ( 4.528 2.614 0.517) 5.254 2.191 ( 12.344 7.127 3.258) 14.621 2.899 ( 13.412 7.744 -0.757) 15.506 3.039 ( 3.057 1.765 -2.063) 4.089 3.698 ( 0.825 0.476 -4.852) 4.944 5.149 ( 23.882 13.789 2.462) 27.687 7.368 ( 8.792 5.076 -1.103) 10.212 7.660 ( 1.056 0.610 -2.224) 2.536 9.591 ( -6.468 -3.734 -12.657) 14.696 9.610 ( 0.273 0.158 0.725) 0.790 11.276 ( -34.511 -19.925 6.368) 40.355 13.751 ( 3.764 2.173 -3.456) 5.553======================= Grid point 836 (278/417) =======================q-point: ( 0.56 0.19 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.063 ( 3.023 1.745 -0.417) 3.515 2.480 ( 12.399 7.159 -1.080) 14.358 3.025 ( -2.324 -1.342 -8.635) 9.042 3.163 ( 9.586 5.534 -0.354) 11.074 3.708 ( 0.016 0.009 3.320) 3.320 5.605 ( 15.417 8.901 1.267) 17.847 7.526 ( 5.491 3.170 -2.463) 6.802 7.798 ( 11.206 6.470 -3.857) 13.502 9.415 ( -5.244 -3.028 -7.369) 9.538 9.657 ( 2.901 1.675 1.971) 3.887 10.468 ( -35.851 -20.699 1.923) 41.442 13.851 ( 4.656 2.688 1.986) 5.732======================= Grid point 837 (279/417) =======================q-point: ( 0.62 0.19 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.114 ( 1.597 0.922 -0.855) 2.033 2.737 ( 9.674 5.585 -9.804) 14.863 2.912 ( -3.372 -1.947 -5.733) 6.930 3.331 ( 4.999 2.886 -0.190) 5.775 3.709 ( -1.524 -0.880 7.073) 7.289 5.876 ( 8.110 4.682 0.448) 9.375 7.613 ( 3.179 1.835 -3.165) 4.847 8.112 ( 16.778 9.687 -7.167) 20.657 9.330 ( -0.477 -0.275 -2.058) 2.131 9.695 ( -30.747 -17.752 1.650) 35.542 9.729 ( 2.122 1.225 2.765) 3.695 13.960 ( 3.583 2.069 4.753) 6.302======================= Grid point 838 (280/417) =======================q-point: (-0.31 0.19 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.131 ( 0.102 0.059 -0.993) 1.000 2.668 ( -6.769 -3.908 -14.212) 16.220 3.042 ( 10.578 6.107 -3.774) 12.784 3.390 ( 0.205 0.118 -0.100) 0.257 3.680 ( -3.156 -1.822 8.495) 9.244 5.979 ( 0.662 0.382 0.427) 0.876 7.659 ( 1.728 0.998 -3.086) 3.674 8.457 ( 12.478 7.204 -12.366) 18.987 9.139 ( -14.881 -8.592 4.902) 17.869 9.392 ( 5.729 3.308 1.627) 6.813 9.751 ( -1.208 -0.698 2.872) 3.193 14.040 ( 1.908 1.102 6.107) 6.492======================= Grid point 839 (281/417) =======================q-point: (-0.25 0.19 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.112 ( -1.477 -0.853 -0.887) 1.923 2.452 ( -8.244 -4.760 -10.144) 13.911 3.241 ( 6.908 3.988 -8.298) 11.510 3.340 ( -4.504 -2.600 -0.026) 5.201 3.639 ( -1.758 -1.015 9.450) 9.665 5.903 ( -7.657 -4.420 1.158) 8.917 7.670 ( -0.246 -0.142 -2.314) 2.332 8.402 ( -10.980 -6.339 -2.048) 12.842 9.233 ( 18.853 10.885 -7.776) 23.117 9.603 ( 11.558 6.673 4.225) 13.999 9.693 ( -4.265 -2.462 2.263) 5.420 14.092 ( 1.029 0.594 6.666) 6.771======================= Grid point 840 (282/417) =======================q-point: (-0.19 0.19 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.056 ( -3.189 -1.841 -0.530) 3.721 2.229 ( -8.960 -5.173 -5.811) 11.867 3.186 ( -8.814 -5.089 0.041) 10.178 3.243 ( -4.616 -2.665 -4.632) 7.061 3.711 ( 5.645 3.259 3.426) 7.363 5.630 ( -16.724 -9.656 1.966) 19.412 7.618 ( -4.181 -2.414 -1.005) 4.931 8.153 ( -9.767 -5.639 4.089) 11.996 9.594 ( -4.059 -2.344 1.029) 4.799 9.710 ( 23.775 13.726 -19.196) 33.498 9.944 ( 16.822 9.712 8.745) 21.302 14.140 ( 1.534 0.885 6.102) 6.354======================= Grid point 847 (283/417) =======================q-point: ( 0.25 0.25 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.979 ( -0.000 17.008 15.220) 22.823 1.085 ( -0.000 23.770 16.553) 28.966 1.727 ( -0.000 16.078 34.838) 38.370 1.966 ( 0.000 3.799 -5.307) 6.527 2.078 ( 0.000 16.118 -5.437) 17.010 4.202 ( 0.000 -17.534 -4.788) 18.175 6.499 ( -0.000 5.422 3.086) 6.238 7.638 ( 0.000 68.382 -25.139) 72.857 9.842 ( 0.000 -12.972 -7.079) 14.778 9.996 ( 0.000 -4.648 -1.793) 4.982 13.073 ( -0.000 -12.552 4.867) 13.462 13.595 ( 0.000 12.810 -10.430) 16.519======================= Grid point 848 (284/417) =======================q-point: ( 0.31 0.25 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.246 ( 6.069 18.766 11.811) 22.989 1.407 ( 5.161 11.410 19.341) 23.041 2.019 ( 2.848 6.958 -5.315) 9.208 2.109 ( 11.335 14.624 18.424) 26.111 2.444 ( 18.886 29.606 -1.832) 35.165 4.011 ( -3.979 -5.945 -7.585) 10.427 6.613 ( 4.168 8.266 2.897) 9.700 8.305 ( 16.887 18.637 -9.011) 26.715 9.552 ( -12.190 0.073 -19.008) 22.581 9.939 ( -1.480 -4.063 -3.009) 5.268 12.888 ( -5.732 -17.694 9.613) 20.937 13.730 ( 4.532 8.490 -16.117) 18.771======================= Grid point 849 (285/417) =======================q-point: ( 0.38 0.25 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.577 ( 7.865 13.874 8.315) 17.986 1.632 ( 4.370 8.184 16.193) 18.662 2.180 ( 7.111 12.363 -4.623) 14.993 2.481 ( 12.397 10.787 9.813) 19.139 3.172 ( 27.207 27.464 -3.428) 38.810 3.925 ( 0.519 2.347 -6.724) 7.141 6.819 ( 7.104 11.354 2.503) 13.625 8.304 ( -12.687 -13.416 4.985) 19.126 9.508 ( 6.623 5.799 -22.038) 23.731 9.855 ( -3.833 0.476 -6.455) 7.522 12.602 ( -9.894 -20.599 14.213) 26.911 13.764 ( -1.072 4.024 -18.087) 18.560======================= Grid point 850 (286/417) =======================q-point: ( 0.44 0.25 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.817 ( 5.064 8.666 4.121) 10.850 1.848 ( 6.600 8.132 10.639) 14.929 2.475 ( 10.463 16.799 -2.092) 19.901 2.801 ( 10.314 7.550 6.520) 14.349 3.612 ( 6.489 4.774 -14.201) 16.327 4.241 ( 23.401 22.025 3.732) 32.352 7.085 ( 7.801 14.044 1.828) 16.168 7.925 ( -14.715 -9.853 1.743) 17.795 9.558 ( 4.258 -5.577 -9.416) 11.743 9.776 ( -4.277 1.689 -11.098) 12.013 12.204 ( -17.100 -23.402 13.652) 32.038 13.705 ( -2.052 2.577 -14.164) 14.542======================= Grid point 851 (287/417) =======================q-point: ( 0.50 0.25 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.966 ( 2.766 6.823 1.344) 7.484 2.093 ( 9.234 8.089 5.723) 13.544 2.813 ( 9.573 14.496 -0.298) 17.374 3.008 ( 4.894 5.929 0.031) 7.688 3.658 ( 2.475 1.758 -8.039) 8.593 4.905 ( 24.221 19.701 2.953) 31.362 7.356 ( 5.446 15.443 0.751) 16.393 7.682 ( -5.585 -2.805 -0.232) 6.254 9.527 ( 2.038 -5.603 -6.970) 9.172 9.653 ( -5.019 -2.181 -7.432) 9.230 11.617 ( -26.921 -24.465 7.407) 37.123 13.692 ( 2.411 1.294 -6.004) 6.598======================= Grid point 852 (288/417) =======================q-point: ( 0.56 0.25 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.066 ( 1.266 6.115 0.078) 6.246 2.354 ( 10.469 7.608 0.974) 12.978 2.983 ( 1.678 -0.980 -4.664) 5.053 3.176 ( 3.795 16.639 -2.228) 17.211 3.702 ( 1.900 1.185 0.689) 2.343 5.437 ( 17.250 13.243 1.921) 21.832 7.569 ( 0.961 15.831 -0.627) 15.872 7.682 ( 5.652 2.664 -1.460) 6.417 9.423 ( -3.477 -5.670 -9.250) 11.393 9.609 ( 2.680 -1.161 1.034) 3.099 10.872 ( -33.076 -21.791 1.583) 39.640 13.765 ( 6.196 -0.760 0.552) 6.267======================= Grid point 853 (289/417) =======================q-point: ( 0.62 0.25 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.133 ( -0.178 5.485 -0.570) 5.517 2.600 ( 9.969 6.533 -5.579) 13.160 2.918 ( -2.672 -3.088 -6.763) 7.901 3.379 ( 0.891 15.144 -0.549) 15.180 3.735 ( -0.081 0.058 5.238) 5.239 5.779 ( 10.271 7.472 1.064) 12.745 7.698 ( -3.205 15.391 -1.846) 15.829 7.896 ( 14.104 5.561 -3.776) 15.624 9.310 ( -0.646 -3.726 -4.483) 5.864 9.643 ( 0.909 -6.206 3.207) 7.045 10.132 ( -29.919 -10.850 -1.059) 31.843 13.875 ( 7.212 -2.725 4.000) 8.685======================= Grid point 854 (290/417) =======================q-point: ( 0.69 0.25 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.165 ( -1.652 4.597 -0.864) 4.960 2.679 ( -2.917 -1.031 -15.497) 15.803 2.921 ( 7.600 3.363 -0.739) 8.344 3.493 ( -3.563 12.407 0.323) 12.913 3.729 ( -2.201 -1.213 6.613) 7.075 5.953 ( 4.001 2.488 0.561) 4.745 7.765 ( -5.354 14.581 -2.413) 15.719 8.206 ( 16.597 4.417 -8.284) 19.068 9.307 ( 0.421 -5.399 -0.468) 5.436 9.345 ( -13.607 -10.449 4.548) 17.748 9.846 ( -5.905 5.559 0.404) 8.120 13.973 ( 6.262 -4.097 5.488) 9.280======================= Grid point 855 (291/417) =======================q-point: (-0.25 0.25 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.161 ( -3.075 3.318 -0.868) 4.606 2.512 ( -7.318 -2.863 -11.334) 13.791 3.112 ( 9.290 3.972 -6.386) 11.952 3.504 ( -8.670 10.474 0.560) 13.608 3.685 ( -2.709 -2.622 7.686) 8.561 5.966 ( -3.100 -2.198 0.797) 3.883 7.790 ( -6.782 12.866 -2.243) 14.715 8.381 ( 3.607 -6.439 -8.417) 11.194 9.093 ( 2.093 1.438 1.460) 2.930 9.464 ( 10.160 2.761 3.074) 10.968 9.806 ( -5.416 3.721 0.565) 6.595 14.043 ( 4.874 -4.566 5.894) 8.907======================= Grid point 856 (292/417) =======================q-point: (-0.19 0.25 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.119 ( -4.385 1.627 -0.542) 4.709 2.319 ( -8.495 -2.515 -6.964) 11.269 3.223 ( 2.575 -0.264 -7.695) 8.119 3.402 ( -13.901 8.066 -0.203) 16.072 3.674 ( 1.996 -0.849 6.838) 7.174 5.802 ( -11.608 -6.499 1.514) 13.389 7.763 ( -8.922 9.466 -1.379) 13.081 8.223 ( -6.198 -9.894 0.234) 11.677 9.341 ( 16.897 4.340 -7.976) 19.182 9.691 ( 4.485 5.342 -0.015) 6.975 9.805 ( 7.474 7.196 2.935) 10.782 14.095 ( 4.279 -3.992 5.234) 7.851======================= Grid point 864 (293/417) =======================q-point: ( 0.31 0.31 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.411 ( -0.000 16.711 10.502) 19.737 1.555 ( -0.000 12.954 17.389) 21.683 2.049 ( 0.000 8.688 -6.076) 10.602 2.222 ( -0.000 15.560 14.537) 21.294 2.630 ( 0.000 38.948 0.411) 38.950 3.964 ( 0.000 -3.694 -8.753) 9.500 6.677 ( 0.000 10.514 2.559) 10.821 8.319 ( 0.000 10.237 -0.711) 10.261 9.641 ( 0.000 4.928 -26.069) 26.531 9.861 ( -0.000 -7.518 -1.516) 7.669 12.755 ( -0.000 -23.792 11.746) 26.533 13.741 ( 0.000 10.501 -16.107) 19.228======================= Grid point 865 (294/417) =======================q-point: ( 0.38 0.31 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.637 ( 4.496 12.807 8.015) 15.763 1.730 ( 1.051 9.893 15.020) 18.016 2.188 ( 5.786 13.987 -5.003) 15.942 2.469 ( 6.265 13.666 9.909) 18.006 3.128 ( 12.172 34.004 -2.965) 36.239 3.931 ( 0.412 5.227 -7.122) 8.844 6.846 ( 5.046 13.155 2.305) 14.277 8.322 ( -3.226 -11.024 5.880) 12.904 9.517 ( -6.804 5.709 -21.153) 22.943 9.834 ( 2.531 -2.890 -8.116) 8.979 12.514 ( -3.249 -27.184 14.615) 31.034 13.784 ( -0.785 7.997 -17.089) 18.884======================= Grid point 866 (295/417) =======================q-point: ( 0.44 0.31 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.841 ( 4.561 8.585 5.045) 10.952 1.895 ( 2.483 8.948 10.548) 14.053 2.487 ( 9.643 19.456 -2.088) 21.814 2.742 ( 8.231 9.530 6.732) 14.279 3.516 ( 6.971 10.246 -12.534) 17.626 4.173 ( 13.121 25.613 1.713) 28.829 7.118 ( 7.973 16.668 2.408) 18.633 8.062 ( -11.986 -11.976 2.572) 17.138 9.436 ( 0.222 -1.657 -10.801) 10.929 9.793 ( -1.357 -2.306 -10.864) 11.189 12.189 ( -7.593 -29.741 14.711) 34.039 13.753 ( -4.071 5.437 -15.288) 16.729======================= Grid point 867 (296/417) =======================q-point: ( 0.50 0.31 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.004 ( 3.139 8.273 1.928) 9.056 2.069 ( 5.279 7.877 7.283) 11.956 2.819 ( 6.788 13.280 1.162) 14.960 2.987 ( 8.265 12.110 -0.189) 14.663 3.609 ( 2.977 4.144 -8.972) 10.321 4.753 ( 19.556 25.512 2.575) 32.248 7.442 ( 6.798 19.287 2.409) 20.591 7.785 ( -9.412 -4.094 0.415) 10.272 9.403 ( 2.624 -4.773 -6.996) 8.866 9.673 ( -4.029 -4.829 -8.671) 10.712 11.737 ( -15.210 -30.256 10.124) 35.345 13.686 ( -2.824 2.524 -9.566) 10.289======================= Grid point 868 (297/417) =======================q-point: ( 0.56 0.31 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.126 ( 1.010 8.356 0.827) 8.458 2.278 ( 7.929 7.307 3.105) 11.220 2.938 ( 1.614 -0.151 -2.510) 2.988 3.286 ( 5.651 20.825 -2.797) 21.758 3.685 ( 2.756 4.262 -0.646) 5.116 5.297 ( 16.874 17.451 1.869) 24.347 7.638 ( 0.657 2.650 0.545) 2.784 7.776 ( 0.073 20.872 1.586) 20.933 9.358 ( 0.200 -6.417 -8.709) 10.819 9.563 ( 0.027 -3.004 -2.028) 3.625 11.135 ( -23.471 -26.527 3.468) 35.589 13.665 ( 2.332 -1.635 -2.870) 4.043======================= Grid point 869 (298/417) =======================q-point: ( 0.62 0.31 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.212 ( -0.713 8.193 0.089) 8.225 2.494 ( 8.495 6.514 -2.076) 10.904 2.905 ( -1.459 -2.551 -5.369) 6.121 3.528 ( 1.652 15.206 -0.768) 15.315 3.778 ( 0.202 8.349 3.187) 8.939 5.679 ( 11.443 9.479 1.416) 14.926 7.738 ( 7.854 3.677 -0.539) 8.689 7.975 ( -4.426 23.659 0.991) 24.090 9.251 ( -0.531 -6.381 -6.535) 9.149 9.581 ( 2.268 -2.544 1.930) 3.916 10.476 ( -25.730 -17.033 -1.638) 30.901 13.710 ( 6.936 -5.572 1.673) 9.053======================= Grid point 870 (299/417) =======================q-point: ( 0.69 0.31 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.262 ( -2.491 7.410 -0.419) 7.828 2.648 ( 3.047 3.833 -11.453) 12.456 2.855 ( 1.608 -0.460 -0.716) 1.820 3.638 ( 0.237 3.420 4.110) 5.352 3.866 ( -5.850 16.556 1.158) 17.597 5.896 ( 6.275 3.113 1.082) 7.088 7.934 ( 9.185 3.271 -3.276) 10.285 8.114 ( -5.101 22.750 0.283) 23.317 9.207 ( 3.426 -4.530 -2.686) 6.282 9.475 ( -10.485 -9.897 4.574) 15.127 10.034 ( -11.894 0.354 -3.879) 12.516 13.790 ( 8.915 -8.051 3.829) 12.608======================= Grid point 871 (300/417) =======================q-point: (-0.25 0.31 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.269 ( -4.135 5.559 -0.645) 6.958 2.583 ( -6.089 1.054 -11.060) 12.669 2.974 ( 8.493 2.703 -3.452) 9.558 3.654 ( -0.240 -2.711 7.382) 7.868 3.891 ( -12.155 18.755 -0.541) 22.356 5.969 ( 1.002 -1.718 0.962) 2.210 8.028 ( -1.090 4.509 -3.435) 5.772 8.269 ( -0.225 13.409 -2.478) 13.638 9.134 ( -5.780 -5.867 1.737) 8.417 9.349 ( 5.528 2.325 2.592) 6.533 9.932 ( -5.207 3.348 -2.756) 6.776 13.873 ( 8.741 -8.868 4.336) 13.185======================= Grid point 872 (301/417) =======================q-point: (-0.19 0.31 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.226 ( -5.314 2.786 -0.362) 6.011 2.441 ( -8.603 2.406 -6.979) 11.336 3.116 ( 6.789 0.985 -7.506) 10.168 3.646 ( 0.808 -3.419 8.289) 9.003 3.810 ( -17.387 16.261 -0.868) 23.822 5.900 ( -5.673 -5.073 1.192) 7.703 7.995 ( -4.159 0.331 -1.587) 4.463 8.267 ( -9.808 6.085 -0.843) 11.573 9.156 ( 8.236 4.296 -2.603) 9.647 9.569 ( 12.604 6.597 3.663) 14.690 9.857 ( -4.505 1.326 -3.261) 5.717 13.943 ( 7.898 -8.254 3.519) 11.953======================= Grid point 881 (302/417) =======================q-point: ( 0.38 0.38 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.730 ( -0.000 9.568 5.706) 11.140 1.863 ( -0.000 8.713 13.202) 15.818 2.258 ( 0.000 15.861 -4.568) 16.506 2.590 ( -0.000 13.882 8.518) 16.287 3.336 ( 0.000 25.950 -7.182) 26.925 4.007 ( 0.000 17.569 -3.445) 17.904 6.935 ( 0.000 13.624 1.198) 13.677 8.261 ( -0.000 -11.659 5.536) 12.907 9.604 ( 0.000 4.950 -26.647) 27.103 9.698 ( -0.000 -7.468 -0.649) 7.496 12.298 ( -0.000 -31.009 16.074) 34.927 13.829 ( 0.000 9.146 -16.072) 18.492======================= Grid point 882 (303/417) =======================q-point: ( 0.44 0.38 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.857 ( 3.558 6.711 3.272) 8.271 1.986 ( 0.733 7.615 10.277) 12.812 2.500 ( 9.042 18.585 -2.548) 20.824 2.763 ( 2.940 9.760 5.697) 11.677 3.507 ( 2.289 10.365 -11.414) 15.587 4.305 ( 5.640 31.930 1.387) 32.454 7.143 ( 7.444 14.923 0.863) 16.699 8.106 ( -5.870 -11.009 1.330) 12.546 9.451 ( -6.296 -1.181 -11.455) 13.124 9.700 ( 3.580 -5.144 -8.735) 10.751 12.004 ( -2.738 -33.719 15.800) 37.338 13.839 ( -3.351 7.723 -14.515) 16.779======================= Grid point 883 (304/417) =======================q-point: ( 0.50 0.38 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.007 ( 5.396 6.422 1.762) 8.571 2.109 ( 2.014 6.793 7.337) 10.200 2.842 ( 5.239 11.210 1.420) 12.455 2.942 ( 10.904 12.471 -1.483) 16.633 3.592 ( 2.223 6.893 -7.604) 10.501 4.776 ( 10.775 30.244 1.762) 32.154 7.478 ( 11.297 17.014 1.437) 20.474 7.892 ( -7.728 -4.983 -1.630) 9.339 9.334 ( -1.906 -2.845 -6.346) 7.211 9.635 ( -1.115 -6.076 -7.440) 9.670 11.628 ( -6.664 -34.865 12.671) 37.690 13.774 ( -6.376 4.952 -11.312) 13.897======================= Grid point 884 (305/417) =======================q-point: ( 0.56 0.38 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.173 ( 4.447 7.738 0.861) 8.966 2.243 ( 4.553 5.701 4.597) 8.624 2.909 ( 0.694 -0.213 -1.829) 1.968 3.333 ( 11.343 19.033 -2.916) 22.347 3.692 ( 3.266 7.506 -0.779) 8.222 5.242 ( 11.815 21.597 1.271) 24.650 7.686 ( -2.787 2.242 -0.283) 3.588 7.930 ( 7.935 19.075 1.431) 20.709 9.266 ( -0.048 -5.168 -6.414) 8.237 9.534 ( -1.488 -3.264 -3.856) 5.266 11.162 ( -12.085 -32.314 7.254) 35.255 13.668 ( -5.230 0.801 -6.608) 8.465======================= Grid point 885 (306/417) =======================q-point: ( 0.62 0.38 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.300 ( 0.817 8.290 1.223) 8.419 2.414 ( 7.525 5.319 0.038) 9.215 2.885 ( -0.668 -2.103 -3.641) 4.258 3.589 ( 2.878 7.672 -1.121) 8.270 3.895 ( 5.274 18.090 1.819) 18.931 5.598 ( 9.634 11.391 0.996) 14.952 7.697 ( 1.763 4.146 0.571) 4.542 8.252 ( 2.231 22.721 2.365) 22.952 9.170 ( -0.878 -7.072 -6.451) 9.612 9.530 ( 2.462 0.820 -0.371) 2.622 10.639 ( -16.426 -24.234 1.328) 29.306 13.588 ( -0.033 -4.243 -1.930) 4.662======================= Grid point 886 (307/417) =======================q-point: ( 0.69 0.38 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.376 ( -1.542 7.509 0.404) 7.677 2.586 ( 6.322 5.546 -5.214) 9.895 2.838 ( -0.871 -1.549 -2.129) 2.773 3.641 ( 0.394 -1.021 3.117) 3.304 4.162 ( -1.143 24.650 0.168) 24.677 5.808 ( 6.863 2.160 0.985) 7.262 7.818 ( 6.027 4.378 0.188) 7.451 8.456 ( -4.459 21.358 2.265) 21.936 9.092 ( 2.063 -5.980 -4.086) 7.531 9.551 ( -3.452 -0.861 3.107) 4.724 10.196 ( -12.279 -9.141 -4.156) 15.862 13.575 ( 5.813 -8.461 1.234) 10.339======================= Grid point 887 (308/417) =======================q-point: ( 0.75 0.38 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.393 ( -3.896 5.201 -0.562) 6.523 2.663 ( -2.181 6.050 -8.933) 11.007 2.860 ( 5.373 0.448 -0.643) 5.430 3.627 ( 0.346 -5.166 5.721) 7.716 4.317 ( -10.022 25.262 -0.622) 27.185 5.896 ( 4.484 -4.248 1.087) 6.272 7.940 ( 4.620 -0.371 -1.685) 4.932 8.565 ( -5.976 18.378 2.330) 19.465 9.086 ( 3.401 -5.786 -2.013) 7.007 9.426 ( -8.545 3.670 4.820) 10.474 10.025 ( -4.373 1.069 -5.973) 7.480 13.620 ( 9.399 -10.455 2.385) 14.260======================= Grid point 888 (309/417) =======================q-point: (-0.19 0.38 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.347 ( -5.532 2.603 -0.300) 6.121 2.614 ( -7.726 7.239 -5.877) 12.109 2.979 ( 7.432 0.691 -5.287) 9.147 3.602 ( 1.378 -6.242 7.189) 9.620 4.307 ( -17.774 21.306 -0.683) 27.755 5.890 ( 0.825 -6.727 1.149) 6.874 7.942 ( 0.464 -6.152 -1.247) 6.294 8.609 ( -10.279 13.767 2.016) 17.299 9.081 ( 3.716 -0.194 -1.902) 4.179 9.495 ( 5.193 10.914 4.211) 12.798 9.932 ( -5.506 -0.679 -5.591) 7.876 13.696 ( 10.318 -10.162 1.665) 14.577======================= Grid point 898 (310/417) =======================q-point: ( 0.44 0.44 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.890 ( -0.000 5.152 1.765) 5.446 2.078 ( -0.000 5.977 8.704) 10.558 2.584 ( 0.000 17.843 -2.149) 17.972 2.842 ( -0.000 6.829 2.767) 7.368 3.549 ( 0.000 8.569 -9.423) 12.736 4.601 ( 0.000 34.654 1.458) 34.685 7.205 ( 0.000 12.540 -0.768) 12.564 8.057 ( 0.000 -8.538 -2.611) 8.928 9.466 ( 0.000 -4.308 -15.328) 15.922 9.583 ( -0.000 -3.447 0.687) 3.515 11.728 ( -0.000 -36.323 15.438) 39.468 13.909 ( 0.000 8.230 -12.838) 15.249======================= Grid point 899 (311/417) =======================q-point: ( 0.50 0.44 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.978 ( 4.168 4.580 0.875) 6.255 2.165 ( 1.053 4.869 6.894) 8.506 2.850 ( 9.972 16.746 -0.929) 19.512 2.898 ( 1.360 2.881 -1.306) 3.443 3.619 ( 1.067 8.182 -5.289) 9.801 4.970 ( 3.724 31.070 0.924) 31.306 7.416 ( 10.950 11.822 -0.949) 16.142 7.934 ( -4.128 -4.586 -5.982) 8.594 9.338 ( -3.358 -4.305 -6.894) 8.794 9.575 ( 0.316 -2.131 -1.410) 2.575 11.383 ( -2.477 -37.614 13.077) 39.900 13.904 ( -5.161 6.853 -10.746) 13.751======================= Grid point 900 (312/417) =======================q-point: ( 0.56 0.44 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.127 ( 7.143 4.981 0.401) 8.718 2.259 ( 2.307 4.277 5.549) 7.376 2.896 ( -0.226 -0.451 -2.604) 2.652 3.263 ( 15.750 16.615 -1.646) 22.953 3.711 ( 2.293 7.068 -1.205) 7.528 5.329 ( 5.358 23.706 0.493) 24.309 7.734 ( 4.309 6.317 -1.964) 7.895 7.879 ( 9.603 7.130 -3.640) 12.502 9.229 ( -2.665 -4.561 -3.812) 6.514 9.541 ( -2.236 0.812 -1.317) 2.719 10.986 ( -4.870 -36.158 9.444) 37.687 13.802 ( -9.177 4.110 -8.132) 12.932======================= Grid point 901 (313/417) =======================q-point: ( 0.62 0.44 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.316 ( 8.153 5.861 -0.295) 10.046 2.360 ( 2.679 3.907 4.101) 6.266 2.868 ( -0.703 -1.524 -2.761) 3.231 3.601 ( 4.912 8.785 -1.854) 10.234 3.903 ( 12.038 12.918 1.336) 17.708 5.608 ( 4.286 14.386 0.366) 15.015 7.739 ( -1.140 4.396 -1.791) 4.882 8.290 ( 16.337 14.662 0.056) 21.951 9.121 ( -2.827 -5.254 -3.381) 6.858 9.533 ( -0.577 4.199 -0.897) 4.333 10.573 ( -6.905 -30.155 5.408) 31.405 13.639 ( -9.081 0.272 -4.960) 10.351======================= Grid point 902 (314/417) =======================q-point: ( 0.69 0.44 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.446 ( 1.423 3.867 2.016) 4.587 2.512 ( 7.482 6.576 -1.657) 10.098 2.832 ( -0.793 -1.345 -1.676) 2.291 3.649 ( -1.396 0.070 0.496) 1.483 4.309 ( 11.960 20.363 0.378) 23.618 5.753 ( 1.896 3.849 0.358) 4.306 7.804 ( 2.473 5.728 0.365) 6.250 8.632 ( 6.001 13.089 0.961) 14.431 9.016 ( -1.732 -4.996 -2.839) 6.001 9.598 ( 1.483 5.711 0.086) 5.901 10.219 ( -6.260 -17.749 0.969) 18.846 13.489 ( -4.275 -4.094 -1.740) 6.170======================= Grid point 903 (315/417) =======================q-point: ( 0.75 0.44 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.487 ( -1.494 3.341 -0.115) 3.662 2.685 ( 5.196 7.623 -3.583) 9.896 2.814 ( 0.188 -0.209 -0.372) 0.466 3.598 ( -1.736 -4.826 2.533) 5.720 4.661 ( 1.606 24.584 -0.266) 24.638 5.767 ( 2.186 -6.695 0.583) 7.067 7.900 ( 2.101 3.036 0.473) 3.722 8.767 ( -1.598 8.219 1.633) 8.531 8.964 ( 2.407 -4.788 -2.251) 5.812 9.639 ( -5.254 6.749 4.284) 9.566 10.053 ( -1.251 -2.363 -4.869) 5.555 13.415 ( 2.765 -7.394 0.397) 7.904======================= Grid point 904 (316/417) =======================q-point: (-0.19 0.44 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.462 ( -4.516 2.699 0.055) 5.261 2.787 ( -3.798 9.313 -4.059) 10.846 2.849 ( 6.035 -0.081 -2.746) 6.630 3.530 ( 0.504 -7.734 4.845) 9.140 4.805 ( -13.320 23.055 -0.599) 26.633 5.740 ( 5.961 -11.575 0.912) 13.052 7.911 ( -1.486 -1.924 0.508) 2.484 8.809 ( -2.256 5.484 1.962) 6.246 8.978 ( 4.922 -2.890 -2.508) 6.235 9.639 ( -4.289 9.345 5.770) 11.791 10.005 ( -4.376 2.605 -6.511) 8.267 13.436 ( 8.137 -8.020 0.424) 11.433======================= Grid point 915 (317/417) =======================q-point: ( 0.50 0.50 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.981 ( 0.000 3.619 0.404) 3.642 2.215 ( -0.000 3.206 6.018) 6.818 2.901 ( 0.000 0.355 -2.742) 2.765 2.908 ( 0.000 15.229 -1.007) 15.262 3.680 ( 0.000 8.114 -2.696) 8.550 5.237 ( 0.000 27.399 -0.037) 27.399 7.399 ( 0.000 7.663 -1.987) 7.916 7.908 ( 0.000 -2.191 -9.424) 9.675 9.296 ( 0.000 -5.320 -3.810) 6.543 9.585 ( -0.000 2.812 1.457) 3.167 11.061 ( -0.000 -38.786 11.223) 40.377 13.992 ( 0.000 7.145 -9.303) 11.731======================= Grid point 916 (318/417) =======================q-point: ( 0.56 0.50 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.060 ( 4.921 3.360 0.235) 5.964 2.275 ( 1.695 2.396 5.953) 6.638 2.886 ( -0.302 -0.681 -3.142) 3.229 3.156 ( 11.994 13.616 -0.729) 18.160 3.752 ( 0.438 6.303 -1.022) 6.400 5.498 ( 1.896 21.368 -0.604) 21.461 7.590 ( 14.436 6.615 -1.479) 15.949 7.851 ( -1.856 1.228 -8.908) 9.182 9.226 ( -2.249 -3.447 -0.344) 4.130 9.611 ( -2.029 4.786 0.772) 5.255 10.697 ( -1.309 -37.477 8.434) 38.436 13.973 ( -6.715 5.934 -7.759) 11.853======================= Grid point 917 (319/417) =======================q-point: ( 0.62 0.50 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.211 ( 8.276 3.294 -0.095) 8.908 2.360 ( 3.135 2.392 6.365) 7.488 2.861 ( -0.703 -0.682 -2.518) 2.702 3.539 ( 14.695 11.761 -1.304) 18.867 3.825 ( 4.493 4.285 0.121) 6.210 5.710 ( 1.659 14.654 -0.500) 14.756 7.801 ( -1.641 5.100 -4.084) 6.736 8.022 ( 23.930 6.686 -2.316) 24.955 9.144 ( -4.226 -1.914 0.505) 4.667 9.614 ( -3.073 4.608 -0.503) 5.561 10.347 ( -1.309 -31.618 6.313) 32.269 13.836 ( -11.867 3.826 -5.986) 13.831======================= Grid point 918 (320/417) =======================q-point: ( 0.69 0.50 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.382 ( 7.584 1.581 -0.261) 7.751 2.478 ( 5.112 4.467 5.381) 8.663 2.834 ( -1.135 -0.261 -1.434) 1.848 3.690 ( -1.938 2.054 -1.858) 3.380 4.158 ( 21.847 10.740 0.605) 24.352 5.821 ( -1.973 7.283 -0.324) 7.552 7.833 ( 0.456 5.634 -1.164) 5.771 8.496 ( 20.613 7.135 -1.750) 21.884 9.048 ( -5.408 -0.774 0.404) 5.478 9.607 ( 0.936 0.612 -2.679) 2.903 10.095 ( -0.587 -18.514 5.966) 19.460 13.625 ( -12.907 1.262 -3.719) 13.491======================= Grid point 919 (321/417) =======================q-point: ( 0.75 0.50 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.484 ( 3.817 0.120 0.446) 3.845 2.657 ( 6.432 7.018 2.144) 9.758 2.813 ( -0.544 0.030 -0.173) 0.571 3.617 ( -4.558 -2.785 -1.439) 5.532 4.658 ( 20.661 13.490 0.301) 24.677 5.772 ( -7.150 -1.224 -0.291) 7.260 7.902 ( 1.649 3.233 0.070) 3.630 8.782 ( 7.108 3.269 -1.297) 7.930 8.950 ( -4.928 -0.811 0.588) 5.029 9.678 ( 6.725 0.951 -3.903) 7.834 10.005 ( 1.280 -4.494 5.109) 6.923 13.423 ( -8.797 -1.129 -1.302) 8.964======================= Grid point 920 (322/417) =======================q-point: ( 0.81 0.50 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1032Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.526 ( 0.410 0.710 -0.000) 0.820 2.781 ( 1.135 1.965 -0.000) 2.269 2.868 ( 3.869 6.701 0.000) 7.737 3.489 ( -3.858 -6.682 -0.000) 7.716 5.103 ( 10.671 18.483 -0.000) 21.343 5.565 ( -7.301 -12.646 -0.000) 14.602 7.924 ( -0.594 -1.029 -0.000) 1.188 8.879 ( -1.387 -2.399 0.001) 2.771 8.879 ( 2.355 4.076 -0.001) 4.707 9.740 ( -0.318 -0.550 -0.000) 0.635 10.061 ( 2.452 4.247 0.000) 4.904 13.316 ( -1.132 -1.961 -0.000) 2.265======================= Grid point 933 (323/417) =======================q-point: ( 0.56 0.56 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.045 ( 0.000 2.571 0.331) 2.592 2.296 ( -0.000 1.261 6.951) 7.064 2.874 ( 0.000 -0.454 -2.616) 2.655 3.165 ( 0.000 10.866 -0.409) 10.874 3.804 ( 0.000 4.869 -0.898) 4.951 5.668 ( 0.000 16.508 -1.396) 16.567 7.494 ( 0.000 3.426 -1.115) 3.603 7.868 ( 0.000 4.130 -7.764) 8.794 9.229 ( -0.000 -0.871 2.065) 2.241 9.689 ( 0.000 6.048 0.590) 6.077 10.357 ( -0.000 -36.485 5.626) 36.916 14.071 ( 0.000 5.894 -6.926) 9.094======================= Grid point 934 (324/417) =======================q-point: ( 0.62 0.56 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.116 ( 5.301 2.159 0.350) 5.734 2.351 ( 2.218 0.791 8.666) 8.980 2.862 ( -0.422 0.453 -1.845) 1.946 3.377 ( 12.921 8.779 -0.341) 15.625 3.833 ( -0.435 2.400 -1.339) 2.782 5.815 ( 1.166 11.606 -1.227) 11.728 7.679 ( 17.558 3.333 -0.454) 17.877 7.885 ( -2.044 6.674 -3.729) 7.914 9.214 ( -3.043 1.379 2.373) 4.098 9.707 ( -4.095 1.738 -1.017) 4.564 10.050 ( 2.508 -28.634 3.734) 28.985 14.037 ( -7.669 4.790 -5.996) 10.850======================= Grid point 935 (325/417) =======================q-point: ( 0.69 0.56 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.257 ( 8.097 1.359 0.020) 8.211 2.442 ( 4.344 0.549 9.341) 10.317 2.857 ( -1.056 1.863 -0.905) 2.325 3.701 ( 7.886 5.389 -2.611) 9.902 3.880 ( 12.089 1.441 -0.031) 12.175 5.916 ( -0.423 6.778 -0.839) 6.842 7.906 ( -2.046 6.287 -0.296) 6.618 8.120 ( 26.482 5.008 -0.493) 26.956 9.165 ( -5.857 2.639 1.812) 6.674 9.553 ( -2.857 -13.020 -3.484) 13.777 9.951 ( 3.411 -7.851 4.425) 9.636 13.876 ( -13.334 3.495 -4.609) 14.535======================= Grid point 936 (326/417) =======================q-point: ( 0.75 0.56 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.389 ( 6.292 -0.960 0.364) 6.375 2.585 ( 8.273 1.631 7.264) 11.130 2.855 ( -2.205 3.233 0.441) 3.938 3.675 ( -5.055 -1.210 -4.331) 6.766 4.311 ( 26.962 3.820 0.657) 27.239 5.905 ( -5.967 1.855 -0.872) 6.309 7.927 ( -1.467 3.125 1.086) 3.619 8.586 ( 19.507 3.861 -2.037) 19.990 9.070 ( -7.236 0.614 1.356) 7.388 9.471 ( 8.284 -5.919 -4.474) 11.120 9.967 ( 1.869 -2.713 5.977) 6.825 13.644 ( -14.836 2.662 -2.564) 15.289======================= Grid point 951 (327/417) =======================q-point: ( 0.62 0.62 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.088 ( -0.000 1.467 0.710) 1.630 2.365 ( -0.000 -0.267 11.089) 11.092 2.874 ( 0.000 2.131 -0.708) 2.245 3.329 ( 0.000 5.700 -0.070) 5.700 3.851 ( 0.000 0.925 -2.479) 2.645 5.898 ( 0.000 8.055 -1.007) 8.118 7.544 ( -0.000 2.102 1.118) 2.381 7.981 ( 0.000 9.370 0.742) 9.399 9.276 ( -0.000 3.933 2.176) 4.495 9.716 ( -0.000 -28.825 -0.378) 28.827 9.794 ( 0.000 3.859 -1.266) 4.062 14.132 ( 0.000 4.126 -5.810) 7.126======================= Grid point 952 (328/417) =======================q-point: ( 0.69 0.62 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.149 ( 5.196 0.777 0.653) 5.295 2.411 ( 2.156 -1.827 11.810) 12.143 2.902 ( -0.588 4.397 0.834) 4.513 3.497 ( 13.767 3.341 -0.155) 14.168 3.829 ( -1.256 -1.103 -3.617) 3.984 5.965 ( 0.513 4.310 -0.598) 4.382 7.730 ( 17.421 1.920 1.010) 17.556 8.067 ( -2.526 10.302 5.605) 11.997 9.292 ( -4.286 3.033 1.207) 5.387 9.428 ( -2.169 -17.313 -3.878) 17.874 9.855 ( 3.860 -0.362 -0.363) 3.894 14.081 ( -7.737 3.168 -5.226) 9.860======================= Grid point 954 (329/417) =======================q-point: (-0.25 -0.38 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.264 ( 6.935 -0.795 0.307) 6.987 2.482 ( 5.413 -3.090 9.786) 11.602 2.943 ( -1.743 6.199 2.969) 7.091 3.718 ( -1.355 -0.374 -5.939) 6.103 3.885 ( 21.466 -1.528 0.746) 21.533 5.978 ( -1.781 0.041 -0.858) 1.977 8.000 ( 1.960 1.624 2.399) 3.498 8.241 ( 18.099 5.445 3.187) 19.167 9.151 ( -4.043 -7.114 -1.806) 8.380 9.372 ( 0.011 5.357 -2.165) 5.778 9.908 ( 3.500 -2.510 2.151) 4.814 13.912 ( -13.004 2.860 -3.834) 13.855======================= Grid point 970 (330/417) =======================q-point: (-0.31 -0.31 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.110 ( -0.000 0.122 1.010) 1.018 2.405 ( -0.000 -3.856 12.222) 12.816 2.970 ( -0.000 6.807 3.445) 7.629 3.388 ( -0.000 0.238 0.095) 0.256 3.813 ( 0.000 -2.084 -5.164) 5.568 5.986 ( 0.000 0.964 -0.222) 0.989 7.598 ( -0.000 1.913 2.935) 3.503 8.227 ( -0.000 10.222 10.540) 14.683 9.233 ( 0.000 -15.317 -4.777) 16.044 9.418 ( 0.000 8.845 -0.893) 8.890 9.807 ( 0.000 -1.312 -2.719) 3.019 14.158 ( 0.000 2.160 -5.541) 5.947======================= Grid point 971 (331/417) =======================q-point: (-0.25 -0.31 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.153 ( 4.617 -0.919 0.747) 4.766 2.408 ( 1.895 -5.742 10.266) 11.915 3.052 ( -1.040 7.821 5.990) 9.906 3.506 ( 14.258 -2.378 -0.064) 14.455 3.753 ( -1.764 -2.914 -6.323) 7.182 5.973 ( -0.195 -3.502 -0.625) 3.563 7.769 ( 15.437 0.672 2.140) 15.599 8.291 ( -5.134 3.161 10.133) 11.791 9.116 ( -0.577 -1.919 -3.160) 3.742 9.490 ( -2.629 11.338 -2.294) 11.863 9.814 ( 4.032 -3.219 -1.141) 5.284 14.096 ( -6.970 1.768 -5.065) 8.795======================= Grid point 988 (332/417) =======================q-point: (-0.25 -0.25 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.103 ( -0.000 -1.574 0.948) 1.837 2.359 ( -0.000 -7.471 9.140) 11.805 3.162 ( -0.000 7.014 8.162) 10.762 3.340 ( -0.000 -5.174 0.112) 5.175 3.720 ( 0.000 -2.208 -7.452) 7.772 5.913 ( -0.000 -8.369 -0.978) 8.426 7.644 ( -0.000 0.243 2.966) 2.976 8.361 ( -0.000 -6.467 6.438) 9.126 9.176 ( -0.000 13.871 3.933) 14.418 9.642 ( 0.000 14.746 -3.815) 15.231 9.717 ( 0.000 -5.396 -2.721) 6.043 14.152 ( 0.000 1.097 -5.697) 5.802======================= Grid point 1109 (333/417) =======================q-point: ( 0.25 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 417Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.818 ( -0.000 0.000 18.994) 18.994 0.818 ( -0.000 0.000 18.994) 18.994 1.715 ( -0.000 0.000 41.751) 41.751 1.908 ( 0.000 -0.000 -5.679) 5.679 1.908 ( 0.000 -0.000 -5.679) 5.679 4.547 ( 0.000 -0.000 -17.735) 17.735 6.456 ( -0.000 0.000 3.274) 3.274 6.456 ( -0.000 0.000 3.274) 3.274 10.042 ( 0.000 -0.000 -1.807) 1.807 10.042 ( 0.000 -0.000 -1.807) 1.807 13.176 ( -0.000 0.000 1.509) 1.509 13.446 ( 0.000 -0.000 -0.855) 0.855======================= Grid point 1110 (334/417) =======================q-point: ( 0.31 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.996 ( 11.430 6.599 15.986) 20.730 1.231 ( 18.757 10.829 17.000) 27.533 1.917 ( 2.716 1.568 -5.984) 6.756 1.964 ( 11.602 6.699 33.992) 36.537 2.055 ( 15.103 8.720 -6.476) 18.603 4.157 ( -14.832 -8.563 -9.164) 19.424 6.516 ( 4.293 2.478 3.101) 5.847 7.524 ( 61.828 35.696 -19.245) 73.941 9.726 ( -22.747 -13.133 -3.695) 26.525 10.001 ( -3.228 -1.864 -1.806) 4.142 13.118 ( -6.698 -3.867 4.409) 8.903 13.550 ( 8.260 4.769 -8.598) 12.841======================= Grid point 1111 (335/417) =======================q-point: ( 0.38 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.360 ( 14.743 8.512 11.609) 20.605 1.570 ( 7.173 4.141 18.811) 20.553 2.003 ( 6.836 3.947 -6.024) 9.930 2.326 ( 13.876 8.011 12.263) 20.177 2.673 ( 34.568 19.958 1.062) 39.930 3.915 ( -4.546 -2.625 -9.665) 10.998 6.668 ( 8.004 4.621 2.620) 9.607 8.442 ( 10.506 6.066 -0.250) 12.134 9.286 ( -0.661 -0.382 -22.272) 22.285 9.891 ( -5.561 -3.210 -1.752) 6.656 12.919 ( -12.399 -7.158 10.817) 17.943 13.650 ( 3.091 1.785 -16.508) 16.890======================= Grid point 1112 (336/417) =======================q-point: ( 0.44 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.683 ( 9.923 5.729 6.807) 13.328 1.768 ( 6.538 3.775 14.428) 16.284 2.216 ( 13.240 7.644 -4.024) 15.809 2.676 ( 12.872 7.432 8.916) 17.333 3.393 ( 22.070 12.742 -10.475) 27.553 3.943 ( 13.897 8.023 -1.266) 16.097 6.891 ( 10.467 6.043 1.915) 12.237 8.164 ( -20.590 -11.888 5.203) 24.338 9.499 ( 12.924 7.462 -22.011) 26.593 9.752 ( -5.667 -3.272 -1.530) 6.720 12.600 ( -19.697 -11.372 13.012) 26.203 13.622 ( 0.569 0.328 -15.928) 15.941======================= Grid point 1113 (337/417) =======================q-point: ( 0.50 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.868 ( 5.677 3.278 2.430) 6.991 1.981 ( 8.820 5.092 8.794) 13.456 2.553 ( 15.760 9.099 -1.357) 18.248 2.933 ( 6.932 4.002 3.938) 8.921 3.579 ( 4.764 2.750 -12.300) 13.474 4.541 ( 29.837 17.227 3.636) 34.644 7.142 ( 10.553 6.093 0.941) 12.222 7.786 ( -11.996 -6.926 2.332) 14.047 9.584 ( 0.397 0.229 -15.485) 15.492 9.642 ( -3.141 -1.813 -0.928) 3.744 12.064 ( -29.717 -17.157 7.111) 35.043 13.631 ( 3.800 2.194 -7.081) 8.330======================= Grid point 1114 (338/417) =======================q-point: ( 0.56 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.981 ( 3.988 2.302 0.407) 4.623 2.223 ( 10.247 5.916 3.289) 12.281 2.893 ( 13.594 7.848 -0.413) 15.702 3.008 ( 0.143 0.082 -4.242) 4.245 3.661 ( 4.411 2.547 -2.851) 5.837 5.174 ( 23.383 13.500 2.577) 27.123 7.361 ( 8.060 4.654 -0.386) 9.315 7.653 ( 0.007 0.004 0.876) 0.876 9.478 ( -4.682 -2.703 -10.843) 12.116 9.615 ( 0.902 0.521 0.196) 1.060 11.311 ( -35.997 -20.783 0.957) 41.577 13.739 ( 5.898 3.405 0.773) 6.854======================= Grid point 1115 (339/417) =======================q-point: ( 0.62 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.058 ( 2.769 1.599 -0.511) 3.238 2.460 ( 10.017 5.783 -3.194) 11.999 2.948 ( -3.045 -1.758 -7.278) 8.083 3.161 ( 9.634 5.562 -0.173) 11.126 3.740 ( 2.078 1.200 3.256) 4.045 5.619 ( 14.932 8.621 1.620) 17.318 7.505 ( 4.896 2.827 -1.811) 5.937 7.773 ( 9.738 5.622 -1.333) 11.324 9.350 ( -3.279 -1.893 -6.137) 7.211 9.674 ( 3.461 1.998 1.558) 4.289 10.470 ( -35.926 -20.742 -1.224) 41.502 13.884 ( 5.600 3.233 4.640) 7.959======================= Grid point 1116 (340/417) =======================q-point: ( 0.69 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.105 ( 1.495 0.863 -0.950) 1.970 2.617 ( 3.786 2.186 -14.001) 14.668 2.882 ( 1.020 0.589 -1.541) 1.939 3.329 ( 5.017 2.897 -0.117) 5.795 3.771 ( -0.593 -0.343 5.777) 5.818 5.881 ( 7.818 4.514 0.675) 9.053 7.584 ( 2.914 1.683 -2.849) 4.409 8.049 ( 14.350 8.285 -5.864) 17.577 9.312 ( 1.349 0.779 -1.750) 2.343 9.706 ( -29.419 -16.985 0.804) 33.979 9.755 ( 2.404 1.388 2.604) 3.806 14.012 ( 3.943 2.276 6.049) 7.571======================= Grid point 1117 (341/417) =======================q-point: (-0.25 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.120 ( 0.113 0.065 -1.084) 1.092 2.531 ( -4.916 -2.838 -13.961) 15.070 3.006 ( 8.129 4.693 -3.833) 10.139 3.389 ( 0.222 0.128 -0.106) 0.277 3.754 ( -2.460 -1.420 7.005) 7.559 5.983 ( 0.807 0.466 0.353) 0.997 7.628 ( 1.830 1.057 -3.255) 3.881 8.337 ( 11.110 6.414 -12.249) 17.737 9.186 ( -14.522 -8.384 5.007) 17.500 9.407 ( 6.975 4.027 1.451) 8.184 9.780 ( -1.267 -0.732 3.022) 3.358 14.100 ( 2.044 1.180 6.290) 6.719======================= Grid point 1126 (342/417) =======================q-point: ( 0.31 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.123 ( -0.000 14.684 14.557) 20.677 1.241 ( -0.000 23.925 16.076) 28.824 1.908 ( 0.000 3.732 -6.741) 7.705 2.015 ( 0.000 13.574 -3.891) 14.121 2.067 ( -0.000 12.270 31.891) 34.170 4.126 ( 0.000 -16.242 -10.998) 19.615 6.528 ( -0.000 5.264 3.017) 6.067 7.449 ( 0.000 66.535 -15.058) 68.217 9.784 ( 0.000 -19.271 -5.370) 20.005 9.979 ( 0.000 -4.599 -1.641) 4.883 13.119 ( -0.000 -9.271 4.643) 10.369 13.512 ( 0.000 7.237 -7.296) 10.277======================= Grid point 1127 (343/417) =======================q-point: ( 0.38 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.362 ( 5.402 16.822 12.269) 21.510 1.580 ( 6.128 11.160 16.650) 20.960 1.960 ( 3.072 7.013 -6.811) 10.247 2.252 ( 9.305 12.043 7.882) 17.139 2.468 ( 17.090 27.334 9.782) 33.689 3.922 ( -3.984 -5.906 -11.012) 13.116 6.640 ( 4.118 8.113 2.700) 9.491 8.228 ( 22.677 30.711 -7.050) 38.821 9.392 ( -16.488 -10.256 -14.185) 24.047 9.914 ( -1.746 -5.125 -2.176) 5.835 12.979 ( -4.420 -14.752 9.498) 18.093 13.588 ( 2.605 5.879 -13.743) 15.173======================= Grid point 1128 (344/417) =======================q-point: ( 0.44 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.658 ( 6.404 11.967 8.494) 16.011 1.781 ( 3.393 6.062 14.571) 16.142 2.133 ( 8.001 13.541 -5.037) 16.515 2.576 ( 11.451 9.767 9.874) 18.001 3.133 ( 23.046 23.438 -4.705) 33.205 3.860 ( 3.743 5.633 -6.575) 9.432 6.842 ( 6.881 11.359 2.356) 13.488 8.364 ( -13.572 -14.636 7.589) 21.355 9.291 ( 9.398 11.471 -22.476) 26.927 9.811 ( -4.068 -3.051 -3.353) 6.091 12.733 ( -9.382 -19.483 12.903) 25.182 13.598 ( -0.936 4.274 -16.417) 16.990======================= Grid point 1129 (345/417) =======================q-point: ( 0.50 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.854 ( 3.670 7.463 3.532) 9.036 1.951 ( 5.046 6.228 10.400) 13.130 2.457 ( 11.153 17.881 -1.531) 21.130 2.862 ( 8.522 5.679 6.202) 11.972 3.476 ( 6.812 5.736 -13.721) 16.357 4.273 ( 24.357 22.315 2.922) 33.163 7.103 ( 7.287 14.215 1.927) 16.090 7.952 ( -15.732 -11.250 3.826) 19.715 9.446 ( 6.598 -1.098 -12.644) 14.304 9.703 ( -4.449 -1.133 -4.877) 6.698 12.313 ( -19.225 -23.729 8.764) 31.772 13.586 ( 1.025 3.891 -10.023) 10.800======================= Grid point 1130 (346/417) =======================q-point: ( 0.56 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.977 ( 2.101 6.446 1.005) 6.854 2.149 ( 7.298 6.687 5.683) 11.414 2.812 ( 9.527 15.400 0.233) 18.110 2.997 ( 2.215 3.167 -2.412) 4.556 3.592 ( 5.697 4.515 -5.419) 9.066 4.932 ( 24.005 19.258 2.605) 30.885 7.365 ( 4.576 15.704 1.172) 16.399 7.694 ( -6.208 -3.619 2.699) 7.676 9.440 ( 0.849 -4.632 -9.811) 10.883 9.611 ( -1.882 -1.939 -2.466) 3.659 11.661 ( -29.350 -24.755 1.666) 38.432 13.657 ( 5.539 1.820 -1.277) 5.968======================= Grid point 1131 (347/417) =======================q-point: ( 0.62 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.066 ( 0.874 6.051 -0.097) 6.115 2.359 ( 8.047 6.416 -0.042) 10.292 2.935 ( -0.686 -2.041 -5.062) 5.501 3.159 ( 4.938 17.103 -1.300) 17.850 3.712 ( 3.984 2.798 1.381) 5.060 5.455 ( 16.990 12.930 1.970) 21.441 7.566 ( -0.086 16.171 -0.002) 16.171 7.683 ( 4.479 2.017 1.557) 5.153 9.342 ( -2.080 -4.790 -7.562) 9.190 9.617 ( 3.713 -0.682 0.574) 3.818 10.868 ( -33.995 -21.971 -2.244) 40.539 13.786 ( 7.941 -0.901 3.705) 8.809======================= Grid point 1132 (348/417) =======================q-point: ( 0.69 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.127 ( -0.424 5.535 -0.636) 5.588 2.529 ( 5.599 4.667 -8.782) 11.412 2.871 ( -1.057 -1.611 -3.113) 3.661 3.375 ( 1.184 15.289 -0.189) 15.336 3.780 ( 1.006 0.481 4.112) 4.261 5.790 ( 9.891 7.313 1.268) 12.366 7.684 ( -4.178 15.889 -1.071) 16.464 7.869 ( 11.919 4.829 -1.790) 12.984 9.271 ( 1.140 -2.945 -3.636) 4.816 9.671 ( 1.745 -5.054 2.661) 5.972 10.114 ( -29.270 -11.626 -2.594) 31.601 13.921 ( 8.011 -3.104 5.547) 10.226======================= Grid point 1133 (349/417) =======================q-point: ( 0.75 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.157 ( -1.785 4.719 -0.849) 5.116 2.536 ( -2.697 0.071 -14.155) 14.410 2.912 ( 5.763 2.485 -1.124) 6.376 3.495 ( -3.774 13.199 0.177) 13.729 3.786 ( -1.190 -1.627 5.274) 5.646 5.959 ( 3.778 2.588 0.602) 4.619 7.744 ( -6.039 15.222 -1.854) 16.481 8.130 ( 13.434 4.142 -7.456) 15.913 9.301 ( 3.245 -3.333 -0.718) 4.707 9.388 ( -14.397 -10.955 4.327) 18.602 9.850 ( -4.072 4.226 0.446) 5.886 14.028 ( 6.634 -4.549 5.773) 9.901======================= Grid point 1143 (350/417) =======================q-point: ( 0.38 0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.512 ( -0.000 14.742 10.458) 18.074 1.709 ( -0.000 12.403 14.664) 19.206 1.983 ( 0.000 9.190 -7.640) 11.951 2.337 ( -0.000 15.398 8.326) 17.505 2.664 ( 0.000 33.369 7.519) 34.206 3.867 ( 0.000 -2.813 -11.255) 11.601 6.700 ( 0.000 10.123 2.111) 10.341 8.323 ( 0.000 20.558 1.580) 20.619 9.406 ( 0.000 -4.352 -22.639) 23.053 9.848 ( -0.000 -7.331 -1.050) 7.406 12.869 ( -0.000 -20.779 11.869) 23.930 13.596 ( 0.000 8.281 -14.235) 16.468======================= Grid point 1144 (351/417) =======================q-point: ( 0.44 0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.711 ( 4.009 10.336 7.449) 13.356 1.862 ( 0.708 8.285 12.118) 14.696 2.137 ( 6.727 15.500 -5.604) 17.802 2.566 ( 5.763 12.534 10.176) 17.142 3.097 ( 9.806 28.312 -3.501) 30.166 3.862 ( 1.996 9.481 -7.030) 11.971 6.866 ( 5.340 12.769 1.734) 13.949 8.390 ( -3.733 -12.198 8.105) 15.113 9.297 ( -3.229 10.789 -23.307) 25.886 9.785 ( 0.607 -5.857 -3.059) 6.635 12.652 ( -3.306 -25.593 14.125) 29.418 13.626 ( -1.066 7.940 -15.747) 17.667======================= Grid point 1145 (352/417) =======================q-point: ( 0.50 0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.881 ( 3.897 7.200 3.531) 8.916 1.991 ( 1.805 7.105 8.991) 11.601 2.468 ( 10.672 20.664 -1.697) 23.319 2.809 ( 6.828 6.981 7.160) 12.109 3.397 ( 5.939 10.119 -12.104) 16.857 4.187 ( 14.680 27.198 1.185) 30.930 7.139 ( 8.268 16.528 1.841) 18.572 8.089 ( -12.702 -14.359 2.968) 19.399 9.326 ( 2.411 2.637 -11.380) 11.928 9.716 ( -1.671 -4.085 -5.463) 7.023 12.318 ( -9.175 -29.564 11.944) 33.180 13.617 ( -2.505 6.586 -12.736) 14.555======================= Grid point 1146 (353/417) =======================q-point: ( 0.56 0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.020 ( 2.612 7.757 1.292) 8.287 2.134 ( 4.333 6.543 6.016) 9.889 2.834 ( 7.004 14.942 1.920) 16.614 2.976 ( 6.022 7.926 -2.142) 10.182 3.536 ( 5.178 7.454 -6.087) 10.928 4.775 ( 19.640 25.061 1.845) 31.893 7.463 ( 6.722 19.395 2.022) 20.626 7.796 ( -9.006 -5.371 1.880) 10.654 9.332 ( 2.372 -3.574 -7.191) 8.374 9.611 ( -2.870 -4.663 -4.529) 7.105 11.812 ( -18.232 -30.127 5.382) 35.624 13.612 ( 0.286 2.915 -5.497) 6.229======================= Grid point 1147 (354/417) =======================q-point: ( 0.62 0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.131 ( 0.667 8.413 0.331) 8.445 2.304 ( 6.235 6.078 2.114) 8.960 2.913 ( -0.174 -1.463 -2.716) 3.090 3.261 ( 6.177 21.015 -2.041) 21.999 3.684 ( 4.453 6.411 0.403) 7.816 5.313 ( 16.929 17.077 1.482) 24.092 7.651 ( 0.522 2.011 2.166) 3.001 7.795 ( -0.302 21.159 2.183) 21.273 9.281 ( -0.255 -5.957 -7.015) 9.207 9.549 ( 1.982 -2.381 -1.108) 3.290 11.148 ( -25.948 -26.207 -0.691) 36.886 13.654 ( 4.964 -2.195 0.720) 5.475======================= Grid point 1148 (355/417) =======================q-point: ( 0.69 0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.212 ( -1.049 8.372 -0.110) 8.438 2.465 ( 5.483 5.333 -4.005) 8.634 2.865 ( -1.332 -1.906 -2.994) 3.791 3.525 ( 2.501 16.643 0.064) 16.830 3.804 ( 0.749 7.678 2.227) 8.030 5.692 ( 11.439 9.250 1.272) 14.766 7.742 ( 6.679 3.172 1.443) 7.534 7.987 ( -5.328 24.273 1.403) 24.891 9.196 ( 0.647 -5.682 -4.762) 7.442 9.597 ( 3.632 -1.870 1.386) 4.314 10.449 ( -26.834 -17.353 -3.907) 32.194 13.737 ( 8.416 -6.411 3.816) 11.247======================= Grid point 1149 (356/417) =======================q-point: ( 0.75 0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.259 ( -2.715 7.522 -0.351) 8.005 2.539 ( -0.082 3.603 -10.957) 11.535 2.852 ( 2.508 0.177 0.139) 2.518 3.673 ( 0.703 6.713 3.252) 7.492 3.876 ( -5.419 13.670 0.792) 14.727 5.907 ( 6.139 3.105 1.026) 6.955 7.911 ( 7.710 2.594 -1.481) 8.269 8.117 ( -6.910 24.243 0.215) 25.209 9.184 ( 4.654 -4.137 -2.164) 6.593 9.517 ( -10.121 -9.513 4.142) 14.494 9.994 ( -10.507 -0.390 -4.448) 11.416 13.831 ( 9.588 -8.904 4.553) 13.854======================= Grid point 1160 (357/417) =======================q-point: ( 0.44 0.44 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.781 ( -0.000 7.145 4.786) 8.600 1.974 ( -0.000 7.402 9.580) 12.106 2.213 ( 0.000 17.641 -4.733) 18.265 2.679 ( -0.000 11.736 9.990) 15.412 3.260 ( 0.000 20.312 -8.621) 22.065 3.977 ( 0.000 23.024 -2.746) 23.188 6.943 ( 0.000 12.960 0.508) 12.970 8.314 ( -0.000 -15.443 5.237) 16.306 9.368 ( 0.000 9.144 -22.049) 23.870 9.695 ( -0.000 -7.091 0.003) 7.091 12.449 ( -0.000 -30.163 15.404) 33.869 13.679 ( 0.000 9.747 -15.059) 17.938======================= Grid point 1161 (358/417) =======================q-point: ( 0.50 0.44 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.884 ( 3.483 5.345 2.254) 6.766 2.070 ( 0.359 6.557 6.837) 9.480 2.476 ( 9.727 19.527 -2.304) 21.937 2.823 ( 2.189 6.378 6.789) 9.569 3.401 ( 2.287 11.418 -10.338) 15.572 4.315 ( 6.061 32.994 0.672) 33.553 7.148 ( 8.042 14.285 0.113) 16.394 8.110 ( -6.091 -14.474 -0.660) 15.718 9.338 ( -3.065 2.945 -10.623) 11.442 9.652 ( 1.285 -5.406 -2.353) 6.034 12.148 ( -3.598 -33.897 14.127) 36.899 13.705 ( -2.893 9.029 -13.201) 16.252======================= Grid point 1162 (359/417) =======================q-point: ( 0.56 0.44 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.021 ( 5.313 5.783 1.154) 7.937 2.168 ( 1.581 6.226 4.587) 7.894 2.861 ( 7.451 13.469 2.466) 15.589 2.923 ( 7.705 7.368 -2.125) 10.871 3.530 ( 3.513 9.960 -5.179) 11.762 4.789 ( 10.923 29.941 0.883) 31.884 7.487 ( 12.103 16.522 0.536) 20.488 7.873 ( -6.491 -6.972 -2.354) 9.812 9.279 ( -1.600 -1.592 -4.554) 5.083 9.587 ( -1.690 -5.038 -2.963) 6.084 11.737 ( -8.744 -35.197 9.704) 37.543 13.675 ( -4.730 5.861 -8.989) 11.727======================= Grid point 1163 (360/417) =======================q-point: ( 0.62 0.44 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.179 ( 4.461 7.549 0.422) 8.779 2.279 ( 3.465 5.275 2.739) 6.880 2.895 ( -0.238 -1.610 -1.082) 1.954 3.309 ( 11.113 19.074 -1.892) 22.156 3.687 ( 4.832 9.426 -0.211) 10.595 5.252 ( 11.945 21.292 0.664) 24.423 7.684 ( -1.833 0.908 -0.143) 2.051 7.941 ( 9.346 19.014 0.844) 21.204 9.215 ( -1.129 -4.729 -3.897) 6.231 9.509 ( -0.917 -2.233 -1.572) 2.881 11.216 ( -14.918 -32.026 3.829) 35.537 13.618 ( -2.809 0.615 -3.646) 4.644======================= Grid point 1164 (361/417) =======================q-point: ( 0.69 0.44 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.309 ( 0.578 8.956 0.589) 8.994 2.410 ( 5.635 4.282 -1.043) 7.154 2.859 ( -1.013 -1.858 -1.803) 2.780 3.583 ( 4.208 8.841 -0.093) 9.791 3.908 ( 5.119 17.439 0.865) 18.196 5.605 ( 9.808 11.167 0.597) 14.875 7.707 ( 2.368 3.581 1.310) 4.488 8.272 ( 2.607 22.567 1.795) 22.788 9.122 ( -1.103 -6.281 -3.498) 7.273 9.528 ( 3.455 1.157 -0.117) 3.645 10.639 ( -19.090 -23.712 -1.240) 30.467 13.582 ( 2.068 -5.119 0.630) 5.557======================= Grid point 1165 (362/417) =======================q-point: ( 0.75 0.44 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.379 ( -2.095 7.592 0.286) 7.881 2.532 ( 3.418 5.614 -5.795) 8.762 2.828 ( 0.024 -1.026 -0.141) 1.036 3.668 ( 1.771 -0.603 2.562) 3.173 4.162 ( -1.448 24.316 -0.203) 24.360 5.816 ( 7.054 2.039 0.703) 7.377 7.823 ( 5.149 4.109 0.770) 6.632 8.478 ( -4.468 21.471 2.132) 22.035 9.062 ( 2.492 -5.482 -2.312) 6.451 9.580 ( -1.678 0.024 2.922) 3.370 10.150 ( -14.197 -9.523 -5.391) 17.925 13.594 ( 6.984 -9.462 2.693) 12.064======================= Grid point 1178 (363/417) =======================q-point: ( 0.50 0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.903 ( 0.000 4.353 1.011) 4.468 2.144 ( -0.000 5.390 4.690) 7.144 2.565 ( 0.000 18.557 -1.862) 18.650 2.875 ( -0.000 2.926 4.065) 5.009 3.468 ( 0.000 11.439 -7.285) 13.562 4.610 ( 0.000 34.606 0.395) 34.609 7.195 ( 0.000 11.892 -1.225) 11.955 8.017 ( 0.000 -11.866 -5.633) 13.135 9.356 ( 0.000 -0.710 -7.467) 7.501 9.592 ( -0.000 -3.068 1.134) 3.271 11.869 ( -0.000 -37.289 13.797) 39.759 13.789 ( 0.000 9.728 -12.052) 15.488======================= Grid point 1179 (364/417) =======================q-point: ( 0.56 0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.985 ( 4.231 4.209 0.493) 5.988 2.215 ( 0.983 4.967 3.327) 6.058 2.841 ( 11.082 17.587 -1.233) 20.824 2.896 ( 0.027 -0.329 1.238) 1.281 3.576 ( 1.504 10.600 -3.510) 11.267 4.974 ( 3.863 30.688 -0.096) 30.931 7.405 ( 11.509 11.388 -1.320) 16.245 7.868 ( -3.043 -6.556 -7.514) 10.426 9.295 ( -2.575 -2.626 -1.907) 4.143 9.572 ( -1.068 -1.087 0.459) 1.592 11.500 ( -3.236 -38.874 11.133) 40.566 13.805 ( -4.664 8.144 -9.815) 13.580======================= Grid point 1180 (365/417) =======================q-point: ( 0.62 0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2052Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.131 ( 7.102 4.701 0.306) 8.522 2.301 ( 1.948 5.000 2.998) 6.147 2.882 ( -0.389 -1.699 -0.323) 1.772 3.250 ( 15.322 16.754 -0.813) 22.719 3.700 ( 3.190 8.194 -1.071) 8.858 5.330 ( 5.610 23.412 -0.239) 24.076 7.709 ( 2.092 3.768 -3.154) 5.341 7.846 ( 14.588 8.455 -3.242) 17.170 9.210 ( -3.391 -3.685 -0.019) 5.008 9.536 ( -2.858 1.514 0.060) 3.234 11.067 ( -6.283 -36.872 7.306) 38.110 13.730 ( -7.991 4.707 -6.657) 11.416======================= Grid point 1181 (366/417) =======================q-point: ( 0.69 0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.313 ( 7.907 5.294 -0.326) 9.521 2.393 ( 1.544 5.167 2.650) 6.008 2.852 ( -0.772 -1.709 -0.499) 1.941 3.587 ( 5.416 8.882 -0.973) 10.449 3.911 ( 12.204 12.936 0.229) 17.786 5.609 ( 4.501 14.199 -0.127) 14.896 7.722 ( 0.533 4.123 -1.747) 4.509 8.285 ( 17.472 14.020 -0.946) 22.421 9.105 ( -3.895 -4.413 0.057) 5.886 9.528 ( -0.694 4.111 -0.238) 4.176 10.616 ( -8.941 -29.704 3.515) 31.219 13.600 ( -7.387 0.081 -3.057) 7.995======================= Grid point 1182 (367/417) =======================q-point: ( 0.75 0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1034Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.457 ( 1.654 2.864 -0.000) 3.307 2.503 ( 4.881 8.454 -0.000) 9.761 2.824 ( -0.648 -1.122 -0.000) 1.295 3.651 ( -0.178 -0.309 -0.000) 0.357 4.311 ( 11.736 20.327 -0.000) 23.472 5.754 ( 2.129 3.687 -0.000) 4.258 7.806 ( 3.182 5.511 -0.000) 6.364 8.637 ( 7.117 12.327 -0.000) 14.234 9.003 ( -2.476 -4.288 -0.000) 4.951 9.599 ( 2.977 5.157 -0.000) 5.954 10.223 ( -9.468 -16.399 -0.000) 18.936 13.480 ( -2.738 -4.742 -0.000) 5.476======================= Grid point 1196 (368/417) =======================q-point: ( 0.56 0.56 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.984 ( 0.000 3.527 0.221) 3.534 2.259 ( -0.000 4.076 2.917) 5.012 2.890 ( -0.000 -1.367 0.649) 1.513 2.899 ( 0.000 15.526 -0.781) 15.546 3.658 ( 0.000 9.503 -1.885) 9.688 5.232 ( 0.000 26.942 -1.025) 26.962 7.381 ( 0.000 7.652 -1.664) 7.831 7.816 ( 0.000 -2.759 -9.417) 9.813 9.285 ( -0.000 -3.434 1.356) 3.692 9.598 ( -0.000 2.702 1.248) 2.976 11.161 ( -0.000 -40.672 9.668) 41.805 13.903 ( 0.000 8.400 -9.000) 12.311======================= Grid point 1197 (369/417) =======================q-point: ( 0.62 0.56 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.062 ( 4.893 3.348 0.272) 5.935 2.324 ( 1.656 4.027 4.078) 5.966 2.872 ( -0.406 -1.564 0.341) 1.652 3.151 ( 11.935 13.708 -0.328) 18.179 3.740 ( 0.586 6.730 -1.347) 6.888 5.488 ( 2.180 21.079 -1.302) 21.232 7.577 ( 14.674 6.902 -1.117) 16.254 7.772 ( -1.084 1.987 -7.419) 7.757 9.239 ( -2.670 -2.635 2.853) 4.712 9.618 ( -2.344 4.450 0.492) 5.054 10.772 ( -1.471 -39.260 7.141) 39.931 13.899 ( -6.331 6.844 -7.451) 11.935======================= Grid point 1198 (370/417) =======================q-point: ( 0.69 0.56 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.211 ( 8.028 3.204 0.114) 8.644 2.418 ( 2.514 4.324 5.588) 7.499 2.850 ( -0.693 -1.179 0.159) 1.376 3.529 ( 13.913 11.346 -0.776) 17.969 3.820 ( 5.417 4.489 -1.096) 7.120 5.703 ( 1.999 14.533 -0.960) 14.701 7.765 ( -0.998 6.097 -3.181) 6.949 8.002 ( 24.248 7.061 -1.807) 25.320 9.160 ( -4.916 -1.626 2.755) 5.865 9.607 ( -3.363 3.567 -0.850) 4.976 10.404 ( -1.406 -32.181 5.418) 32.664 13.781 ( -11.006 4.278 -5.301) 12.944======================= Grid point 1214 (371/417) =======================q-point: ( 0.62 0.62 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.049 ( 0.000 2.698 0.465) 2.738 2.362 ( -0.000 3.639 6.631) 7.563 2.865 ( -0.000 -1.191 0.831) 1.453 3.162 ( 0.000 11.015 -0.241) 11.018 3.791 ( 0.000 4.700 -1.829) 5.044 5.653 ( 0.000 16.515 -1.756) 16.608 7.488 ( 0.000 4.091 -0.111) 4.093 7.806 ( 0.000 6.520 -4.943) 8.182 9.257 ( -0.000 -0.906 3.584) 3.697 9.691 ( 0.000 5.441 -0.185) 5.444 10.408 ( -0.000 -38.858 4.791) 39.152 14.003 ( 0.000 6.683 -7.143) 9.782======================= Grid point 1216 (372/417) =======================q-point: (-0.31 -0.38 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.121 ( 5.149 2.249 0.566) 5.647 2.439 ( 1.807 3.098 9.619) 10.265 2.855 ( -0.553 0.046 0.362) 0.662 3.375 ( 12.743 8.795 -0.112) 15.484 3.813 ( -0.263 1.914 -2.759) 3.369 5.803 ( 1.332 11.855 -1.341) 12.005 7.677 ( 16.866 3.761 0.217) 17.282 7.864 ( -1.793 9.864 -0.773) 10.055 9.239 ( -3.186 0.849 2.957) 4.429 9.693 ( -4.679 0.366 -1.902) 5.064 10.084 ( 3.526 -30.193 3.402) 30.588 13.978 ( -7.285 5.340 -6.202) 10.957======================= Grid point 1233 (373/417) =======================q-point: (-0.31 -0.31 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.096 ( -0.000 1.594 0.900) 1.830 2.483 ( -0.000 1.201 13.429) 13.483 2.873 ( 0.000 2.495 0.375) 2.523 3.329 ( 0.000 5.768 0.026) 5.768 3.819 ( 0.000 0.214 -4.171) 4.176 5.889 ( 0.000 8.571 -0.872) 8.615 7.560 ( -0.000 2.814 2.127) 3.527 8.003 ( -0.000 13.134 3.656) 13.633 9.295 ( -0.000 3.064 1.803) 3.555 9.712 ( -0.000 -31.628 -0.488) 31.632 9.777 ( 0.000 3.271 -2.074) 3.873 14.073 ( 0.000 4.542 -6.371) 7.824======================= Grid point 1389 (374/417) =======================q-point: ( 0.31 0.31 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 408Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.991 ( -0.000 0.000 16.962) 16.962 0.991 ( -0.000 0.000 16.962) 16.962 1.848 ( 0.000 -0.000 -6.766) 6.766 1.848 ( 0.000 -0.000 -6.766) 6.766 2.101 ( -0.000 0.000 38.521) 38.521 4.363 ( 0.000 -0.000 -20.456) 20.456 6.486 ( -0.000 0.000 3.056) 3.056 6.486 ( -0.000 0.000 3.056) 3.056 10.025 ( 0.000 -0.000 -1.697) 1.697 10.025 ( 0.000 -0.000 -1.697) 1.697 13.190 ( -0.000 0.000 1.490) 1.490 13.437 ( 0.000 -0.000 -0.888) 0.888======================= Grid point 1390 (375/417) =======================q-point: ( 0.38 0.31 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.147 ( 9.951 5.745 15.281) 19.119 1.385 ( 19.766 11.412 15.199) 27.422 1.855 ( 2.732 1.577 -6.919) 7.604 1.984 ( 14.664 8.466 -8.175) 18.803 2.286 ( 6.857 3.959 32.525) 33.475 4.044 ( -13.035 -7.526 -14.076) 20.608 6.544 ( 4.182 2.415 2.755) 5.560 7.382 ( 57.690 33.307 -11.051) 67.525 9.697 ( -24.817 -14.328 -2.407) 28.757 9.984 ( -3.242 -1.872 -1.735) 4.126 13.159 ( -4.211 -2.431 4.082) 6.349 13.479 ( 3.679 2.124 -6.418) 7.696======================= Grid point 1391 (376/417) =======================q-point: ( 0.44 0.31 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.475 ( 13.018 7.516 12.185) 19.351 1.733 ( 6.968 4.023 15.058) 17.073 1.941 ( 7.273 4.199 -6.958) 10.906 2.409 ( 17.359 10.022 4.293) 20.499 2.716 ( 26.265 15.164 8.478) 31.491 3.813 ( -3.162 -1.826 -11.316) 11.890 6.692 ( 7.826 4.518 2.316) 9.328 8.443 ( 24.629 14.219 0.295) 28.440 9.105 ( -13.777 -7.954 -15.131) 21.955 9.874 ( -5.536 -3.196 -1.756) 6.629 13.021 ( -10.197 -5.887 10.386) 15.701 13.500 ( 0.969 0.560 -14.707) 14.749======================= Grid point 1392 (377/417) =======================q-point: ( 0.50 0.31 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.747 ( 7.469 4.312 6.401) 10.740 1.899 ( 4.911 2.836 12.367) 13.606 2.179 ( 14.822 8.557 -3.505) 17.470 2.762 ( 11.656 6.730 8.832) 16.098 3.283 ( 16.281 9.400 -12.141) 22.380 3.936 ( 19.645 11.342 -0.294) 22.686 6.909 ( 10.204 5.891 1.880) 11.932 8.224 ( -22.643 -13.073 7.155) 27.107 9.308 ( 15.867 9.161 -17.509) 25.342 9.737 ( -5.527 -3.191 -1.676) 6.599 12.703 ( -21.162 -12.218 8.107) 25.745 13.490 ( 3.204 1.850 -11.000) 11.606======================= Grid point 1393 (378/417) =======================q-point: ( 0.56 0.31 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.889 ( 4.554 2.629 1.910) 5.595 2.064 ( 6.732 3.887 8.179) 11.284 2.544 ( 16.292 9.406 -0.598) 18.822 2.960 ( 3.528 2.037 1.363) 4.296 3.474 ( 8.254 4.765 -9.122) 13.193 4.572 ( 29.657 17.123 2.873) 34.365 7.153 ( 10.105 5.834 1.330) 11.744 7.821 ( -12.925 -7.462 5.119) 15.778 9.452 ( 1.783 1.029 -11.955) 12.131 9.632 ( -2.773 -1.601 -1.284) 3.450 12.100 ( -31.713 -18.309 0.250) 36.620 13.592 ( 6.771 3.909 -0.943) 7.875======================= Grid point 1394 (379/417) =======================q-point: ( 0.62 0.31 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.984 ( 3.514 2.029 0.226) 4.064 2.252 ( 7.792 4.499 2.688) 9.391 2.891 ( 13.668 7.891 0.004) 15.782 2.961 ( -1.698 -0.980 -5.351) 5.699 3.644 ( 7.081 4.088 -0.751) 8.211 5.198 ( 23.114 13.345 2.369) 26.795 7.361 ( 7.397 4.271 0.385) 8.551 7.677 ( -1.083 -0.625 4.303) 4.481 9.385 ( -3.311 -1.912 -8.432) 9.258 9.614 ( 1.511 0.872 -0.358) 1.781 11.297 ( -36.623 -21.145 -3.701) 42.451 13.765 ( 7.259 4.191 4.611) 9.567======================= Grid point 1395 (380/417) =======================q-point: ( 0.69 0.31 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.053 ( 2.528 1.459 -0.528) 2.966 2.420 ( 6.546 3.780 -5.180) 9.164 2.890 ( -2.265 -1.308 -4.461) 5.171 3.160 ( 9.618 5.553 0.036) 11.106 3.769 ( 3.390 1.957 2.684) 4.746 5.635 ( 14.533 8.391 1.810) 16.879 7.492 ( 4.216 2.434 -0.910) 4.952 7.774 ( 7.818 4.514 1.723) 9.190 9.297 ( -1.716 -0.991 -4.879) 5.266 9.686 ( 4.093 2.363 0.934) 4.817 10.447 ( -35.155 -20.297 -3.413) 40.737 13.937 ( 5.977 3.451 6.395) 9.409======================= Grid point 1406 (381/417) =======================q-point: ( 0.38 0.38 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.255 ( -0.000 13.087 12.993) 18.441 1.392 ( -0.000 23.761 15.343) 28.284 1.838 ( 0.000 3.463 -7.800) 8.535 1.948 ( 0.000 15.632 -7.928) 17.528 2.384 ( -0.000 5.815 31.614) 32.144 3.998 ( 0.000 -13.976 -15.106) 20.579 6.555 ( -0.000 5.093 2.480) 5.664 7.339 ( 0.000 63.162 -8.301) 63.705 9.738 ( -0.000 -23.582 -4.121) 23.939 9.965 ( 0.000 -4.486 -1.231) 4.652 13.162 ( -0.000 -5.897 4.303) 7.300 13.451 ( 0.000 2.511 -5.444) 5.995======================= Grid point 1407 (382/417) =======================q-point: ( 0.44 0.38 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.479 ( 5.277 15.119 11.986) 20.003 1.724 ( 6.244 10.434 13.273) 18.001 1.889 ( 3.566 7.007 -7.943) 11.176 2.258 ( 14.398 21.791 -3.632) 26.369 2.624 ( 8.818 14.098 19.453) 25.592 3.805 ( -3.255 -4.800 -12.882) 14.128 6.663 ( 4.145 7.939 2.082) 9.195 8.172 ( 26.351 39.838 -4.513) 47.977 9.280 ( -19.197 -20.162 -9.358) 29.370 9.896 ( -2.084 -5.396 -1.547) 5.988 13.070 ( -3.219 -11.747 9.485) 15.437 13.465 ( 0.437 2.952 -11.991) 12.357======================= Grid point 1408 (383/417) =======================q-point: ( 0.50 0.38 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.736 ( 4.733 9.238 7.675) 12.910 1.903 ( 3.353 4.801 10.558) 12.073 2.086 ( 9.460 15.290 -4.740) 18.594 2.666 ( 11.755 10.407 8.578) 17.891 3.084 ( 16.623 17.448 -5.331) 24.682 3.804 ( 8.042 9.766 -5.055) 13.624 6.863 ( 6.855 11.324 1.849) 13.365 8.448 ( -15.648 -17.381 9.628) 25.292 9.090 ( 12.960 15.532 -18.856) 27.655 9.785 ( -4.159 -4.256 -2.151) 6.327 12.844 ( -10.458 -19.028 9.953) 23.885 13.456 ( 0.192 4.767 -12.662) 13.531======================= Grid point 1409 (384/417) =======================q-point: ( 0.56 0.38 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.883 ( 2.624 6.271 2.418) 7.215 2.041 ( 4.246 4.699 8.111) 10.291 2.447 ( 11.823 18.799 -0.591) 22.216 2.914 ( 5.662 3.271 4.232) 7.789 3.357 ( 8.303 7.655 -10.467) 15.398 4.297 ( 25.128 22.470 2.011) 33.769 7.121 ( 7.074 14.312 1.743) 16.059 7.997 ( -16.012 -12.661 5.297) 21.089 9.335 ( 7.515 1.767 -9.910) 12.562 9.669 ( -4.043 -2.668 -2.601) 5.498 12.365 ( -22.382 -23.652 1.964) 32.623 13.521 ( 4.759 4.587 -3.374) 7.421======================= Grid point 1410 (385/417) =======================q-point: ( 0.62 0.38 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.985 ( 1.637 6.086 0.529) 6.324 2.198 ( 5.655 5.236 4.313) 8.832 2.817 ( 9.424 16.320 0.817) 18.863 2.963 ( 0.039 1.021 -4.307) 4.427 3.556 ( 8.223 6.596 -1.949) 10.720 4.954 ( 24.047 18.931 1.962) 30.667 7.378 ( 4.016 15.833 1.430) 16.396 7.734 ( -6.334 -4.522 5.464) 9.510 9.355 ( 0.542 -3.600 -7.505) 8.341 9.593 ( -0.434 -1.989 -1.518) 2.539 11.651 ( -31.207 -24.371 -3.735) 39.772 13.668 ( 7.987 1.683 3.514) 8.886======================= Grid point 1411 (386/417) =======================q-point: ( 0.69 0.38 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.065 ( 0.596 5.965 -0.222) 5.999 2.351 ( 5.215 4.878 -1.729) 7.347 2.892 ( -1.517 -1.842 -3.598) 4.317 3.151 ( 5.685 17.205 -0.344) 18.124 3.726 ( 5.156 3.659 1.535) 6.506 5.474 ( 16.960 12.642 1.769) 21.227 7.569 ( -0.879 16.290 0.606) 16.325 7.713 ( 3.230 1.115 4.719) 5.827 9.279 ( -1.105 -4.066 -5.434) 6.876 9.620 ( 4.501 -0.234 0.008) 4.507 10.832 ( -34.048 -21.640 -5.143) 40.670 13.834 ( 8.931 -1.374 6.083) 10.893======================= Grid point 1424 (387/417) =======================q-point: ( 0.44 0.44 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.611 ( -0.000 13.046 10.051) 16.468 1.832 ( -0.000 10.947 10.642) 15.267 1.903 ( 0.000 9.800 -9.104) 13.376 2.379 ( 0.000 24.995 1.337) 25.030 2.768 ( -0.000 19.324 12.849) 23.206 3.755 ( 0.000 -0.656 -11.630) 11.649 6.716 ( 0.000 9.714 1.329) 9.804 8.348 ( 0.000 31.644 3.531) 31.840 9.210 ( 0.000 -15.978 -18.064) 24.117 9.841 ( -0.000 -7.092 -0.411) 7.104 12.982 ( -0.000 -17.912 11.857) 21.481 13.468 ( 0.000 5.792 -12.569) 13.839======================= Grid point 1425 (388/417) =======================q-point: ( 0.50 0.44 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.776 ( 3.255 7.231 5.797) 9.823 1.956 ( 0.822 7.246 7.151) 10.213 2.084 ( 8.092 17.618 -5.135) 20.056 2.660 ( 5.784 14.243 9.009) 17.818 3.061 ( 6.630 20.000 -3.770) 21.405 3.801 ( 3.928 14.441 -5.211) 15.847 6.878 ( 5.668 12.357 0.893) 13.624 8.474 ( -5.077 -16.480 9.226) 19.557 9.087 ( 0.533 15.790 -19.762) 25.301 9.766 ( -0.652 -6.433 -1.098) 6.558 12.781 ( -4.037 -24.490 12.490) 27.786 13.487 ( -0.927 7.754 -13.040) 15.199======================= Grid point 1426 (389/417) =======================q-point: ( 0.56 0.44 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.908 ( 3.388 6.082 1.918) 7.221 2.060 ( 1.947 5.706 5.098) 7.895 2.455 ( 11.731 21.547 -0.948) 24.552 2.874 ( 4.565 4.337 5.955) 8.667 3.293 ( 6.093 11.338 -8.856) 15.624 4.196 ( 15.710 28.037 0.609) 32.144 7.153 ( 8.711 16.289 0.996) 18.499 8.114 ( -12.476 -17.027 2.115) 21.214 9.234 ( 3.983 5.836 -7.160) 10.059 9.681 ( -2.260 -4.848 -2.245) 5.801 12.411 ( -12.098 -29.052 7.049) 32.250 13.518 ( 0.143 6.971 -7.566) 10.289======================= Grid point 1427 (390/417) =======================q-point: ( 0.62 0.44 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.029 ( 2.258 7.436 0.475) 7.786 2.180 ( 4.038 5.336 3.290) 7.457 2.856 ( 7.736 17.764 2.497) 19.536 2.947 ( 3.166 3.539 -3.679) 6.007 3.496 ( 7.104 9.724 -2.092) 12.223 4.788 ( 19.857 24.731 0.980) 31.731 7.479 ( 6.971 19.337 1.332) 20.598 7.819 ( -7.648 -6.879 2.796) 10.660 9.275 ( 1.709 -2.496 -4.283) 5.244 9.581 ( -2.410 -4.497 -1.926) 5.454 11.837 ( -21.551 -29.098 -0.113) 36.210 13.584 ( 3.558 2.287 -0.253) 4.237======================= Grid point 1428 (391/417) =======================q-point: ( 0.69 0.44 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.132 ( 0.499 8.430 -0.055) 8.445 2.315 ( 4.652 4.925 -0.026) 6.775 2.890 ( -1.283 -1.717 -1.845) 2.828 3.249 ( 6.744 21.372 -0.551) 22.417 3.691 ( 5.338 7.220 0.894) 9.023 5.324 ( 17.144 16.769 0.920) 23.999 7.677 ( 1.121 2.091 3.258) 4.031 7.818 ( -0.431 20.040 2.661) 20.220 9.229 ( -0.647 -5.300 -3.849) 6.582 9.540 ( 2.776 -2.012 -0.698) 3.499 11.124 ( -27.810 -25.253 -4.374) 37.818 13.678 ( 6.987 -3.253 4.081) 8.721======================= Grid point 1442 (392/417) =======================q-point: ( 0.50 0.50 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.817 ( -0.000 4.861 2.673) 5.548 2.040 ( -0.000 6.412 4.029) 7.573 2.171 ( 0.000 19.618 -3.691) 19.963 2.778 ( -0.000 10.574 10.315) 14.772 3.176 ( 0.000 15.982 -8.299) 18.008 3.955 ( 0.000 26.951 -1.786) 27.010 6.944 ( 0.000 12.362 -0.262) 12.365 8.353 ( -0.000 -21.547 2.287) 21.668 9.195 ( 0.000 15.224 -13.338) 20.240 9.698 ( -0.000 -6.744 0.658) 6.776 12.589 ( -0.000 -29.676 13.428) 32.573 13.546 ( 0.000 9.951 -12.442) 15.932======================= Grid point 1443 (393/417) =======================q-point: ( 0.56 0.50 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.899 ( 3.484 4.530 0.823) 5.774 2.111 ( 0.492 5.876 1.602) 6.110 2.457 ( 10.301 20.183 -1.610) 22.717 2.889 ( 0.989 3.200 6.429) 7.250 3.317 ( 2.722 13.371 -6.501) 15.114 4.318 ( 6.377 33.471 -0.141) 34.074 7.145 ( 8.519 13.747 -0.645) 16.186 8.091 ( -5.527 -17.890 -3.340) 19.020 9.266 ( -1.384 6.257 -3.888) 7.495 9.643 ( -0.157 -5.216 0.076) 5.218 12.269 ( -5.021 -33.927 10.829) 35.965 13.593 ( -1.882 9.580 -9.843) 13.864======================= Grid point 1444 (394/417) =======================q-point: ( 0.62 0.50 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.029 ( 5.282 5.539 0.380) 7.663 2.193 ( 1.822 5.962 0.611) 6.264 2.876 ( 14.070 20.351 -0.778) 24.753 2.916 ( -0.221 -1.003 1.859) 2.124 3.495 ( 4.626 11.650 -1.873) 12.674 4.793 ( 11.164 29.708 -0.050) 31.737 7.488 ( 12.795 16.060 -0.436) 20.538 7.847 ( -4.445 -8.829 -2.897) 10.301 9.255 ( -2.008 -0.412 -0.283) 2.070 9.573 ( -2.334 -4.440 -0.204) 5.020 11.810 ( -11.461 -34.728 5.427) 36.971 13.607 ( -2.398 5.689 -4.956) 7.917======================= Grid point 1445 (395/417) =======================q-point: ( 0.69 0.50 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1032Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.181 ( 4.339 7.516 -0.000) 8.679 2.293 ( 3.001 5.198 -0.000) 6.002 2.890 ( -1.078 -1.868 -0.000) 2.157 3.300 ( 11.087 19.204 -0.000) 22.175 3.687 ( 5.688 9.852 -0.000) 11.376 5.255 ( 12.173 21.084 -0.000) 24.346 7.684 ( -0.174 -0.301 -0.000) 0.347 7.945 ( 10.669 18.479 -0.000) 21.337 9.196 ( -2.316 -4.011 -0.000) 4.631 9.501 ( -1.029 -1.782 -0.000) 2.058 11.235 ( -17.809 -30.845 -0.000) 35.617 13.600 ( -0.244 -0.423 -0.000) 0.488======================= Grid point 1460 (396/417) =======================q-point: ( 0.56 0.56 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.909 ( 0.000 4.044 0.022) 4.044 2.163 ( 0.000 5.458 -0.792) 5.516 2.550 ( 0.000 19.037 -1.213) 19.075 2.918 ( -0.000 0.066 4.692) 4.692 3.416 ( 0.000 13.683 -3.212) 14.055 4.608 ( 0.000 34.453 -0.744) 34.461 7.182 ( 0.000 11.502 -1.489) 11.599 7.953 ( 0.000 -14.292 -7.439) 16.112 9.323 ( 0.000 1.818 0.442) 1.871 9.604 ( -0.000 -2.893 1.401) 3.214 11.988 ( -0.000 -37.967 10.838) 39.483 13.684 ( 0.000 10.418 -9.528) 14.118======================= Grid point 1461 (397/417) =======================q-point: ( 0.62 0.56 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.987 ( 4.336 4.166 0.001) 6.013 2.225 ( 1.238 5.900 -1.087) 6.125 2.828 ( 10.364 16.847 -1.300) 19.822 2.922 ( 0.322 -0.728 3.936) 4.016 3.553 ( 1.729 11.550 -1.150) 11.735 4.969 ( 4.087 30.404 -1.094) 30.697 7.392 ( 11.771 11.242 -1.484) 16.345 7.796 ( -1.801 -7.626 -7.300) 10.709 9.302 ( -2.775 -1.513 3.327) 4.589 9.580 ( -1.581 -0.930 1.142) 2.160 11.593 ( -4.260 -39.518 8.075) 40.558 13.721 ( -3.768 8.539 -7.377) 11.896======================= Grid point 1479 (398/417) =======================q-point: (-0.38 -0.38 -0.69)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.985 ( 0.000 3.679 -0.003) 3.679 2.269 ( 0.000 6.215 -0.595) 6.243 2.893 ( 0.000 15.722 -0.426) 15.728 2.914 ( -0.000 -2.358 4.069) 4.703 3.645 ( 0.000 9.615 -0.818) 9.650 5.218 ( 0.000 26.680 -1.838) 26.743 7.368 ( 0.000 7.962 -1.102) 8.038 7.734 ( 0.000 -2.305 -7.434) 7.783 9.318 ( -0.000 -3.042 5.346) 6.151 9.608 ( -0.000 2.325 0.862) 2.480 11.243 ( -0.000 -41.931 7.237) 42.551 13.824 ( 0.000 8.880 -7.434) 11.581======================= Grid point 1672 (399/417) =======================q-point: ( 0.38 0.38 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 417Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.141 ( -0.000 0.000 14.077) 14.077 1.141 ( -0.000 0.000 14.077) 14.077 1.781 ( 0.000 -0.000 -7.183) 7.183 1.781 ( 0.000 -0.000 -7.183) 7.183 2.446 ( -0.000 0.000 32.955) 32.955 4.162 ( 0.000 -0.000 -20.892) 20.892 6.513 ( -0.000 0.000 2.359) 2.359 6.513 ( -0.000 0.000 2.359) 2.359 10.010 ( 0.000 -0.000 -1.317) 1.317 10.010 ( 0.000 -0.000 -1.317) 1.317 13.204 ( -0.000 0.000 1.222) 1.222 13.429 ( 0.000 -0.000 -0.762) 0.762======================= Grid point 1673 (400/417) =======================q-point: ( 0.44 0.38 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.285 ( 9.383 5.417 13.315) 17.166 1.522 ( 20.489 11.830 13.458) 27.219 1.786 ( 2.606 1.504 -7.210) 7.813 1.899 ( 14.157 8.174 -9.655) 18.986 2.576 ( 3.390 1.957 27.175) 27.456 3.898 ( -10.988 -6.344 -15.621) 20.125 6.567 ( 4.119 2.378 1.976) 5.150 7.303 ( 54.162 31.270 -5.711) 62.801 9.680 ( -25.655 -14.812 -1.168) 29.647 9.969 ( -3.314 -1.914 -1.388) 4.071 13.196 ( -1.668 -0.963 3.436) 3.939 13.425 ( -0.330 -0.191 -4.765) 4.780======================= Grid point 1674 (401/417) =======================q-point: ( 0.50 0.38 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.591 ( 11.605 6.700 12.064) 18.031 1.853 ( 6.689 3.862 9.773) 12.457 1.870 ( 7.857 4.536 -7.839) 11.990 2.416 ( 25.684 14.829 -1.715) 29.707 2.820 ( 13.581 7.841 11.335) 19.350 3.707 ( -0.555 -0.320 -10.096) 10.116 6.711 ( 7.779 4.491 1.649) 9.133 8.443 ( 38.296 22.110 -0.695) 44.226 9.001 ( -27.007 -15.592 -6.328) 31.820 9.859 ( -5.594 -3.230 -1.482) 6.628 13.117 ( -9.269 -5.351 9.539) 14.337 13.369 ( -0.253 -0.146 -12.598) 12.601======================= Grid point 1675 (402/417) =======================q-point: ( 0.56 0.38 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.800 ( 4.920 2.841 4.465) 7.226 1.998 ( 4.441 2.564 8.077) 9.567 2.152 ( 16.710 9.648 -1.870) 19.386 2.838 ( 10.559 6.096 6.387) 13.764 3.172 ( 12.684 7.323 -10.017) 17.744 3.936 ( 23.284 13.443 0.338) 26.888 6.926 ( 10.154 5.862 1.557) 11.828 8.295 ( -24.285 -14.021 7.165) 28.943 9.173 ( 18.116 10.459 -10.247) 23.293 9.721 ( -5.509 -3.180 -1.565) 6.550 12.743 ( -23.847 -13.768 -0.258) 27.537 13.424 ( 6.581 3.799 -2.169) 7.902======================= Grid point 1676 (403/417) =======================q-point: ( 0.62 0.38 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.904 ( 3.772 2.178 1.029) 4.475 2.132 ( 5.356 3.092 5.526) 8.293 2.542 ( 16.567 9.565 0.323) 19.133 2.955 ( 0.353 0.204 -2.463) 2.496 3.414 ( 11.425 6.597 -3.049) 13.541 4.595 ( 29.696 17.145 1.873) 34.341 7.167 ( 9.896 5.713 1.524) 11.528 7.881 ( -13.191 -7.616 7.140) 16.821 9.360 ( 2.311 1.334 -7.012) 7.503 9.618 ( -2.548 -1.471 -1.451) 3.281 12.071 ( -32.823 -18.950 -6.122) 38.391 13.612 ( 8.586 4.957 5.073) 11.137======================= Grid point 1690 (404/417) =======================q-point: ( 0.44 0.44 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.367 ( -0.000 12.354 9.843) 15.796 1.533 ( -0.000 24.334 14.039) 28.093 1.763 ( 0.000 2.795 -7.524) 8.026 1.866 ( 0.000 15.089 -9.028) 17.583 2.656 ( -0.000 2.708 24.191) 24.343 3.850 ( 0.000 -11.795 -14.842) 18.958 6.574 ( -0.000 4.933 1.547) 5.170 7.282 ( 0.000 60.566 -3.893) 60.691 9.705 ( -0.000 -26.573 -2.885) 26.729 9.956 ( -0.000 -4.325 -0.617) 4.369 13.200 ( -0.000 -2.306 3.470) 4.166 13.407 ( 0.000 -1.668 -3.769) 4.121======================= Grid point 1691 (405/417) =======================q-point: ( 0.50 0.44 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.589 ( 5.920 14.294 10.767) 18.849 1.805 ( 3.764 5.919 -6.939) 9.867 1.835 ( 5.166 8.781 6.749) 12.220 2.215 ( 17.151 27.895 -4.357) 33.035 2.796 ( 4.275 6.916 14.579) 16.693 3.689 ( -2.054 -3.057 -10.381) 11.015 6.679 ( 4.248 7.772 1.132) 8.929 8.141 ( 28.037 45.670 -2.119) 53.631 9.212 ( -19.777 -27.480 -4.679) 34.178 9.885 ( -2.509 -5.350 -0.818) 5.966 13.162 ( -2.133 -8.835 9.646) 13.254 13.356 ( -1.673 0.210 -10.803) 10.934======================= Grid point 1692 (406/417) =======================q-point: ( 0.56 0.44 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.798 ( 2.809 5.835 4.623) 7.957 1.978 ( 4.259 4.621 4.762) 7.885 2.049 ( 11.245 17.310 -2.398) 20.781 2.730 ( 13.586 13.253 3.860) 19.368 3.039 ( 9.663 10.762 -3.297) 14.835 3.768 ( 11.706 13.088 -2.063) 17.680 6.877 ( 7.033 11.257 1.053) 13.316 8.535 ( -19.947 -22.424 7.174) 30.857 8.946 ( 18.761 20.481 -9.682) 29.414 9.769 ( -4.415 -4.575 -1.204) 6.471 12.909 ( -14.070 -18.973 2.463) 23.749 13.371 ( 3.467 5.412 -4.157) 7.654======================= Grid point 1693 (407/417) =======================q-point: ( 0.62 0.44 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.899 ( 2.079 5.462 0.851) 5.906 2.100 ( 4.297 3.733 3.872) 6.884 2.446 ( 12.263 19.249 0.560) 22.830 2.931 ( 2.458 1.302 -1.427) 3.126 3.293 ( 10.418 9.602 -2.144) 14.330 4.312 ( 25.636 22.470 1.056) 34.106 7.136 ( 7.198 14.323 1.295) 16.082 8.049 ( -15.099 -13.695 5.241) 21.047 9.267 ( 7.427 2.812 -3.859) 8.830 9.650 ( -4.007 -3.061 -1.404) 5.234 12.349 ( -25.244 -22.729 -5.294) 34.379 13.524 ( 7.817 4.229 4.062) 9.772======================= Grid point 1708 (408/417) =======================q-point: ( 0.50 0.50 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1098Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.704 ( -0.000 11.823 9.411) 15.112 1.809 ( 0.000 10.385 -10.383) 14.685 1.907 ( -0.000 8.641 4.638) 9.807 2.383 ( 0.000 32.434 0.398) 32.436 2.877 ( -0.000 9.347 8.100) 12.368 3.660 ( 0.000 1.997 -7.055) 7.332 6.724 ( 0.000 9.350 0.332) 9.356 8.387 ( 0.000 42.868 4.322) 43.085 9.065 ( 0.000 -28.282 -11.989) 30.718 9.841 ( -0.000 -6.840 0.302) 6.847 13.094 ( -0.000 -15.976 11.357) 19.601 13.356 ( 0.000 4.167 -10.696) 11.478======================= Grid point 1709 (409/417) =======================q-point: ( 0.56 0.50 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 2048Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.814 ( 2.578 4.296 1.473) 5.222 1.995 ( 1.668 7.390 1.018) 7.644 2.047 ( 9.116 18.884 -2.023) 21.066 2.728 ( 5.953 18.329 4.314) 19.748 3.032 ( 4.024 12.194 -1.733) 12.958 3.767 ( 5.359 17.688 -1.799) 18.569 6.882 ( 5.982 11.987 -0.088) 13.397 8.549 ( -8.321 -26.335 4.726) 28.020 8.941 ( 5.722 25.232 -9.031) 27.403 9.762 ( -1.406 -6.374 0.169) 6.529 12.882 ( -6.139 -23.897 7.610) 25.820 13.387 ( 0.458 7.687 -7.026) 10.424======================= Grid point 1710 (410/417) =======================q-point: ( 0.62 0.50 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1034Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.917 ( 3.244 5.618 -0.000) 6.487 2.085 ( 2.773 4.803 -0.000) 5.547 2.451 ( 12.523 21.691 -0.000) 25.046 2.907 ( 1.929 3.341 -0.000) 3.857 3.246 ( 7.117 12.327 0.000) 14.234 4.199 ( 16.271 28.182 -0.000) 32.542 7.158 ( 9.233 15.992 -0.000) 18.467 8.125 ( -10.965 -18.992 -0.000) 21.930 9.198 ( 4.194 7.265 -0.000) 8.389 9.670 ( -2.798 -4.846 -0.000) 5.596 12.446 ( -15.889 -27.521 -0.000) 31.778 13.480 ( 3.441 5.960 -0.000) 6.882======================= Grid point 1726 (411/417) =======================q-point: ( 0.56 0.56 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.827 ( 0.000 3.985 -0.890) 4.083 2.049 ( 0.000 5.564 -2.264) 6.007 2.147 ( 0.000 20.559 -1.049) 20.585 2.856 ( -0.000 10.944 4.039) 11.665 3.122 ( 0.000 13.815 -1.068) 13.856 3.942 ( 0.000 28.336 -0.955) 28.352 6.938 ( 0.000 11.928 -0.989) 11.969 8.348 ( -0.000 -27.082 -3.331) 27.286 9.125 ( 0.000 20.451 -0.927) 20.472 9.707 ( -0.000 -6.487 1.208) 6.598 12.698 ( -0.000 -29.285 8.746) 30.563 13.450 ( 0.000 9.684 -7.012) 11.956======================= Grid point 1958 (412/417) =======================q-point: ( 0.44 0.44 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 408Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.254 ( -0.000 0.000 9.097) 9.097 1.254 ( -0.000 0.000 9.097) 9.097 1.717 ( 0.000 -0.000 -5.622) 5.622 1.717 ( 0.000 -0.000 -5.622) 5.622 2.714 ( -0.000 0.000 21.690) 21.690 3.981 ( 0.000 -0.000 -15.653) 15.653 6.530 ( -0.000 0.000 1.285) 1.285 6.530 ( -0.000 0.000 1.285) 1.285 10.000 ( 0.000 -0.000 -0.720) 0.720 10.000 ( 0.000 -0.000 -0.720) 0.720 13.213 ( -0.000 0.000 0.699) 0.699 13.423 ( 0.000 -0.000 -0.451) 0.451======================= Grid point 1959 (413/417) =======================q-point: ( 0.50 0.44 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1096Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.394 ( 9.865 5.696 8.569) 14.254 1.640 ( 23.268 13.434 10.436) 28.823 1.724 ( 2.033 1.174 -5.100) 5.614 1.803 ( 11.230 6.484 -9.749) 16.223 2.783 ( 1.366 0.789 14.357) 14.443 3.768 ( -9.450 -5.456 -9.738) 14.625 6.581 ( 4.113 2.375 0.878) 4.830 7.267 ( 52.054 30.054 -2.120) 60.145 9.675 ( -25.586 -14.772 0.166) 29.545 9.958 ( -3.436 -1.984 -0.813) 4.049 13.222 ( 0.663 0.383 1.753) 1.913 13.390 ( -3.605 -2.081 -2.472) 4.841======================= Grid point 1960 (414/417) =======================q-point: ( 0.56 0.44 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.704 ( 10.716 6.187 11.402) 16.825 1.791 ( 8.399 4.849 -8.650) 12.995 1.916 ( 6.399 3.694 2.923) 7.946 2.395 ( 29.584 17.081 -2.059) 34.223 2.899 ( 6.782 3.915 3.752) 8.683 3.639 ( 1.998 1.154 -3.037) 3.814 6.723 ( 7.874 4.546 0.717) 9.121 8.425 ( 43.147 24.911 -3.105) 49.918 8.988 ( -31.339 -18.093 3.606) 36.366 9.847 ( -5.731 -3.309 -0.970) 6.688 13.177 ( -14.143 -8.166 -1.618) 16.411 13.286 ( 4.245 2.451 -0.258) 4.909======================= Grid point 1976 (415/417) =======================q-point: ( 0.50 0.50 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1088Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.429 ( 0.000 12.366 1.966) 12.521 1.654 ( -0.000 29.038 9.810) 30.650 1.709 ( 0.000 1.835 -2.582) 3.168 1.781 ( 0.000 10.544 -7.529) 12.956 2.818 ( -0.000 1.150 7.695) 7.780 3.744 ( 0.000 -10.543 -5.373) 11.833 6.584 ( 0.000 4.812 0.364) 4.826 7.260 ( 0.000 59.472 -0.754) 59.477 9.683 ( -0.000 -28.528 -1.550) 28.570 9.954 ( -0.000 -4.142 0.104) 4.143 13.224 ( -0.000 0.845 1.308) 1.558 13.383 ( -0.000 -4.797 -1.064) 4.914======================= Grid point 1977 (416/417) =======================q-point: ( 0.56 0.50 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 1032Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.662 ( 9.404 16.288 -0.000) 18.808 1.744 ( 1.703 2.949 0.000) 3.406 1.876 ( 3.898 6.752 -0.000) 7.797 2.191 ( 18.028 31.226 -0.000) 36.056 2.872 ( 2.548 4.413 -0.000) 5.096 3.633 ( -1.192 -2.065 -0.000) 2.385 6.685 ( 4.411 7.639 -0.000) 8.821 8.131 ( 27.777 48.111 -0.000) 55.553 9.190 ( -18.005 -31.185 -0.000) 36.010 9.881 ( -2.969 -5.142 -0.000) 5.937 13.250 ( -6.633 -11.489 -0.000) 13.267 13.262 ( 1.879 3.254 0.000) 3.757======================= Grid point 2249 (417/417) =======================q-point: (-0.50 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 2.32e-04 Number of triplets: 213Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.301 ( -0.000 0.000 0.000) 0.000 1.301 ( -0.000 0.000 0.000) 0.000 1.687 ( -0.000 0.000 0.000) 0.000 1.687 ( -0.000 0.000 0.000) 0.000 2.826 ( -0.000 0.000 0.000) 0.000 3.898 ( 0.000 -0.000 -0.000) 0.000 6.536 ( -0.000 0.000 0.000) 0.000 6.536 ( -0.000 0.000 0.000) 0.000 9.997 ( -0.000 0.000 0.000) 0.000 9.997 ( -0.000 0.000 0.000) 0.000 13.216 ( -0.000 0.000 0.000) 0.000 13.421 ( -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 3/49152 10.0 675.106 675.106 1452.621 0.000 -0.000 0.000 3/49152 20.0 168.919 168.919 159.499 0.000 -0.000 0.000 3/49152 30.0 80.713 80.713 59.963 0.000 -0.000 0.000 3/49152 40.0 60.439 60.439 37.193 0.000 -0.000 0.000 3/49152 50.0 50.446 50.446 27.544 0.000 -0.000 0.000 3/49152 60.0 42.844 42.844 21.891 0.000 -0.000 0.000 3/49152 70.0 36.548 36.548 18.040 0.000 -0.000 0.000 3/49152 80.0 31.399 31.399 15.240 0.000 -0.000 0.000 3/49152 90.0 27.254 27.254 13.134 0.000 -0.000 0.000 3/49152 100.0 23.929 23.929 11.509 0.000 -0.000 0.000 3/49152 110.0 21.251 21.251 10.229 0.000 -0.000 0.000 3/49152 120.0 19.072 19.072 9.201 0.000 -0.000 0.000 3/49152 130.0 17.280 17.280 8.361 0.000 -0.000 0.000 3/49152 140.0 15.787 15.787 7.663 0.000 -0.000 0.000 3/49152 150.0 14.528 14.528 7.074 0.000 -0.000 0.000 3/49152 160.0 13.456 13.456 6.572 0.000 -0.000 0.000 3/49152 170.0 12.532 12.532 6.138 0.000 -0.000 0.000 3/49152 180.0 11.729 11.729 5.760 0.000 -0.000 0.000 3/49152 190.0 11.024 11.024 5.427 0.000 -0.000 0.000 3/49152 200.0 10.401 10.401 5.132 0.000 -0.000 0.000 3/49152 210.0 9.847 9.847 4.868 0.000 -0.000 0.000 3/49152 220.0 9.350 9.350 4.631 0.000 -0.000 0.000 3/49152 230.0 8.902 8.902 4.417 0.000 -0.000 0.000 3/49152 240.0 8.497 8.497 4.222 0.000 -0.000 0.000 3/49152 250.0 8.127 8.127 4.044 0.000 -0.000 0.000 3/49152 260.0 7.790 7.790 3.881 0.000 -0.000 0.000 3/49152 270.0 7.480 7.480 3.731 0.000 -0.000 0.000 3/49152 280.0 7.195 7.195 3.593 0.000 -0.000 0.000 3/49152 290.0 6.931 6.931 3.464 0.000 -0.000 0.000 3/49152 300.0 6.686 6.686 3.345 0.000 -0.000 0.000 3/49152 310.0 6.458 6.458 3.234 0.000 -0.000 0.000 3/49152 320.0 6.246 6.246 3.130 0.000 -0.000 0.000 3/49152 330.0 6.048 6.048 3.033 0.000 -0.000 0.000 3/49152 340.0 5.862 5.862 2.941 0.000 -0.000 0.000 3/49152 350.0 5.687 5.687 2.855 0.000 -0.000 0.000 3/49152 360.0 5.523 5.523 2.774 0.000 -0.000 0.000 3/49152 370.0 5.368 5.368 2.698 0.000 -0.000 0.000 3/49152 380.0 5.222 5.222 2.626 0.000 -0.000 0.000 3/49152 390.0 5.084 5.084 2.557 0.000 -0.000 0.000 3/49152 400.0 4.953 4.953 2.492 0.000 -0.000 0.000 3/49152 410.0 4.828 4.828 2.431 0.000 -0.000 0.000 3/49152 420.0 4.710 4.710 2.372 0.000 -0.000 0.000 3/49152 430.0 4.598 4.598 2.316 0.000 -0.000 0.000 3/49152 440.0 4.491 4.491 2.263 0.000 -0.000 0.000 3/49152 450.0 4.389 4.389 2.212 0.000 -0.000 0.000 3/49152 460.0 4.291 4.291 2.164 0.000 -0.000 0.000 3/49152 470.0 4.198 4.198 2.117 0.000 -0.000 0.000 3/49152 480.0 4.109 4.109 2.073 0.000 -0.000 0.000 3/49152 490.0 4.024 4.024 2.030 0.000 -0.000 0.000 3/49152 500.0 3.942 3.942 1.989 0.000 -0.000 0.000 3/49152 510.0 3.863 3.863 1.950 0.000 -0.000 0.000 3/49152 520.0 3.788 3.788 1.912 0.000 -0.000 0.000 3/49152 530.0 3.715 3.715 1.876 0.000 -0.000 0.000 3/49152 540.0 3.645 3.645 1.841 0.000 -0.000 0.000 3/49152 550.0 3.578 3.578 1.807 0.000 -0.000 0.000 3/49152 560.0 3.513 3.513 1.775 0.000 -0.000 0.000 3/49152 570.0 3.451 3.451 1.744 0.000 -0.000 0.000 3/49152 580.0 3.391 3.391 1.714 0.000 -0.000 0.000 3/49152 590.0 3.333 3.333 1.684 0.000 -0.000 0.000 3/49152 600.0 3.277 3.277 1.656 0.000 -0.000 0.000 3/49152 610.0 3.222 3.222 1.629 0.000 -0.000 0.000 3/49152 620.0 3.170 3.170 1.603 0.000 -0.000 0.000 3/49152 630.0 3.119 3.119 1.577 0.000 -0.000 0.000 3/49152 640.0 3.070 3.070 1.552 0.000 -0.000 0.000 3/49152 650.0 3.022 3.022 1.528 0.000 -0.000 0.000 3/49152 660.0 2.976 2.976 1.505 0.000 -0.000 0.000 3/49152 670.0 2.931 2.931 1.483 0.000 -0.000 0.000 3/49152 680.0 2.888 2.888 1.461 0.000 -0.000 0.000 3/49152 690.0 2.846 2.846 1.440 0.000 -0.000 0.000 3/49152 700.0 2.805 2.805 1.419 0.000 -0.000 0.000 3/49152 710.0 2.765 2.765 1.399 0.000 -0.000 0.000 3/49152 720.0 2.727 2.727 1.380 0.000 -0.000 0.000 3/49152 730.0 2.689 2.689 1.361 0.000 -0.000 0.000 3/49152 740.0 2.652 2.652 1.342 0.000 -0.000 0.000 3/49152 750.0 2.617 2.617 1.324 0.000 -0.000 0.000 3/49152 760.0 2.582 2.582 1.307 0.000 -0.000 0.000 3/49152 770.0 2.549 2.549 1.290 0.000 -0.000 0.000 3/49152 780.0 2.516 2.516 1.273 0.000 -0.000 0.000 3/49152 790.0 2.484 2.484 1.257 0.000 -0.000 0.000 3/49152 800.0 2.453 2.453 1.242 0.000 -0.000 0.000 3/49152 810.0 2.422 2.422 1.226 0.000 -0.000 0.000 3/49152 820.0 2.393 2.393 1.211 0.000 -0.000 0.000 3/49152 830.0 2.364 2.364 1.197 0.000 -0.000 0.000 3/49152 840.0 2.335 2.335 1.182 0.000 -0.000 0.000 3/49152 850.0 2.308 2.308 1.169 0.000 -0.000 0.000 3/49152 860.0 2.281 2.281 1.155 0.000 -0.000 0.000 3/49152 870.0 2.255 2.255 1.142 0.000 -0.000 0.000 3/49152 880.0 2.229 2.229 1.129 0.000 -0.000 0.000 3/49152 890.0 2.204 2.204 1.116 0.000 -0.000 0.000 3/49152 900.0 2.179 2.179 1.104 0.000 -0.000 0.000 3/49152 910.0 2.155 2.155 1.091 0.000 -0.000 0.000 3/49152 920.0 2.132 2.132 1.080 0.000 -0.000 0.000 3/49152 930.0 2.109 2.109 1.068 0.000 -0.000 0.000 3/49152 940.0 2.086 2.086 1.057 0.000 -0.000 0.000 3/49152 950.0 2.064 2.064 1.046 0.000 -0.000 0.000 3/49152 960.0 2.043 2.043 1.035 0.000 -0.000 0.000 3/49152 970.0 2.022 2.022 1.024 0.000 -0.000 0.000 3/49152 980.0 2.001 2.001 1.014 0.000 -0.000 0.000 3/49152 990.0 1.981 1.981 1.003 0.000 -0.000 0.000 3/49152 1000.0 1.961 1.961 0.993 0.000 -0.000 0.000 3/49152Thermal conductivity related properties were written into "kappa-m161616.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 22:40:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|