# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/da0ba31c-2d63-4758-8723-623089eade0e/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 AgAuCl4 / C2/c (15) / materials id 570340](https://mdr.nims.go.jp/datasets/604b4e0e-dc91-4667-905c-cfe8aadf67ba) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 18:53:34]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [1 4 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: C2/c (15)Number of symmetry operations in supercell: 32------------------------------ primitive cell ------------------------------Lattice vectors: a 6.238771880890880 -2.055613120000000 0.000000000000000 b 6.238771880890880 2.055613120000000 0.000000000000000 c -6.005915560534412 0.000000000000000 11.438577854365553Atomic positions (fractional): *1 Ag 0.50051616369590 0.49948383630410 0.75000000000000 107.868 2 Ag 0.49948383630410 0.50051616369590 0.25000000000000 107.868 *3 Au 0.00000000000000 0.00000000000000 0.00000000000000 196.967 4 Au 0.00000000000000 0.00000000000000 0.50000000000000 196.967 *5 Cl 0.84104239364639 0.92596473754090 0.09407723966881 35.453 6 Cl 0.07403526245910 0.15895760635361 0.40592276033120 35.453 *7 Cl 0.18695990367380 0.54500308879325 0.34985001370246 35.453 8 Cl 0.45499691120675 0.81304009632620 0.15014998629754 35.453 9 Cl 0.81304009632620 0.45499691120675 0.65014998629754 35.453 10 Cl 0.15895760635361 0.07403526245910 0.90592276033120 35.453 11 Cl 0.92596473754090 0.84104239364639 0.59407723966880 35.453 12 Cl 0.54500308879325 0.18695990367380 0.84985001370246 35.453-------------------------------- unit cell ---------------------------------Lattice vectors: a 12.477543761781760 0.000000000000000 0.000000000000000 b 0.000000000000000 4.111226240000000 0.000000000000000 c -6.005915560534412 0.000000000000000 11.438577854365553Atomic positions (fractional): *1 Ag 0.00000000000000 0.49948383630410 0.75000000000000 107.868 > 1 2 Ag 0.00000000000000 0.50051616369590 0.25000000000000 107.868 > 2 3 Ag 0.50000000000000 0.99948383630410 0.75000000000000 107.868 > 1 4 Ag 0.50000000000000 0.00051616369590 0.25000000000000 107.868 > 2 *5 Au 0.00000000000000 0.00000000000000 0.00000000000000 196.967 > 3 6 Au 0.00000000000000 0.00000000000000 0.50000000000000 196.967 > 4 7 Au 0.50000000000000 0.50000000000000 0.00000000000000 196.967 > 3 8 Au 0.50000000000000 0.50000000000000 0.50000000000000 196.967 > 4 *9 Cl 0.88350356559365 0.04246117194725 0.09407723966881 35.453 > 5 10 Cl 0.11649643440635 0.04246117194725 0.40592276033120 35.453 > 6 *11 Cl 0.86598149623353 0.67902159255972 0.34985001370246 35.453 > 7 12 Cl 0.63401850376647 0.17902159255972 0.15014998629754 35.453 > 8 13 Cl 0.13401850376648 0.32097840744028 0.65014998629754 35.453 > 9 14 Cl 0.11649643440635 0.95753882805275 0.90592276033120 35.453 > 10 15 Cl 0.88350356559365 0.95753882805275 0.59407723966880 35.453 > 11 16 Cl 0.36598149623352 0.82097840744028 0.84985001370246 35.453 > 12 17 Cl 0.38350356559365 0.54246117194725 0.09407723966881 35.453 > 5 18 Cl 0.61649643440635 0.54246117194725 0.40592276033120 35.453 > 6 19 Cl 0.36598149623352 0.17902159255972 0.34985001370246 35.453 > 7 20 Cl 0.13401850376648 0.67902159255972 0.15014998629754 35.453 > 8 21 Cl 0.63401850376647 0.82097840744028 0.65014998629754 35.453 > 9 22 Cl 0.61649643440635 0.45753882805275 0.90592276033120 35.453 > 10 23 Cl 0.38350356559365 0.45753882805275 0.59407723966880 35.453 > 11 24 Cl 0.86598149623353 0.32097840744028 0.84985001370246 35.453 > 12-------------------------------- super cell --------------------------------Lattice vectors: a 12.477543761781760 0.000000000000000 0.000000000000000 b 0.000000000000000 16.444904959999999 0.000000000000000 c -6.005915560534412 0.000000000000000 11.438577854365553Atomic positions (fractional): *1 Ag 0.00000000000000 0.12487095907603 0.75000000000000 107.868 > 1 2 Ag 0.00000000000000 0.37487095907603 0.75000000000000 107.868 > 1 3 Ag 0.00000000000000 0.62487095907603 0.75000000000000 107.868 > 1 4 Ag 0.00000000000000 0.87487095907603 0.75000000000000 107.868 > 1 5 Ag 0.00000000000000 0.12512904092397 0.25000000000000 107.868 > 2 6 Ag 0.00000000000000 0.37512904092397 0.25000000000000 107.868 > 2 7 Ag 0.00000000000000 0.62512904092397 0.25000000000000 107.868 > 2 8 Ag 0.00000000000000 0.87512904092397 0.25000000000000 107.868 > 2 9 Ag 0.50000000000000 0.24987095907603 0.75000000000000 107.868 > 1 10 Ag 0.50000000000000 0.49987095907603 0.75000000000000 107.868 > 1 11 Ag 0.50000000000000 0.74987095907603 0.75000000000000 107.868 > 1 12 Ag 0.50000000000000 0.99987095907603 0.75000000000000 107.868 > 1 13 Ag 0.50000000000000 0.00012904092397 0.25000000000000 107.868 > 2 14 Ag 0.50000000000000 0.25012904092397 0.25000000000000 107.868 > 2 15 Ag 0.50000000000000 0.50012904092397 0.25000000000000 107.868 > 2 16 Ag 0.50000000000000 0.75012904092397 0.25000000000000 107.868 > 2 *17 Au 0.00000000000000 0.00000000000000 0.00000000000000 196.967 > 3 18 Au 0.00000000000000 0.25000000000000 0.00000000000000 196.967 > 3 19 Au 0.00000000000000 0.50000000000000 0.00000000000000 196.967 > 3 20 Au 0.00000000000000 0.75000000000000 0.00000000000000 196.967 > 3 21 Au 0.00000000000000 0.00000000000000 0.50000000000000 196.967 > 4 22 Au 0.00000000000000 0.25000000000000 0.50000000000000 196.967 > 4 23 Au 0.00000000000000 0.50000000000000 0.50000000000000 196.967 > 4 24 Au 0.00000000000000 0.75000000000000 0.50000000000000 196.967 > 4 25 Au 0.50000000000000 0.12500000000000 0.00000000000000 196.967 > 3 26 Au 0.50000000000000 0.37500000000000 0.00000000000000 196.967 > 3 27 Au 0.50000000000000 0.62500000000000 0.00000000000000 196.967 > 3 28 Au 0.50000000000000 0.87500000000000 0.00000000000000 196.967 > 3 29 Au 0.50000000000000 0.12500000000000 0.50000000000000 196.967 > 4 30 Au 0.50000000000000 0.37500000000000 0.50000000000000 196.967 > 4 31 Au 0.50000000000000 0.62500000000000 0.50000000000000 196.967 > 4 32 Au 0.50000000000000 0.87500000000000 0.50000000000000 196.967 > 4 *33 Cl 0.88350356559365 0.01061529298681 0.09407723966881 35.453 > 5 34 Cl 0.88350356559365 0.26061529298681 0.09407723966881 35.453 > 5 35 Cl 0.88350356559365 0.51061529298681 0.09407723966881 35.453 > 5 36 Cl 0.88350356559365 0.76061529298681 0.09407723966881 35.453 > 5 37 Cl 0.11649643440635 0.01061529298681 0.40592276033120 35.453 > 6 38 Cl 0.11649643440635 0.26061529298681 0.40592276033120 35.453 > 6 39 Cl 0.11649643440635 0.51061529298681 0.40592276033120 35.453 > 6 40 Cl 0.11649643440635 0.76061529298681 0.40592276033120 35.453 > 6 *41 Cl 0.86598149623353 0.16975539813993 0.34985001370246 35.453 > 7 42 Cl 0.86598149623353 0.41975539813993 0.34985001370246 35.453 > 7 43 Cl 0.86598149623353 0.66975539813993 0.34985001370246 35.453 > 7 44 Cl 0.86598149623353 0.91975539813993 0.34985001370246 35.453 > 7 45 Cl 0.63401850376647 0.04475539813993 0.15014998629754 35.453 > 8 46 Cl 0.63401850376647 0.29475539813993 0.15014998629754 35.453 > 8 47 Cl 0.63401850376647 0.54475539813993 0.15014998629754 35.453 > 8 48 Cl 0.63401850376647 0.79475539813993 0.15014998629754 35.453 > 8 49 Cl 0.13401850376648 0.08024460186007 0.65014998629754 35.453 > 9 50 Cl 0.13401850376648 0.33024460186007 0.65014998629754 35.453 > 9 51 Cl 0.13401850376648 0.58024460186007 0.65014998629754 35.453 > 9 52 Cl 0.13401850376648 0.83024460186007 0.65014998629754 35.453 > 9 53 Cl 0.11649643440635 0.23938470701319 0.90592276033120 35.453 > 10 54 Cl 0.11649643440635 0.48938470701319 0.90592276033120 35.453 > 10 55 Cl 0.11649643440635 0.73938470701319 0.90592276033120 35.453 > 10 56 Cl 0.11649643440635 0.98938470701319 0.90592276033120 35.453 > 10 57 Cl 0.88350356559365 0.23938470701319 0.59407723966880 35.453 > 11 58 Cl 0.88350356559365 0.48938470701319 0.59407723966880 35.453 > 11 59 Cl 0.88350356559365 0.73938470701319 0.59407723966880 35.453 > 11 60 Cl 0.88350356559365 0.98938470701319 0.59407723966880 35.453 > 11 61 Cl 0.36598149623352 0.20524460186007 0.84985001370246 35.453 > 12 62 Cl 0.36598149623352 0.45524460186007 0.84985001370246 35.453 > 12 63 Cl 0.36598149623352 0.70524460186007 0.84985001370246 35.453 > 12 64 Cl 0.36598149623352 0.95524460186007 0.84985001370246 35.453 > 12 65 Cl 0.38350356559365 0.13561529298681 0.09407723966881 35.453 > 5 66 Cl 0.38350356559365 0.38561529298681 0.09407723966881 35.453 > 5 67 Cl 0.38350356559365 0.63561529298681 0.09407723966881 35.453 > 5 68 Cl 0.38350356559365 0.88561529298681 0.09407723966881 35.453 > 5 69 Cl 0.61649643440635 0.13561529298681 0.40592276033120 35.453 > 6 70 Cl 0.61649643440635 0.38561529298681 0.40592276033120 35.453 > 6 71 Cl 0.61649643440635 0.63561529298681 0.40592276033120 35.453 > 6 72 Cl 0.61649643440635 0.88561529298681 0.40592276033120 35.453 > 6 73 Cl 0.36598149623352 0.04475539813993 0.34985001370246 35.453 > 7 74 Cl 0.36598149623352 0.29475539813993 0.34985001370246 35.453 > 7 75 Cl 0.36598149623352 0.54475539813993 0.34985001370246 35.453 > 7 76 Cl 0.36598149623352 0.79475539813993 0.34985001370246 35.453 > 7 77 Cl 0.13401850376648 0.16975539813993 0.15014998629754 35.453 > 8 78 Cl 0.13401850376648 0.41975539813993 0.15014998629754 35.453 > 8 79 Cl 0.13401850376648 0.66975539813993 0.15014998629754 35.453 > 8 80 Cl 0.13401850376648 0.91975539813993 0.15014998629754 35.453 > 8 81 Cl 0.63401850376647 0.20524460186007 0.65014998629754 35.453 > 9 82 Cl 0.63401850376647 0.45524460186007 0.65014998629754 35.453 > 9 83 Cl 0.63401850376647 0.70524460186007 0.65014998629754 35.453 > 9 84 Cl 0.63401850376647 0.95524460186007 0.65014998629754 35.453 > 9 85 Cl 0.61649643440635 0.11438470701319 0.90592276033120 35.453 > 10 86 Cl 0.61649643440635 0.36438470701319 0.90592276033120 35.453 > 10 87 Cl 0.61649643440635 0.61438470701319 0.90592276033120 35.453 > 10 88 Cl 0.61649643440635 0.86438470701319 0.90592276033120 35.453 > 10 89 Cl 0.38350356559365 0.11438470701319 0.59407723966880 35.453 > 11 90 Cl 0.38350356559365 0.36438470701319 0.59407723966880 35.453 > 11 91 Cl 0.38350356559365 0.61438470701319 0.59407723966880 35.453 > 11 92 Cl 0.38350356559365 0.86438470701319 0.59407723966880 35.453 > 11 93 Cl 0.86598149623353 0.08024460186007 0.84985001370246 35.453 > 12 94 Cl 0.86598149623353 0.33024460186007 0.84985001370246 35.453 > 12 95 Cl 0.86598149623353 0.58024460186007 0.84985001370246 35.453 > 12 96 Cl 0.86598149623353 0.83024460186007 0.84985001370246 35.453 > 12----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.4782035 0.0000000 -1.0148956 0.0000000 4.3463152 0.0000000 -1.0148954 0.0000000 5.8864413-------------------------- Born effective charges -------------------------- 1 Ag 0.8933890 0.0000000 -0.5867423 -0.0000000 1.4120083 0.0000000 -0.3647654 -0.0000000 1.7753391 2 Ag 0.8933890 0.0000000 -0.5867423 -0.0000000 1.4120083 0.0000000 -0.3647654 -0.0000000 1.7753391 3 Au 1.0679892 -0.3787876 -0.0933179 -0.6247303 0.9427715 -0.0374987 -0.2280240 -0.3820911 1.1912889 4 Au 1.0679892 0.3787876 -0.0933179 0.6247303 0.9427715 0.0374987 -0.2280240 0.3820911 1.1912889 5 Cl -0.7109410 -0.0705112 0.4585413 0.1409509 -0.4308900 -0.2868122 0.6414730 -0.1465891 -0.5547536 6 Cl -0.7109410 0.0705112 0.4585413 -0.1409509 -0.4308900 0.2868122 0.6414730 0.1465891 -0.5547536 7 Cl -0.2697481 -0.0081610 -0.1185113 -0.0181283 -0.7464998 -0.1053474 -0.3450782 -0.1837753 -0.9285604 8 Cl -0.2697481 0.0081610 -0.1185113 0.0181283 -0.7464998 0.1053474 -0.3450782 0.1837753 -0.9285604 9 Cl -0.2697481 -0.0081610 -0.1185113 -0.0181283 -0.7464998 -0.1053474 -0.3450782 -0.1837753 -0.9285604 10 Cl -0.7109410 -0.0705112 0.4585413 0.1409509 -0.4308900 -0.2868122 0.6414730 -0.1465891 -0.5547536 11 Cl -0.7109410 0.0705112 0.4585413 -0.1409509 -0.4308900 0.2868122 0.6414730 0.1465891 -0.5547536 12 Cl -0.2697481 0.0081610 -0.1185113 0.0181283 -0.7464998 0.1053474 -0.3450782 0.1837753 -0.9285604----------------------------------------------------------------------------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: 288/288Permutation basis: 6624/6624Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1399Number of blocks in projector: 1399Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 298Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 282Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 282Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 179Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 179Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 179Use standard eigh solver.Tree of FC basis block matrices:- (1399, 1368), data: False|-- (179, 175), data: True|-- (179, 175), data: True|-- (179, 175), data: True|-- (282, 276), data: True|-- (282, 276), data: True|-- (298, 291), data: True-----Solver_atoms: 1 -- 96 / 96Time (Solver_compr_matrix_reshape): 0.003Solver_block: 100 / 400 - Time: 1.594Solver_block: 200 / 400 - Time: 1.613Solver_block: 300 / 400 - Time: 1.600Solver_block: 400 / 400 - Time: 1.606Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.446--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 288/288Permutation basis: 6624/6624Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1399Number of blocks in projector: 1399Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 298Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 282Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 282Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 179Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 179Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 179Use standard eigh solver.Tree of FC basis block matrices:- (1399, 1368), data: False|-- (179, 175), data: True|-- (179, 175), data: True|-- (179, 175), data: True|-- (282, 276), data: True|-- (282, 276), data: True|-- (298, 291), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 18:53:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 18:53:55]-------------------------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): [1 4 1]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: C2/c (15)------------------------------ primitive cell ------------------------------Lattice vectors: a 6.238771880890880 -2.055613120000000 0.000000000000000 b 6.238771880890880 2.055613120000000 0.000000000000000 c -6.005915560534412 0.000000000000000 11.438577854365553Atomic positions (fractional): 1 Ag 0.50051616369590 0.49948383630410 0.75000000000000 107.868 2 Ag 0.49948383630410 0.50051616369590 0.25000000000000 107.868 3 Au 0.00000000000000 0.00000000000000 0.00000000000000 196.967 4 Au 0.00000000000000 0.00000000000000 0.50000000000000 196.967 5 Cl 0.84104239364639 0.92596473754090 0.09407723966881 35.453 6 Cl 0.07403526245910 0.15895760635361 0.40592276033120 35.453 7 Cl 0.18695990367380 0.54500308879325 0.34985001370246 35.453 8 Cl 0.45499691120675 0.81304009632620 0.15014998629754 35.453 9 Cl 0.81304009632620 0.45499691120675 0.65014998629754 35.453 10 Cl 0.15895760635361 0.07403526245910 0.90592276033120 35.453 11 Cl 0.92596473754090 0.84104239364639 0.59407723966880 35.453 12 Cl 0.54500308879325 0.18695990367380 0.84985001370246 35.453-------------------------------- supercell ---------------------------------Lattice vectors: a 12.477543761781760 0.000000000000000 0.000000000000000 b 0.000000000000000 16.444904959999999 0.000000000000000 c -6.005915560534412 0.000000000000000 11.438577854365553Atomic positions (fractional): 1 Ag 0.00000000000000 0.12487095907603 0.75000000000000 107.868 > 1 2 Ag 0.00000000000000 0.37487095907603 0.75000000000000 107.868 > 1 3 Ag 0.00000000000000 0.62487095907603 0.75000000000000 107.868 > 1 4 Ag 0.00000000000000 0.87487095907603 0.75000000000000 107.868 > 1 5 Ag 0.00000000000000 0.12512904092397 0.25000000000000 107.868 > 5 6 Ag 0.00000000000000 0.37512904092397 0.25000000000000 107.868 > 5 7 Ag 0.00000000000000 0.62512904092397 0.25000000000000 107.868 > 5 8 Ag 0.00000000000000 0.87512904092397 0.25000000000000 107.868 > 5 9 Ag 0.50000000000000 0.24987095907603 0.75000000000000 107.868 > 1 10 Ag 0.50000000000000 0.49987095907603 0.75000000000000 107.868 > 1 11 Ag 0.50000000000000 0.74987095907603 0.75000000000000 107.868 > 1 12 Ag 0.50000000000000 0.99987095907603 0.75000000000000 107.868 > 1 13 Ag 0.50000000000000 0.00012904092397 0.25000000000000 107.868 > 5 14 Ag 0.50000000000000 0.25012904092397 0.25000000000000 107.868 > 5 15 Ag 0.50000000000000 0.50012904092397 0.25000000000000 107.868 > 5 16 Ag 0.50000000000000 0.75012904092397 0.25000000000000 107.868 > 5 17 Au 0.00000000000000 0.00000000000000 0.00000000000000 196.967 > 17 18 Au 0.00000000000000 0.25000000000000 0.00000000000000 196.967 > 17 19 Au 0.00000000000000 0.50000000000000 0.00000000000000 196.967 > 17 20 Au 0.00000000000000 0.75000000000000 0.00000000000000 196.967 > 17 21 Au 0.00000000000000 0.00000000000000 0.50000000000000 196.967 > 21 22 Au 0.00000000000000 0.25000000000000 0.50000000000000 196.967 > 21 23 Au 0.00000000000000 0.50000000000000 0.50000000000000 196.967 > 21 24 Au 0.00000000000000 0.75000000000000 0.50000000000000 196.967 > 21 25 Au 0.50000000000000 0.12500000000000 0.00000000000000 196.967 > 17 26 Au 0.50000000000000 0.37500000000000 0.00000000000000 196.967 > 17 27 Au 0.50000000000000 0.62500000000000 0.00000000000000 196.967 > 17 28 Au 0.50000000000000 0.87500000000000 0.00000000000000 196.967 > 17 29 Au 0.50000000000000 0.12500000000000 0.50000000000000 196.967 > 21 30 Au 0.50000000000000 0.37500000000000 0.50000000000000 196.967 > 21 31 Au 0.50000000000000 0.62500000000000 0.50000000000000 196.967 > 21 32 Au 0.50000000000000 0.87500000000000 0.50000000000000 196.967 > 21 33 Cl 0.88350356559365 0.01061529298681 0.09407723966881 35.453 > 33 34 Cl 0.88350356559365 0.26061529298681 0.09407723966881 35.453 > 33 35 Cl 0.88350356559365 0.51061529298681 0.09407723966881 35.453 > 33 36 Cl 0.88350356559365 0.76061529298681 0.09407723966881 35.453 > 33 37 Cl 0.11649643440635 0.01061529298681 0.40592276033120 35.453 > 37 38 Cl 0.11649643440635 0.26061529298681 0.40592276033120 35.453 > 37 39 Cl 0.11649643440635 0.51061529298681 0.40592276033120 35.453 > 37 40 Cl 0.11649643440635 0.76061529298681 0.40592276033120 35.453 > 37 41 Cl 0.86598149623353 0.16975539813993 0.34985001370246 35.453 > 41 42 Cl 0.86598149623353 0.41975539813993 0.34985001370246 35.453 > 41 43 Cl 0.86598149623353 0.66975539813993 0.34985001370246 35.453 > 41 44 Cl 0.86598149623353 0.91975539813993 0.34985001370246 35.453 > 41 45 Cl 0.63401850376647 0.04475539813993 0.15014998629754 35.453 > 45 46 Cl 0.63401850376647 0.29475539813993 0.15014998629754 35.453 > 45 47 Cl 0.63401850376647 0.54475539813993 0.15014998629754 35.453 > 45 48 Cl 0.63401850376647 0.79475539813993 0.15014998629754 35.453 > 45 49 Cl 0.13401850376648 0.08024460186007 0.65014998629754 35.453 > 49 50 Cl 0.13401850376648 0.33024460186007 0.65014998629754 35.453 > 49 51 Cl 0.13401850376648 0.58024460186007 0.65014998629754 35.453 > 49 52 Cl 0.13401850376648 0.83024460186007 0.65014998629754 35.453 > 49 53 Cl 0.11649643440635 0.23938470701319 0.90592276033120 35.453 > 53 54 Cl 0.11649643440635 0.48938470701319 0.90592276033120 35.453 > 53 55 Cl 0.11649643440635 0.73938470701319 0.90592276033120 35.453 > 53 56 Cl 0.11649643440635 0.98938470701319 0.90592276033120 35.453 > 53 57 Cl 0.88350356559365 0.23938470701319 0.59407723966880 35.453 > 57 58 Cl 0.88350356559365 0.48938470701319 0.59407723966880 35.453 > 57 59 Cl 0.88350356559365 0.73938470701319 0.59407723966880 35.453 > 57 60 Cl 0.88350356559365 0.98938470701319 0.59407723966880 35.453 > 57 61 Cl 0.36598149623352 0.20524460186007 0.84985001370246 35.453 > 61 62 Cl 0.36598149623352 0.45524460186007 0.84985001370246 35.453 > 61 63 Cl 0.36598149623352 0.70524460186007 0.84985001370246 35.453 > 61 64 Cl 0.36598149623352 0.95524460186007 0.84985001370246 35.453 > 61 65 Cl 0.38350356559365 0.13561529298681 0.09407723966881 35.453 > 33 66 Cl 0.38350356559365 0.38561529298681 0.09407723966881 35.453 > 33 67 Cl 0.38350356559365 0.63561529298681 0.09407723966881 35.453 > 33 68 Cl 0.38350356559365 0.88561529298681 0.09407723966881 35.453 > 33 69 Cl 0.61649643440635 0.13561529298681 0.40592276033120 35.453 > 37 70 Cl 0.61649643440635 0.38561529298681 0.40592276033120 35.453 > 37 71 Cl 0.61649643440635 0.63561529298681 0.40592276033120 35.453 > 37 72 Cl 0.61649643440635 0.88561529298681 0.40592276033120 35.453 > 37 73 Cl 0.36598149623352 0.04475539813993 0.34985001370246 35.453 > 41 74 Cl 0.36598149623352 0.29475539813993 0.34985001370246 35.453 > 41 75 Cl 0.36598149623352 0.54475539813993 0.34985001370246 35.453 > 41 76 Cl 0.36598149623352 0.79475539813993 0.34985001370246 35.453 > 41 77 Cl 0.13401850376648 0.16975539813993 0.15014998629754 35.453 > 45 78 Cl 0.13401850376648 0.41975539813993 0.15014998629754 35.453 > 45 79 Cl 0.13401850376648 0.66975539813993 0.15014998629754 35.453 > 45 80 Cl 0.13401850376648 0.91975539813993 0.15014998629754 35.453 > 45 81 Cl 0.63401850376647 0.20524460186007 0.65014998629754 35.453 > 49 82 Cl 0.63401850376647 0.45524460186007 0.65014998629754 35.453 > 49 83 Cl 0.63401850376647 0.70524460186007 0.65014998629754 35.453 > 49 84 Cl 0.63401850376647 0.95524460186007 0.65014998629754 35.453 > 49 85 Cl 0.61649643440635 0.11438470701319 0.90592276033120 35.453 > 53 86 Cl 0.61649643440635 0.36438470701319 0.90592276033120 35.453 > 53 87 Cl 0.61649643440635 0.61438470701319 0.90592276033120 35.453 > 53 88 Cl 0.61649643440635 0.86438470701319 0.90592276033120 35.453 > 53 89 Cl 0.38350356559365 0.11438470701319 0.59407723966880 35.453 > 57 90 Cl 0.38350356559365 0.36438470701319 0.59407723966880 35.453 > 57 91 Cl 0.38350356559365 0.61438470701319 0.59407723966880 35.453 > 57 92 Cl 0.38350356559365 0.86438470701319 0.59407723966880 35.453 > 57 93 Cl 0.86598149623353 0.08024460186007 0.84985001370246 35.453 > 61 94 Cl 0.86598149623353 0.33024460186007 0.84985001370246 35.453 > 61 95 Cl 0.86598149623353 0.58024460186007 0.84985001370246 35.453 > 61 96 Cl 0.86598149623353 0.83024460186007 0.84985001370246 35.453 > 61----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.4782035 0.0000000 -1.0148956 0.0000000 4.3463152 0.0000000 -1.0148954 0.0000000 5.8864413-------------------------- Born effective charges -------------------------- 1 Ag 0.8933890 0.0000000 -0.5867423 -0.0000000 1.4120083 0.0000000 -0.3647654 -0.0000000 1.7753391 2 Ag 0.8933890 0.0000000 -0.5867423 -0.0000000 1.4120083 0.0000000 -0.3647654 -0.0000000 1.7753391 3 Au 1.0679892 -0.3787876 -0.0933179 -0.6247303 0.9427715 -0.0374987 -0.2280240 -0.3820911 1.1912889 4 Au 1.0679892 0.3787876 -0.0933179 0.6247303 0.9427715 0.0374987 -0.2280240 0.3820911 1.1912889 5 Cl -0.7109410 -0.0705112 0.4585413 0.1409509 -0.4308900 -0.2868122 0.6414730 -0.1465891 -0.5547536 6 Cl -0.7109410 0.0705112 0.4585413 -0.1409509 -0.4308900 0.2868122 0.6414730 0.1465891 -0.5547536 7 Cl -0.2697481 -0.0081610 -0.1185113 -0.0181283 -0.7464998 -0.1053474 -0.3450782 -0.1837753 -0.9285604 8 Cl -0.2697481 0.0081610 -0.1185113 0.0181283 -0.7464998 0.1053474 -0.3450782 0.1837753 -0.9285604 9 Cl -0.2697481 -0.0081610 -0.1185113 -0.0181283 -0.7464998 -0.1053474 -0.3450782 -0.1837753 -0.9285604 10 Cl -0.7109410 -0.0705112 0.4585413 0.1409509 -0.4308900 -0.2868122 0.6414730 -0.1465891 -0.5547536 11 Cl -0.7109410 0.0705112 0.4585413 -0.1409509 -0.4308900 0.2868122 0.6414730 0.1465891 -0.5547536 12 Cl -0.2697481 0.0081610 -0.1185113 0.0181283 -0.7464998 0.1053474 -0.3450782 0.1837753 -0.9285604----------------------------------------------------------------------------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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089]Computing fc3[ 17, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089]Computing fc3[ 33, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089]Computing fc3[ 41, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000000 (xxy) -0.00000000 (xxy) -0.00000000 (xyx)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 18:54:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 18:54:08]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [1 4 1]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: C2/c (15)------------------------------ primitive cell ------------------------------Lattice vectors: a 6.238771880890880 -2.055613120000000 0.000000000000000 b 6.238771880890880 2.055613120000000 0.000000000000000 c -6.005915560534412 0.000000000000000 11.438577854365553Atomic positions (fractional): 1 Ag 0.50051616369590 0.49948383630410 0.75000000000000 107.868 2 Ag 0.49948383630410 0.50051616369590 0.25000000000000 107.868 3 Au 0.00000000000000 0.00000000000000 0.00000000000000 196.967 4 Au 0.00000000000000 0.00000000000000 0.50000000000000 196.967 5 Cl 0.84104239364639 0.92596473754090 0.09407723966881 35.453 6 Cl 0.07403526245910 0.15895760635361 0.40592276033120 35.453 7 Cl 0.18695990367380 0.54500308879325 0.34985001370246 35.453 8 Cl 0.45499691120675 0.81304009632620 0.15014998629754 35.453 9 Cl 0.81304009632620 0.45499691120675 0.65014998629754 35.453 10 Cl 0.15895760635361 0.07403526245910 0.90592276033120 35.453 11 Cl 0.92596473754090 0.84104239364639 0.59407723966880 35.453 12 Cl 0.54500308879325 0.18695990367380 0.84985001370246 35.453-------------------------------- supercell ---------------------------------Lattice vectors: a 12.477543761781760 0.000000000000000 0.000000000000000 b 0.000000000000000 16.444904959999999 0.000000000000000 c -6.005915560534412 0.000000000000000 11.438577854365553Atomic positions (fractional): 1 Ag 0.00000000000000 0.12487095907603 0.75000000000000 107.868 > 1 2 Ag 0.00000000000000 0.37487095907603 0.75000000000000 107.868 > 1 3 Ag 0.00000000000000 0.62487095907603 0.75000000000000 107.868 > 1 4 Ag 0.00000000000000 0.87487095907603 0.75000000000000 107.868 > 1 5 Ag 0.00000000000000 0.12512904092397 0.25000000000000 107.868 > 5 6 Ag 0.00000000000000 0.37512904092397 0.25000000000000 107.868 > 5 7 Ag 0.00000000000000 0.62512904092397 0.25000000000000 107.868 > 5 8 Ag 0.00000000000000 0.87512904092397 0.25000000000000 107.868 > 5 9 Ag 0.50000000000000 0.24987095907603 0.75000000000000 107.868 > 1 10 Ag 0.50000000000000 0.49987095907603 0.75000000000000 107.868 > 1 11 Ag 0.50000000000000 0.74987095907603 0.75000000000000 107.868 > 1 12 Ag 0.50000000000000 0.99987095907603 0.75000000000000 107.868 > 1 13 Ag 0.50000000000000 0.00012904092397 0.25000000000000 107.868 > 5 14 Ag 0.50000000000000 0.25012904092397 0.25000000000000 107.868 > 5 15 Ag 0.50000000000000 0.50012904092397 0.25000000000000 107.868 > 5 16 Ag 0.50000000000000 0.75012904092397 0.25000000000000 107.868 > 5 17 Au 0.00000000000000 0.00000000000000 0.00000000000000 196.967 > 17 18 Au 0.00000000000000 0.25000000000000 0.00000000000000 196.967 > 17 19 Au 0.00000000000000 0.50000000000000 0.00000000000000 196.967 > 17 20 Au 0.00000000000000 0.75000000000000 0.00000000000000 196.967 > 17 21 Au 0.00000000000000 0.00000000000000 0.50000000000000 196.967 > 21 22 Au 0.00000000000000 0.25000000000000 0.50000000000000 196.967 > 21 23 Au 0.00000000000000 0.50000000000000 0.50000000000000 196.967 > 21 24 Au 0.00000000000000 0.75000000000000 0.50000000000000 196.967 > 21 25 Au 0.50000000000000 0.12500000000000 0.00000000000000 196.967 > 17 26 Au 0.50000000000000 0.37500000000000 0.00000000000000 196.967 > 17 27 Au 0.50000000000000 0.62500000000000 0.00000000000000 196.967 > 17 28 Au 0.50000000000000 0.87500000000000 0.00000000000000 196.967 > 17 29 Au 0.50000000000000 0.12500000000000 0.50000000000000 196.967 > 21 30 Au 0.50000000000000 0.37500000000000 0.50000000000000 196.967 > 21 31 Au 0.50000000000000 0.62500000000000 0.50000000000000 196.967 > 21 32 Au 0.50000000000000 0.87500000000000 0.50000000000000 196.967 > 21 33 Cl 0.88350356559365 0.01061529298681 0.09407723966881 35.453 > 33 34 Cl 0.88350356559365 0.26061529298681 0.09407723966881 35.453 > 33 35 Cl 0.88350356559365 0.51061529298681 0.09407723966881 35.453 > 33 36 Cl 0.88350356559365 0.76061529298681 0.09407723966881 35.453 > 33 37 Cl 0.11649643440635 0.01061529298681 0.40592276033120 35.453 > 37 38 Cl 0.11649643440635 0.26061529298681 0.40592276033120 35.453 > 37 39 Cl 0.11649643440635 0.51061529298681 0.40592276033120 35.453 > 37 40 Cl 0.11649643440635 0.76061529298681 0.40592276033120 35.453 > 37 41 Cl 0.86598149623353 0.16975539813993 0.34985001370246 35.453 > 41 42 Cl 0.86598149623353 0.41975539813993 0.34985001370246 35.453 > 41 43 Cl 0.86598149623353 0.66975539813993 0.34985001370246 35.453 > 41 44 Cl 0.86598149623353 0.91975539813993 0.34985001370246 35.453 > 41 45 Cl 0.63401850376647 0.04475539813993 0.15014998629754 35.453 > 45 46 Cl 0.63401850376647 0.29475539813993 0.15014998629754 35.453 > 45 47 Cl 0.63401850376647 0.54475539813993 0.15014998629754 35.453 > 45 48 Cl 0.63401850376647 0.79475539813993 0.15014998629754 35.453 > 45 49 Cl 0.13401850376648 0.08024460186007 0.65014998629754 35.453 > 49 50 Cl 0.13401850376648 0.33024460186007 0.65014998629754 35.453 > 49 51 Cl 0.13401850376648 0.58024460186007 0.65014998629754 35.453 > 49 52 Cl 0.13401850376648 0.83024460186007 0.65014998629754 35.453 > 49 53 Cl 0.11649643440635 0.23938470701319 0.90592276033120 35.453 > 53 54 Cl 0.11649643440635 0.48938470701319 0.90592276033120 35.453 > 53 55 Cl 0.11649643440635 0.73938470701319 0.90592276033120 35.453 > 53 56 Cl 0.11649643440635 0.98938470701319 0.90592276033120 35.453 > 53 57 Cl 0.88350356559365 0.23938470701319 0.59407723966880 35.453 > 57 58 Cl 0.88350356559365 0.48938470701319 0.59407723966880 35.453 > 57 59 Cl 0.88350356559365 0.73938470701319 0.59407723966880 35.453 > 57 60 Cl 0.88350356559365 0.98938470701319 0.59407723966880 35.453 > 57 61 Cl 0.36598149623352 0.20524460186007 0.84985001370246 35.453 > 61 62 Cl 0.36598149623352 0.45524460186007 0.84985001370246 35.453 > 61 63 Cl 0.36598149623352 0.70524460186007 0.84985001370246 35.453 > 61 64 Cl 0.36598149623352 0.95524460186007 0.84985001370246 35.453 > 61 65 Cl 0.38350356559365 0.13561529298681 0.09407723966881 35.453 > 33 66 Cl 0.38350356559365 0.38561529298681 0.09407723966881 35.453 > 33 67 Cl 0.38350356559365 0.63561529298681 0.09407723966881 35.453 > 33 68 Cl 0.38350356559365 0.88561529298681 0.09407723966881 35.453 > 33 69 Cl 0.61649643440635 0.13561529298681 0.40592276033120 35.453 > 37 70 Cl 0.61649643440635 0.38561529298681 0.40592276033120 35.453 > 37 71 Cl 0.61649643440635 0.63561529298681 0.40592276033120 35.453 > 37 72 Cl 0.61649643440635 0.88561529298681 0.40592276033120 35.453 > 37 73 Cl 0.36598149623352 0.04475539813993 0.34985001370246 35.453 > 41 74 Cl 0.36598149623352 0.29475539813993 0.34985001370246 35.453 > 41 75 Cl 0.36598149623352 0.54475539813993 0.34985001370246 35.453 > 41 76 Cl 0.36598149623352 0.79475539813993 0.34985001370246 35.453 > 41 77 Cl 0.13401850376648 0.16975539813993 0.15014998629754 35.453 > 45 78 Cl 0.13401850376648 0.41975539813993 0.15014998629754 35.453 > 45 79 Cl 0.13401850376648 0.66975539813993 0.15014998629754 35.453 > 45 80 Cl 0.13401850376648 0.91975539813993 0.15014998629754 35.453 > 45 81 Cl 0.63401850376647 0.20524460186007 0.65014998629754 35.453 > 49 82 Cl 0.63401850376647 0.45524460186007 0.65014998629754 35.453 > 49 83 Cl 0.63401850376647 0.70524460186007 0.65014998629754 35.453 > 49 84 Cl 0.63401850376647 0.95524460186007 0.65014998629754 35.453 > 49 85 Cl 0.61649643440635 0.11438470701319 0.90592276033120 35.453 > 53 86 Cl 0.61649643440635 0.36438470701319 0.90592276033120 35.453 > 53 87 Cl 0.61649643440635 0.61438470701319 0.90592276033120 35.453 > 53 88 Cl 0.61649643440635 0.86438470701319 0.90592276033120 35.453 > 53 89 Cl 0.38350356559365 0.11438470701319 0.59407723966880 35.453 > 57 90 Cl 0.38350356559365 0.36438470701319 0.59407723966880 35.453 > 57 91 Cl 0.38350356559365 0.61438470701319 0.59407723966880 35.453 > 57 92 Cl 0.38350356559365 0.86438470701319 0.59407723966880 35.453 > 57 93 Cl 0.86598149623353 0.08024460186007 0.84985001370246 35.453 > 61 94 Cl 0.86598149623353 0.33024460186007 0.84985001370246 35.453 > 61 95 Cl 0.86598149623353 0.58024460186007 0.84985001370246 35.453 > 61 96 Cl 0.86598149623353 0.83024460186007 0.84985001370246 35.453 > 61----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 5.4782035 0.0000000 -1.0148956 0.0000000 4.3463152 0.0000000 -1.0148954 0.0000000 5.8864413-------------------------- Born effective charges -------------------------- 1 Ag 0.8933890 0.0000000 -0.5867423 -0.0000000 1.4120083 0.0000000 -0.3647654 -0.0000000 1.7753391 2 Ag 0.8933890 0.0000000 -0.5867423 -0.0000000 1.4120083 0.0000000 -0.3647654 -0.0000000 1.7753391 3 Au 1.0679892 -0.3787876 -0.0933179 -0.6247303 0.9427715 -0.0374987 -0.2280240 -0.3820911 1.1912889 4 Au 1.0679892 0.3787876 -0.0933179 0.6247303 0.9427715 0.0374987 -0.2280240 0.3820911 1.1912889 5 Cl -0.7109410 -0.0705112 0.4585413 0.1409509 -0.4308900 -0.2868122 0.6414730 -0.1465891 -0.5547536 6 Cl -0.7109410 0.0705112 0.4585413 -0.1409509 -0.4308900 0.2868122 0.6414730 0.1465891 -0.5547536 7 Cl -0.2697481 -0.0081610 -0.1185113 -0.0181283 -0.7464998 -0.1053474 -0.3450782 -0.1837753 -0.9285604 8 Cl -0.2697481 0.0081610 -0.1185113 0.0181283 -0.7464998 0.1053474 -0.3450782 0.1837753 -0.9285604 9 Cl -0.2697481 -0.0081610 -0.1185113 -0.0181283 -0.7464998 -0.1053474 -0.3450782 -0.1837753 -0.9285604 10 Cl -0.7109410 -0.0705112 0.4585413 0.1409509 -0.4308900 -0.2868122 0.6414730 -0.1465891 -0.5547536 11 Cl -0.7109410 0.0705112 0.4585413 -0.1409509 -0.4308900 0.2868122 0.6414730 0.1465891 -0.5547536 12 Cl -0.2697481 0.0081610 -0.1185113 0.0181283 -0.7464998 0.1053474 -0.3450782 0.1837753 -0.9285604----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (xxy) -0.00000000 (xxy) -0.00000000 (xyx)Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 ... [ 13 13 4 ]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: 0.62, Number of G-points: 315, Lambda: 0.15Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/189) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 189Calculating 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 0.716 ( 0.000 0.000 0.000) 0.000 0.767 ( 0.000 0.000 0.000) 0.000 0.890 ( 0.000 0.000 0.000) 0.000 1.245 ( 0.000 0.000 0.000) 0.000 1.432 ( 0.000 0.000 0.000) 0.000 1.727 ( 0.000 0.000 0.000) 0.000 1.769 ( 0.000 0.000 0.000) 0.000 2.129 ( 0.000 0.000 0.000) 0.000 2.328 ( 0.000 0.000 0.000) 0.000 2.334 ( 0.000 0.000 0.000) 0.000 2.336 ( 0.000 0.000 0.000) 0.000 2.584 ( 0.000 0.000 0.000) 0.000 3.049 ( 0.000 0.000 0.000) 0.000 3.292 ( 0.000 0.000 0.000) 0.000 3.647 ( 0.000 0.000 0.000) 0.000 3.808 ( 0.000 0.000 0.000) 0.000 3.975 ( 0.000 0.000 0.000) 0.000 4.104 ( 0.000 0.000 0.000) 0.000 4.460 ( 0.000 0.000 0.000) 0.000 4.694 ( 0.000 0.000 0.000) 0.000 5.023 ( 0.000 0.000 0.000) 0.000 5.614 ( 0.000 0.000 0.000) 0.000 5.653 ( 0.000 0.000 0.000) 0.000 5.772 ( 0.000 0.000 0.000) 0.000 5.884 ( 0.000 0.000 0.000) 0.000 8.977 ( 0.000 0.000 0.000) 0.000 9.101 ( 0.000 0.000 0.000) 0.000 9.587 ( 0.000 0.000 0.000) 0.000 9.651 ( 0.000 0.000 0.000) 0.000 10.054 ( 0.000 0.000 0.000) 0.000 10.128 ( 0.000 0.000 0.000) 0.000 10.323 ( 0.000 0.000 0.000) 0.000 10.411 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/189) =======================q-point: ( 0.08 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.178 ( 3.792 -7.449 3.500) 9.062 0.238 ( 1.914 -11.267 2.157) 11.630 0.360 ( 1.999 -17.913 1.692) 18.103 0.708 ( 0.390 0.103 -2.460) 2.493 0.793 ( 1.231 -0.606 0.379) 1.424 0.934 ( 0.590 -4.104 -0.533) 4.180 1.235 ( -0.470 0.819 0.803) 1.239 1.410 ( 1.481 3.649 2.856) 4.865 1.794 ( 0.114 -6.145 -0.756) 6.193 1.898 ( -2.051 -5.587 0.326) 5.961 2.129 ( -0.782 -0.209 0.269) 0.853 2.279 ( -0.753 3.175 -0.930) 3.394 2.341 ( -0.362 0.270 0.024) 0.452 2.435 ( -3.228 -1.299 -0.420) 3.505 2.571 ( -1.599 0.708 -0.183) 1.758 3.054 ( -0.136 -0.669 -0.149) 0.699 3.279 ( -1.870 0.357 -0.402) 1.946 3.728 ( -2.576 0.412 -0.376) 2.636 3.819 ( -0.159 -0.780 0.070) 0.799 4.056 ( 1.275 -7.239 0.216) 7.354 4.125 ( -0.777 -2.273 0.699) 2.502 4.544 ( -1.863 -3.163 -0.966) 3.796 4.694 ( 0.992 0.311 0.158) 1.052 5.136 ( -3.475 -3.548 -1.231) 5.117 5.616 ( -0.574 -0.274 0.470) 0.791 5.654 ( 0.817 0.143 -0.086) 0.834 5.772 ( -0.388 -0.160 -0.551) 0.693 5.883 ( 0.636 0.485 -0.169) 0.817 8.979 ( -0.133 -0.240 0.027) 0.276 9.094 ( -0.237 0.632 0.209) 0.707 9.590 ( 0.066 -0.253 0.230) 0.348 9.648 ( 0.355 0.314 -0.261) 0.541 10.067 ( 0.184 -0.557 2.245) 2.320 10.198 ( -4.059 -1.148 1.139) 4.369 10.329 ( 4.347 1.529 -2.696) 5.339 10.401 ( -0.005 1.037 0.140) 1.046======================= Grid point 2 (3/189) =======================q-point: ( 0.15 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.342 ( 3.558 -6.467 2.709) 7.862 0.451 ( 1.861 -9.498 1.046) 9.735 0.661 ( -2.745 -7.428 1.116) 7.997 0.744 ( 4.220 -9.192 -1.312) 10.199 0.828 ( 2.713 -2.190 -0.725) 3.561 1.024 ( 1.419 -4.424 -0.743) 4.705 1.225 ( -0.495 0.097 1.408) 1.495 1.367 ( 0.740 1.849 1.459) 2.469 1.896 ( -0.625 -3.563 -0.941) 3.738 2.013 ( -1.620 -6.818 0.984) 7.076 2.130 ( -1.660 -0.906 -0.037) 1.892 2.231 ( -0.956 -0.132 -0.610) 1.142 2.324 ( -0.563 0.899 -0.251) 1.091 2.434 ( -1.160 0.004 -0.569) 1.292 2.544 ( -2.541 0.383 -0.432) 2.606 3.073 ( -0.197 -1.400 0.147) 1.421 3.268 ( -2.688 -1.127 -0.632) 2.983 3.699 ( -0.191 1.640 0.485) 1.721 3.829 ( -0.899 -0.612 0.166) 1.100 4.177 ( -0.207 -3.408 -0.445) 3.443 4.242 ( 0.218 -11.091 0.604) 11.109 4.595 ( -2.956 -3.233 1.269) 4.561 4.700 ( 3.290 0.089 -1.872) 3.786 5.194 ( -1.114 -4.320 -0.340) 4.474 5.622 ( -0.672 -0.611 0.596) 1.086 5.659 ( 1.243 -0.018 0.139) 1.251 5.771 ( -0.638 -0.365 -1.032) 1.267 5.875 ( 0.261 0.555 0.286) 0.677 8.983 ( -0.252 -0.327 0.076) 0.420 9.076 ( -0.374 1.114 0.347) 1.225 9.600 ( 0.183 -0.599 0.376) 0.731 9.642 ( 0.578 0.569 -0.385) 0.898 10.092 ( 0.303 -1.201 1.558) 1.990 10.198 ( -1.956 -0.582 -0.414) 2.082 10.314 ( 1.981 1.484 -1.133) 2.722 10.377 ( 0.205 1.555 0.214) 1.583======================= Grid point 3 (4/189) =======================q-point: ( 0.23 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.473 ( 2.768 -4.453 1.764) 5.532 0.606 ( 0.949 -5.069 -2.271) 5.635 0.697 ( -0.761 -2.701 0.961) 2.966 0.884 ( 3.627 -2.586 0.609) 4.496 1.025 ( 0.161 -12.443 1.332) 12.515 1.092 ( 4.074 -2.072 -1.755) 4.896 1.246 ( 0.002 -2.744 1.316) 3.043 1.381 ( -0.021 -2.912 1.021) 3.086 1.894 ( -1.249 1.675 -1.529) 2.590 2.072 ( -3.451 -0.511 0.263) 3.498 2.187 ( -1.408 -6.023 0.230) 6.190 2.240 ( -0.616 1.079 0.412) 1.309 2.347 ( -0.543 -5.140 0.032) 5.168 2.416 ( -0.692 0.851 -0.035) 1.097 2.531 ( -1.753 -0.880 -1.741) 2.622 3.099 ( -0.317 -1.120 0.719) 1.369 3.291 ( -2.356 -3.257 -0.633) 4.069 3.671 ( 0.906 1.665 0.417) 1.941 3.830 ( -1.511 -0.215 -0.012) 1.526 4.244 ( -0.079 -3.917 -0.054) 3.918 4.451 ( -0.118 -10.439 0.318) 10.444 4.624 ( -4.728 -1.595 4.520) 6.733 4.722 ( 5.016 -0.749 -5.304) 7.339 5.276 ( -0.060 -4.689 0.246) 4.696 5.634 ( -0.561 -0.708 0.439) 1.004 5.672 ( 1.407 -0.385 0.551) 1.560 5.771 ( -0.747 -0.547 -1.358) 1.644 5.871 ( 0.045 0.055 0.413) 0.419 8.988 ( -0.268 -0.337 0.117) 0.446 9.052 ( -0.364 1.306 0.352) 1.401 9.617 ( 0.303 -0.927 0.442) 1.071 9.632 ( 0.622 0.675 -0.332) 0.976 10.122 ( 0.158 -1.238 1.350) 1.838 10.191 ( -1.347 -0.034 -1.150) 1.772 10.293 ( 1.176 1.485 -0.481) 1.954 10.351 ( 0.563 1.399 0.129) 1.514======================= Grid point 4 (5/189) =======================q-point: ( 0.31 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.552 ( 1.781 -2.084 0.973) 2.909 0.628 ( -1.112 -0.004 -2.482) 2.720 0.787 ( 1.700 -4.528 0.362) 4.850 0.947 ( 1.659 -1.779 1.505) 2.861 1.107 ( 3.841 -0.959 0.210) 3.965 1.209 ( 1.509 -3.656 0.696) 4.016 1.389 ( 0.409 -11.742 0.162) 11.750 1.458 ( -0.574 -4.196 0.659) 4.286 1.849 ( -1.193 1.204 -1.474) 2.247 2.039 ( -4.163 0.813 -1.183) 4.403 2.204 ( -0.123 1.473 -1.170) 1.885 2.253 ( -2.454 -0.276 2.449) 3.477 2.417 ( -0.434 -2.892 1.035) 3.102 2.465 ( -0.648 -5.677 1.172) 5.833 2.542 ( 0.068 -1.656 -3.480) 3.855 3.112 ( -0.491 -0.340 0.943) 1.117 3.349 ( -1.412 -3.937 -0.141) 4.185 3.652 ( 1.597 1.277 -0.205) 2.055 3.817 ( -2.061 0.440 0.010) 2.107 4.322 ( 0.646 -4.287 -0.274) 4.344 4.594 ( -5.006 -3.201 7.382) 9.476 4.660 ( 0.381 -5.224 -2.241) 5.697 4.742 ( 3.870 -0.151 -5.445) 6.682 5.364 ( 0.467 -4.216 0.689) 4.297 5.636 ( -0.637 0.284 0.360) 0.785 5.696 ( 1.464 -0.983 0.764) 1.922 5.772 ( -0.816 -0.554 -1.436) 1.742 5.881 ( 0.033 -1.054 0.285) 1.092 8.993 ( -0.179 -0.307 0.120) 0.375 9.028 ( -0.221 1.096 0.257) 1.147 9.623 ( 0.516 0.591 -0.170) 0.803 9.639 ( 0.361 -1.043 0.409) 1.177 10.145 ( -0.122 -0.797 0.885) 1.197 10.174 ( -1.016 0.542 -1.141) 1.621 10.272 ( 0.770 1.218 -0.027) 1.442 10.335 ( 0.781 0.833 -0.076) 1.144======================= Grid point 5 (6/189) =======================q-point: ( 0.38 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.581 ( 0.442 0.117 -0.619) 0.769 0.609 ( -0.504 0.363 -0.142) 0.637 0.856 ( 1.558 -1.710 -0.690) 2.414 0.992 ( 0.667 -2.164 1.455) 2.691 1.163 ( 3.992 -1.932 0.065) 4.435 1.268 ( 1.609 -1.899 1.204) 2.765 1.503 ( -2.249 -0.808 1.538) 2.842 1.617 ( 0.691 -11.483 -1.618) 11.617 1.831 ( -0.835 -0.242 -0.812) 1.190 1.998 ( -2.875 0.358 -2.030) 3.538 2.182 ( 2.648 1.816 -5.512) 6.379 2.204 ( -5.211 2.476 7.596) 9.538 2.491 ( 0.051 -3.817 0.553) 3.857 2.542 ( -2.134 -2.498 2.410) 4.075 2.574 ( 2.086 -2.331 -4.161) 5.206 3.114 ( -0.438 0.040 0.794) 0.907 3.408 ( -0.650 -2.845 0.477) 2.957 3.642 ( 1.837 0.655 -1.000) 2.192 3.790 ( -2.175 0.985 0.268) 2.402 4.410 ( 1.738 -4.424 -0.862) 4.831 4.604 ( -6.761 -0.140 9.489) 11.652 4.715 ( 4.706 0.862 -8.952) 10.150 4.784 ( 0.279 -4.462 -0.155) 4.473 5.438 ( 0.581 -2.953 0.694) 3.089 5.620 ( -0.669 1.015 0.423) 1.287 5.726 ( 1.215 -0.967 0.675) 1.694 5.771 ( -0.835 -0.355 -1.247) 1.542 5.909 ( 0.132 -1.546 0.101) 1.555 8.995 ( -0.123 0.136 0.078) 0.199 9.014 ( -0.013 0.280 0.150) 0.318 9.616 ( 0.346 0.377 -0.051) 0.515 9.661 ( 0.288 -0.836 0.301) 0.934 10.144 ( -0.674 0.597 -1.017) 1.358 10.166 ( -0.212 -0.194 0.704) 0.760 10.257 ( 0.430 0.785 0.135) 0.905 10.328 ( 0.662 0.333 -0.166) 0.759======================= Grid point 6 (7/189) =======================q-point: ( 0.46 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.562 ( -0.276 0.714 -0.625) 0.989 0.612 ( 0.194 -0.122 0.406) 0.466 0.877 ( 0.487 -0.325 -0.273) 0.646 1.035 ( 0.477 -1.203 0.334) 1.337 1.211 ( 1.358 -1.011 0.314) 1.722 1.311 ( 1.561 -1.084 0.373) 1.936 1.482 ( -1.997 1.023 0.619) 2.328 1.794 ( 1.125 -6.569 -2.523) 7.126 1.834 ( -0.964 -0.312 1.151) 1.533 1.979 ( -1.090 -0.032 -0.656) 1.272 2.099 ( 0.068 4.241 -0.212) 4.247 2.201 ( -1.106 -0.641 1.237) 1.779 2.545 ( 0.076 -1.497 0.435) 1.561 2.564 ( -0.694 -0.639 0.191) 0.963 2.606 ( 0.722 -0.830 -1.113) 1.565 3.113 ( -0.171 0.042 0.316) 0.362 3.444 ( -0.192 -1.009 0.405) 1.103 3.642 ( 0.989 0.100 -0.778) 1.262 3.763 ( -1.104 0.620 0.285) 1.298 4.497 ( 2.942 -3.520 -2.188) 5.082 4.580 ( -5.526 1.530 6.540) 8.697 4.692 ( 2.425 0.919 -4.321) 5.040 4.847 ( 0.178 -1.787 -0.218) 1.809 5.481 ( 0.289 -1.076 0.248) 1.142 5.601 ( -0.332 0.547 0.252) 0.688 5.747 ( 0.583 -0.346 0.365) 0.769 5.768 ( -0.477 -0.139 -0.621) 0.795 5.932 ( 0.078 -0.706 0.019) 0.711 8.990 ( -0.042 0.191 0.025) 0.197 9.014 ( 0.027 -0.079 0.049) 0.096 9.613 ( 0.123 0.124 -0.005) 0.175 9.674 ( 0.110 -0.322 0.110) 0.358 10.128 ( -0.268 0.338 -0.440) 0.616 10.169 ( -0.067 -0.068 0.308) 0.322 10.250 ( 0.133 0.263 0.070) 0.303 10.327 ( 0.253 0.079 -0.077) 0.276======================= Grid point 14 (8/189) =======================q-point: ( 0.08 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.120 ( 5.640 -0.000 7.468) 9.358 0.131 ( 6.574 -0.000 7.342) 9.855 0.204 ( 11.817 -0.000 8.170) 14.366 0.699 ( 0.219 -0.000 -4.536) 4.541 0.799 ( 3.509 -0.000 1.564) 3.841 0.891 ( 1.006 -0.000 -1.813) 2.074 1.246 ( -0.125 0.000 0.500) 0.516 1.544 ( -4.778 0.000 9.206) 10.372 1.724 ( -0.230 0.000 -0.396) 0.458 1.766 ( -0.856 0.000 0.717) 1.116 2.121 ( -1.696 0.000 0.676) 1.826 2.304 ( -3.423 0.000 -0.462) 3.454 2.336 ( -1.611 0.000 3.422) 3.782 2.338 ( 1.120 -0.000 -1.734) 2.064 2.572 ( -1.969 0.000 0.375) 2.004 3.046 ( -0.427 0.000 -0.257) 0.499 3.263 ( -3.982 0.000 -0.975) 4.099 3.662 ( 1.055 -0.000 2.216) 2.455 3.807 ( -0.046 0.000 -0.618) 0.620 4.012 ( -1.748 0.000 2.945) 3.424 4.099 ( -0.649 0.000 -0.148) 0.666 4.462 ( 0.672 -0.000 -0.506) 0.841 4.706 ( 1.271 -0.000 0.874) 1.542 5.025 ( 0.462 -0.000 -0.102) 0.473 5.611 ( -0.787 0.000 0.881) 1.181 5.662 ( 1.319 -0.000 -0.111) 1.324 5.764 ( -0.708 0.000 -1.036) 1.255 5.895 ( 0.993 -0.000 -1.373) 1.695 8.975 ( -0.209 0.000 -0.030) 0.211 9.098 ( -0.410 0.000 0.079) 0.418 9.589 ( -0.029 0.000 0.497) 0.498 9.653 ( 0.736 -0.000 -0.526) 0.904 10.097 ( -5.303 0.000 11.372) 12.547 10.125 ( 0.014 -0.000 -1.028) 1.029 10.389 ( 4.625 -0.000 -8.047) 9.282 10.411 ( -0.097 0.000 0.288) 0.304======================= Grid point 15 (9/189) =======================q-point: ( 0.15 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.271 ( 4.447 -6.089 6.853) 10.190 0.303 ( 5.165 -8.340 2.984) 10.254 0.428 ( 4.934 -13.013 5.115) 14.827 0.690 ( 0.699 -0.783 -5.021) 5.129 0.828 ( 4.247 -0.298 -0.500) 4.287 0.942 ( 1.929 -4.395 -1.451) 5.014 1.236 ( -0.599 0.817 1.487) 1.799 1.452 ( 0.576 5.431 4.460) 7.051 1.787 ( 0.379 -5.934 -2.280) 6.368 1.867 ( -3.629 -7.276 2.009) 8.375 2.111 ( -2.719 -0.136 0.605) 2.789 2.247 ( -2.596 2.601 -2.717) 4.570 2.336 ( -0.992 0.454 1.205) 1.625 2.389 ( -2.661 -3.137 -0.484) 4.142 2.544 ( -2.335 1.264 0.100) 2.658 3.049 ( -0.439 -0.826 -0.352) 0.999 3.230 ( -5.101 -0.176 -1.111) 5.224 3.708 ( -0.639 -1.064 1.571) 2.002 3.812 ( -0.934 -0.623 -0.067) 1.125 4.072 ( 0.933 -6.739 -0.091) 6.804 4.117 ( -1.331 -2.368 0.752) 2.819 4.515 ( -1.279 -3.734 -0.944) 4.058 4.717 ( 2.373 0.176 0.148) 2.384 5.093 ( -1.673 -5.059 -0.724) 5.377 5.612 ( -0.689 -0.269 0.926) 1.185 5.669 ( 1.505 0.119 0.146) 1.517 5.757 ( -0.872 -0.186 -1.398) 1.658 5.890 ( 0.477 0.587 -0.057) 0.758 8.976 ( -0.335 -0.239 0.016) 0.412 9.091 ( -0.620 0.558 0.383) 0.918 9.594 ( 0.040 -0.317 0.620) 0.698 9.654 ( 0.989 0.345 -0.697) 1.259 10.088 ( 0.049 -0.004 3.300) 3.301 10.157 ( -2.929 -1.952 0.270) 3.530 10.361 ( 3.334 2.245 -2.795) 4.896 10.403 ( 0.153 0.944 0.346) 1.017======================= Grid point 16 (10/189) =======================q-point: ( 0.23 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.420 ( 5.140 -4.683 3.641) 7.849 0.491 ( 3.122 -7.728 1.066) 8.402 0.641 ( -2.102 -3.950 1.897) 4.860 0.782 ( 3.421 -12.030 -1.696) 12.621 0.870 ( 4.937 -1.603 -1.317) 5.355 1.045 ( 3.090 -4.880 -1.234) 5.907 1.229 ( -0.616 -0.120 2.068) 2.161 1.388 ( 0.617 2.724 2.224) 3.570 1.877 ( -1.180 -2.934 -1.485) 3.493 1.993 ( -3.008 -6.729 1.778) 7.582 2.095 ( -3.984 -0.927 -0.100) 4.091 2.211 ( -0.959 -2.024 -1.777) 2.859 2.313 ( -1.399 1.220 0.838) 2.036 2.413 ( -1.059 -1.016 -1.113) 1.842 2.508 ( -2.493 0.633 -0.337) 2.594 3.070 ( -0.567 -1.607 0.120) 1.708 3.215 ( -4.818 -2.154 -1.094) 5.390 3.707 ( 0.790 1.157 1.035) 1.742 3.814 ( -1.762 -0.428 0.232) 1.828 4.170 ( -0.739 -3.684 0.021) 3.757 4.248 ( 0.407 -10.738 0.183) 10.747 4.567 ( -2.585 -2.968 1.180) 4.109 4.731 ( 3.691 0.014 -1.946) 4.173 5.180 ( -0.721 -5.282 -0.192) 5.335 5.619 ( -0.370 -0.590 0.637) 0.943 5.679 ( 1.503 -0.048 0.641) 1.635 5.752 ( -0.860 -0.413 -1.642) 1.899 5.880 ( 0.037 0.643 0.354) 0.735 8.979 ( -0.413 -0.366 0.069) 0.556 9.073 ( -0.658 1.042 0.553) 1.351 9.605 ( 0.179 -0.655 0.630) 0.927 9.648 ( 1.022 0.629 -0.663) 1.371 10.109 ( 0.406 -0.877 2.001) 2.222 10.167 ( -2.168 -0.997 -0.964) 2.573 10.333 ( 2.135 1.933 -1.114) 3.088 10.383 ( 0.493 1.461 0.350) 1.581======================= Grid point 17 (11/189) =======================q-point: ( 0.31 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.526 ( 3.750 -2.771 1.505) 4.899 0.599 ( 0.663 -2.132 -2.673) 3.483 0.708 ( 0.681 -5.085 2.603) 5.753 0.933 ( 4.275 -2.034 -0.973) 4.833 1.035 ( 0.030 -11.127 1.430) 11.219 1.140 ( 5.330 -3.395 -1.604) 6.519 1.257 ( -0.056 -2.923 1.884) 3.477 1.388 ( -0.159 -2.177 1.305) 2.543 1.864 ( -1.692 1.573 -1.973) 3.039 2.016 ( -5.691 0.065 0.190) 5.694 2.170 ( -1.638 -6.712 0.529) 6.930 2.233 ( -1.056 1.517 0.536) 1.925 2.341 ( -0.643 -6.136 0.081) 6.170 2.408 ( -0.396 0.490 0.003) 0.630 2.498 ( -1.410 -1.333 -2.070) 2.838 3.093 ( -1.574 -1.226 0.618) 2.089 3.252 ( -2.969 -4.621 -0.754) 5.545 3.690 ( 1.783 1.597 0.212) 2.403 3.807 ( -2.369 -0.046 0.350) 2.395 4.242 ( -0.303 -4.331 0.129) 4.343 4.451 ( -0.324 -10.109 0.762) 10.143 4.600 ( -3.169 -1.874 3.040) 4.775 4.747 ( 4.191 -0.096 -4.428) 6.098 5.278 ( 0.085 -5.272 0.383) 5.287 5.631 ( -0.261 -0.524 0.298) 0.657 5.695 ( 1.465 -0.419 1.013) 1.830 5.751 ( -0.739 -0.610 -1.681) 1.934 5.872 ( -0.196 0.071 0.378) 0.432 8.985 ( -0.351 -0.436 0.087) 0.566 9.049 ( -0.542 1.220 0.478) 1.418 9.624 ( 0.246 -0.942 0.562) 1.124 9.639 ( 0.874 0.749 -0.457) 1.239 10.133 ( 0.259 -0.874 1.167) 1.481 10.164 ( -1.672 -0.385 -1.074) 2.024 10.307 ( 1.531 1.758 -0.411) 2.367 10.361 ( 0.752 1.373 0.152) 1.573======================= Grid point 18 (12/189) =======================q-point: ( 0.38 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.575 ( 0.806 -0.711 -1.266) 1.661 0.610 ( 0.669 -0.200 0.013) 0.698 0.821 ( 3.048 -4.174 0.723) 5.219 0.977 ( 2.070 -0.790 0.790) 2.352 1.150 ( 2.764 -2.264 -0.137) 3.576 1.239 ( 2.242 -3.045 1.136) 3.948 1.395 ( 0.406 -11.098 0.143) 11.106 1.454 ( -0.994 -3.678 0.969) 3.931 1.822 ( -1.324 0.686 -1.811) 2.346 1.975 ( -4.248 0.253 -1.702) 4.583 2.190 ( -2.236 1.377 1.131) 2.859 2.241 ( -1.159 -0.364 0.640) 1.372 2.421 ( -0.068 -2.951 0.991) 3.114 2.464 ( -0.977 -5.680 1.634) 5.990 2.521 ( 0.521 -2.473 -3.936) 4.677 3.101 ( -2.382 -0.796 0.722) 2.613 3.331 ( -1.135 -4.890 -0.010) 5.020 3.673 ( 2.355 1.465 -0.863) 2.905 3.788 ( -2.874 0.455 0.644) 2.980 4.328 ( 0.571 -4.807 -0.146) 4.843 4.581 ( -5.465 -2.366 8.758) 10.591 4.654 ( 2.054 -5.850 -4.671) 7.763 4.753 ( 3.283 0.261 -4.355) 5.460 5.374 ( 0.484 -4.452 0.734) 4.538 5.631 ( -0.508 0.415 0.247) 0.701 5.717 ( 0.847 -0.736 0.580) 1.263 5.755 ( -0.214 -0.662 -1.100) 1.301 5.882 ( -0.094 -1.137 0.179) 1.155 8.992 ( -0.179 -0.403 0.056) 0.445 9.026 ( -0.351 0.987 0.296) 1.089 9.629 ( 0.625 0.683 -0.199) 0.947 9.646 ( 0.204 -1.001 0.401) 1.098 10.142 ( -0.632 0.009 -1.374) 1.512 10.162 ( -0.457 -0.368 1.206) 1.342 10.284 ( 1.014 1.496 -0.022) 1.807 10.344 ( 0.789 0.917 -0.097) 1.214======================= Grid point 19 (13/189) =======================q-point: ( 0.46 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.565 ( -1.076 0.495 -1.830) 2.180 0.620 ( 1.347 0.231 0.996) 1.691 0.887 ( 3.722 -0.547 -0.160) 3.766 1.012 ( 1.223 -1.706 0.946) 2.302 1.199 ( 1.798 -1.404 -0.131) 2.284 1.296 ( 1.094 -1.681 1.139) 2.307 1.486 ( -1.911 -0.200 1.626) 2.517 1.614 ( 0.467 -11.296 -1.411) 11.393 1.816 ( -0.557 -0.942 -1.146) 1.585 1.956 ( -1.541 -0.891 -2.043) 2.710 2.173 ( -0.983 -0.522 -1.052) 1.532 2.191 ( -2.259 4.115 3.223) 5.694 2.496 ( 0.144 -3.784 0.474) 3.816 2.532 ( -1.239 -2.276 1.112) 2.820 2.573 ( 1.399 -2.916 -2.725) 4.229 3.101 ( -2.474 -0.636 0.616) 2.628 3.407 ( -0.130 -3.225 0.596) 3.283 3.660 ( 2.319 1.078 -1.647) 3.042 3.762 ( -2.835 0.513 0.826) 2.997 4.426 ( 1.739 -4.949 -0.790) 5.305 4.586 ( -5.682 0.402 8.413) 10.160 4.713 ( 3.922 0.411 -7.834) 8.770 4.791 ( 0.777 -3.950 0.038) 4.026 5.449 ( 0.575 -2.799 0.579) 2.915 5.614 ( -0.661 0.947 0.418) 1.228 5.730 ( -0.766 -0.704 -0.904) 1.378 5.768 ( 1.032 -0.461 0.405) 1.200 5.910 ( 0.061 -1.573 -0.004) 1.574 8.995 ( 0.008 0.116 0.002) 0.116 9.013 ( -0.234 0.178 0.129) 0.321 9.620 ( 0.387 0.509 -0.047) 0.641 9.665 ( 0.028 -0.754 0.199) 0.780 10.129 ( -0.549 0.253 -1.176) 1.322 10.170 ( 0.035 -0.110 1.072) 1.079 10.264 ( 0.507 1.061 0.113) 1.181 10.334 ( 0.513 0.511 -0.173) 0.745======================= Grid point 20 (14/189) =======================q-point: ( 0.54 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.549 ( -0.852 -0.250 -0.830) 1.216 0.621 ( 0.792 0.631 0.324) 1.063 0.900 ( 3.145 1.040 0.337) 3.330 1.044 ( 0.646 -0.356 0.107) 0.745 1.215 ( -0.743 0.178 -0.259) 0.806 1.313 ( -1.639 0.165 0.244) 1.665 1.480 ( 1.013 -0.162 0.605) 1.191 1.792 ( 0.746 -6.793 -1.882) 7.088 1.830 ( -0.661 -0.736 0.798) 1.271 1.972 ( 0.290 -1.303 -0.175) 1.346 2.100 ( 0.153 4.155 0.159) 4.161 2.190 ( -1.491 -1.505 0.383) 2.153 2.547 ( 0.006 -1.194 -0.222) 1.215 2.561 ( -0.073 -1.172 0.516) 1.283 2.608 ( 0.452 -0.715 -0.703) 1.100 3.100 ( -2.125 -0.665 0.206) 2.236 3.448 ( 0.316 -0.850 0.393) 0.989 3.649 ( 0.867 0.828 -0.683) 1.380 3.749 ( -1.258 -0.632 0.133) 1.414 4.519 ( 2.438 -2.607 -1.717) 3.961 4.558 ( -3.659 0.532 4.426) 5.767 4.695 ( 1.645 0.995 -2.525) 3.174 4.851 ( 0.453 -1.552 -0.003) 1.617 5.485 ( 0.304 -0.593 0.011) 0.666 5.599 ( -0.386 0.305 0.354) 0.605 5.732 ( -1.287 -0.592 -1.252) 1.891 5.782 ( 1.283 0.058 1.020) 1.640 5.933 ( 0.001 -0.642 -0.067) 0.645 8.991 ( 0.112 0.192 -0.028) 0.224 9.013 ( -0.215 -0.108 -0.007) 0.241 9.614 ( 0.140 0.288 0.006) 0.320 9.674 ( -0.175 -0.222 -0.020) 0.283 10.124 ( -0.038 -0.223 -0.358) 0.423 10.173 ( 0.205 0.170 0.439) 0.513 10.252 ( 0.132 0.495 0.070) 0.517 10.328 ( 0.051 0.291 -0.076) 0.305======================= Grid point 21 (15/189) =======================q-point: (-0.38 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.564 ( -0.358 -1.555 0.218) 1.610 0.611 ( 0.396 0.614 -0.360) 0.814 0.893 ( 2.260 1.857 0.952) 3.076 1.028 ( -0.141 1.952 -0.615) 2.052 1.176 ( -3.887 2.092 -0.723) 4.474 1.284 ( -1.867 1.225 -0.272) 2.249 1.509 ( 2.602 -0.997 -0.640) 2.859 1.796 ( -1.136 6.381 2.427) 6.921 1.838 ( 1.002 -0.152 -1.194) 1.566 2.004 ( 1.750 -1.314 1.112) 2.455 2.102 ( 0.294 -4.157 0.644) 4.216 2.201 ( 0.574 -0.209 -1.950) 2.044 2.541 ( 0.016 1.535 -0.542) 1.628 2.574 ( 1.174 0.342 -0.574) 1.351 2.604 ( -1.010 0.984 1.578) 2.116 3.101 ( -1.528 -0.715 -0.351) 1.723 3.447 ( 0.534 1.129 -0.328) 1.291 3.635 ( -0.884 0.505 0.715) 1.244 3.772 ( 0.721 -1.768 -0.386) 1.948 4.477 ( -2.304 3.657 1.702) 4.646 4.608 ( 6.241 -1.836 -7.393) 9.848 4.690 ( -3.312 -0.672 5.815) 6.726 4.849 ( 0.123 1.964 0.345) 1.998 5.475 ( -0.250 1.539 -0.393) 1.607 5.603 ( 0.226 -0.787 -0.134) 0.830 5.727 ( -1.266 0.075 -0.904) 1.557 5.788 ( 1.105 0.365 1.147) 1.634 5.931 ( -0.128 0.770 -0.094) 0.786 8.991 ( 0.198 -0.192 -0.056) 0.282 9.012 ( -0.259 0.050 -0.092) 0.279 9.612 ( -0.082 0.032 0.012) 0.089 9.670 ( -0.322 0.409 -0.193) 0.555 10.136 ( 0.425 -0.861 0.426) 1.051 10.170 ( 0.259 0.310 -0.147) 0.430 10.248 ( -0.095 -0.053 -0.062) 0.126 10.324 ( -0.384 0.117 0.069) 0.408======================= Grid point 22 (16/189) =======================q-point: (-0.31 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.572 ( -0.552 0.925 -0.378) 1.142 0.623 ( 0.757 -1.628 0.755) 1.948 0.858 ( 0.736 3.510 1.303) 3.816 0.977 ( -0.042 2.612 -1.871) 3.213 1.104 ( -5.097 1.894 -0.113) 5.439 1.246 ( -0.963 1.838 -0.751) 2.207 1.518 ( 1.512 1.582 -1.203) 2.497 1.618 ( -0.628 11.681 1.305) 11.771 1.845 ( 0.711 -0.312 0.434) 0.889 2.046 ( 2.750 -1.205 1.493) 3.353 2.185 ( -2.696 -1.842 5.736) 6.600 2.216 ( 4.452 -3.085 -7.217) 9.024 2.488 ( 0.046 3.793 -0.401) 3.814 2.551 ( 2.120 3.182 -3.231) 5.006 2.577 ( -1.929 1.327 4.580) 5.144 3.105 ( -0.864 -0.623 -0.706) 1.278 3.415 ( 0.671 2.495 -0.288) 2.599 3.628 ( -1.180 -0.336 0.570) 1.353 3.810 ( 1.303 -1.477 -0.095) 1.971 4.396 ( -1.231 4.078 0.632) 4.306 4.628 ( 6.609 0.626 -8.892) 11.097 4.712 ( -4.908 -1.167 8.590) 9.962 4.785 ( 0.096 4.805 0.229) 4.812 5.427 ( -0.480 3.091 -0.604) 3.185 5.625 ( 0.527 -1.119 -0.334) 1.281 5.706 ( -1.171 1.010 -0.572) 1.649 5.791 ( 0.830 0.426 1.085) 1.431 5.906 ( -0.152 1.545 -0.156) 1.560 8.997 ( 0.232 -0.058 -0.086) 0.254 9.012 ( -0.179 -0.470 -0.137) 0.521 9.613 ( -0.235 -0.262 0.041) 0.354 9.655 ( -0.358 0.887 -0.279) 0.997 10.156 ( 0.561 0.017 0.118) 0.574 10.167 ( 0.306 -0.567 0.242) 0.689 10.252 ( -0.243 -0.584 -0.139) 0.647 10.321 ( -0.613 -0.197 0.133) 0.657======================= Grid point 23 (17/189) =======================q-point: (-0.23 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.530 ( -0.823 2.975 -0.774) 3.183 0.656 ( 0.888 -0.366 1.858) 2.091 0.774 ( -0.381 5.506 0.003) 5.519 0.917 ( -1.449 2.996 -1.419) 3.618 1.064 ( -2.593 -0.413 -0.231) 2.636 1.192 ( -0.787 3.848 -0.239) 3.935 1.384 ( -0.257 12.207 -0.096) 12.210 1.460 ( 0.238 4.530 -0.373) 4.551 1.869 ( 0.704 -1.610 0.829) 1.943 2.086 ( 2.439 -0.746 0.455) 2.591 2.210 ( -0.569 -1.650 1.586) 2.358 2.267 ( 2.010 0.331 -2.062) 2.899 2.419 ( 0.608 2.482 -0.713) 2.653 2.464 ( 0.146 5.708 -0.565) 5.738 2.562 ( 0.230 0.995 2.049) 2.290 3.106 ( -0.316 -0.057 -0.674) 0.747 3.364 ( 0.855 3.218 0.125) 3.332 3.638 ( -0.771 -1.181 0.025) 1.410 3.837 ( 1.042 -0.493 0.081) 1.156 4.317 ( -0.416 3.942 0.202) 3.969 4.606 ( 2.797 4.390 -3.982) 6.554 4.675 ( 1.960 4.033 -0.818) 4.558 4.727 ( -4.027 0.702 5.036) 6.487 5.355 ( -0.304 3.988 -0.433) 4.023 5.642 ( 0.653 -0.322 -0.318) 0.795 5.676 ( -1.156 1.143 -0.338) 1.661 5.789 ( 0.570 0.530 0.912) 1.199 5.878 ( -0.092 1.049 -0.253) 1.083 8.994 ( 0.126 0.268 -0.096) 0.311 9.029 ( 0.086 -1.214 -0.154) 1.227 9.619 ( -0.288 -0.519 0.098) 0.601 9.633 ( -0.285 1.057 -0.262) 1.126 10.141 ( 0.104 1.170 -0.657) 1.345 10.192 ( 0.612 -0.910 0.854) 1.390 10.266 ( -0.359 -1.034 0.010) 1.094 10.327 ( -0.521 -0.801 0.043) 0.956======================= Grid point 24 (18/189) =======================q-point: (-0.15 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.441 ( -0.957 5.649 -0.782) 5.783 0.607 ( -0.362 7.406 0.663) 7.444 0.706 ( 0.583 0.590 0.252) 0.867 0.844 ( -1.646 3.214 -0.714) 3.681 1.016 ( -0.082 13.991 -0.579) 14.004 1.066 ( -1.511 0.482 0.808) 1.780 1.240 ( -0.012 2.641 -0.472) 2.683 1.376 ( -0.017 3.373 -0.389) 3.395 1.912 ( 0.467 -1.744 0.581) 1.896 2.097 ( 1.032 1.205 -0.155) 1.594 2.199 ( 0.543 5.555 -0.036) 5.581 2.243 ( 0.198 -0.943 -0.149) 0.974 2.353 ( 0.315 4.708 0.029) 4.719 2.423 ( 0.343 -1.265 0.024) 1.310 2.557 ( 0.839 0.337 0.666) 1.123 3.096 ( -0.021 0.890 -0.316) 0.944 3.314 ( 0.829 2.526 0.242) 2.670 3.663 ( -0.228 -1.820 -0.159) 1.842 3.843 ( 0.505 0.316 0.017) 0.596 4.245 ( 0.001 3.670 0.050) 3.670 4.450 ( 0.023 10.686 -0.073) 10.686 4.657 ( 5.573 1.222 -5.273) 7.769 4.692 ( -5.576 1.358 5.524) 7.965 5.276 ( 0.067 4.165 -0.078) 4.167 5.639 ( 0.733 0.907 -0.325) 1.211 5.654 ( -1.025 0.228 -0.035) 1.050 5.784 ( 0.328 0.503 0.543) 0.810 5.867 ( -0.079 -0.002 -0.206) 0.220 8.990 ( 0.104 0.281 -0.055) 0.305 9.054 ( 0.124 -1.362 -0.132) 1.374 9.612 ( -0.139 0.917 -0.169) 0.942 9.629 ( -0.224 -0.633 0.122) 0.682 10.114 ( -0.065 1.511 -0.535) 1.604 10.209 ( 0.563 -0.276 0.404) 0.746 10.285 ( -0.480 -1.191 0.246) 1.308 10.346 ( -0.205 -1.464 -0.053) 1.480======================= Grid point 25 (19/189) =======================q-point: (-0.08 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.309 ( 0.000 7.592 -0.000) 7.592 0.436 ( 0.000 10.224 -0.000) 10.224 0.686 ( 0.000 16.419 -0.000) 16.419 0.709 ( -0.000 -0.060 0.000) 0.060 0.814 ( 0.000 2.895 -0.000) 2.895 1.018 ( 0.000 4.229 -0.000) 4.229 1.223 ( -0.000 -0.212 0.000) 0.212 1.357 ( -0.000 -1.259 0.000) 1.259 1.903 ( 0.000 3.816 -0.000) 3.816 2.020 ( 0.000 6.622 -0.000) 6.622 2.140 ( 0.000 1.040 -0.000) 1.040 2.239 ( -0.000 -0.520 0.000) 0.520 2.329 ( -0.000 -0.802 0.000) 0.802 2.444 ( -0.000 -0.575 0.000) 0.575 2.564 ( -0.000 -0.547 0.000) 0.547 3.074 ( 0.000 1.268 -0.000) 1.268 3.287 ( 0.000 0.749 -0.000) 0.749 3.700 ( -0.000 -2.177 0.000) 2.177 3.834 ( 0.000 0.725 -0.000) 0.725 4.180 ( 0.000 3.263 -0.000) 3.263 4.238 ( 0.000 11.387 -0.000) 11.387 4.613 ( 0.000 3.629 -0.000) 3.629 4.682 ( -0.000 -0.587 0.000) 0.587 5.204 ( 0.000 3.492 -0.000) 3.492 5.626 ( 0.000 0.631 -0.000) 0.631 5.650 ( -0.000 -0.015 0.000) 0.015 5.778 ( 0.000 0.345 -0.000) 0.345 5.872 ( -0.000 -0.477 0.000) 0.477 8.984 ( 0.000 0.313 -0.000) 0.313 9.078 ( -0.000 -1.137 0.000) 1.137 9.597 ( 0.000 0.584 -0.000) 0.584 9.639 ( -0.000 -0.549 0.000) 0.549 10.084 ( 0.000 1.426 -0.000) 1.426 10.213 ( 0.000 0.048 -0.000) 0.048 10.304 ( -0.000 -0.958 0.000) 0.958 10.375 ( -0.000 -1.610 0.000) 1.610======================= Grid point 28 (20/189) =======================q-point: ( 0.15 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.233 ( 4.744 -0.000 7.503) 8.877 0.255 ( 6.132 -0.000 6.482) 8.923 0.391 ( 10.048 -0.000 7.470) 12.521 0.667 ( -0.092 0.000 -5.547) 5.548 0.865 ( 6.124 -0.000 0.139) 6.126 0.896 ( 2.490 -0.000 -3.107) 3.982 1.248 ( -0.323 0.000 0.989) 1.040 1.545 ( -2.445 0.000 4.798) 5.385 1.715 ( -0.597 0.000 -0.651) 0.883 1.758 ( -1.426 0.000 1.060) 1.776 2.092 ( -4.207 0.000 1.056) 4.338 2.242 ( -4.893 0.000 -2.342) 5.424 2.338 ( -1.471 0.000 2.900) 3.251 2.341 ( 0.884 -0.000 -1.263) 1.542 2.548 ( -1.953 0.000 0.662) 2.062 3.036 ( -0.738 0.000 -0.480) 0.881 3.187 ( -6.709 0.000 -1.614) 6.901 3.698 ( 1.712 -0.000 3.462) 3.862 3.799 ( -0.738 0.000 -0.609) 0.957 4.009 ( -0.890 0.000 1.345) 1.613 4.087 ( -0.768 0.000 -0.787) 1.099 4.468 ( 0.946 -0.000 -0.834) 1.261 4.735 ( 2.425 -0.000 0.850) 2.570 5.032 ( 0.643 -0.000 -0.165) 0.664 5.609 ( -0.550 0.000 1.072) 1.204 5.681 ( 1.605 -0.000 0.248) 1.624 5.744 ( -0.974 0.000 -1.650) 1.916 5.898 ( 0.292 -0.000 -0.238) 0.377 8.971 ( -0.379 0.000 -0.051) 0.383 9.092 ( -0.660 0.000 0.273) 0.714 9.593 ( -0.084 0.000 0.853) 0.857 9.661 ( 1.292 -0.000 -0.919) 1.586 10.108 ( -2.046 0.000 6.132) 6.465 10.113 ( -0.336 0.000 -1.932) 1.961 10.396 ( 2.408 -0.000 -3.224) 4.024 10.413 ( 0.127 -0.000 0.483) 0.500======================= Grid point 29 (21/189) =======================q-point: ( 0.23 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.366 ( 2.916 -6.163 8.327) 10.762 0.388 ( 5.821 -6.502 1.641) 8.879 0.532 ( 5.128 -6.597 6.362) 10.502 0.662 ( 0.627 -2.190 -5.867) 6.294 0.880 ( 5.491 0.079 -2.798) 6.164 0.971 ( 4.398 -4.446 -1.109) 6.351 1.239 ( -0.599 0.762 1.673) 1.934 1.478 ( -0.529 4.958 3.703) 6.211 1.774 ( 0.587 -5.605 -3.506) 6.637 1.839 ( -4.018 -7.370 3.871) 9.244 2.065 ( -5.536 0.042 0.507) 5.559 2.186 ( -3.735 1.191 -3.558) 5.294 2.331 ( -1.822 0.827 2.627) 3.302 2.366 ( -0.641 -2.146 -0.898) 2.413 2.523 ( -1.036 1.633 0.413) 1.978 3.039 ( -0.651 -1.048 -0.501) 1.331 3.145 ( -6.972 -0.910 -1.540) 7.198 3.727 ( 1.216 -0.161 2.438) 2.729 3.795 ( -1.586 -0.402 -0.148) 1.643 4.078 ( -0.772 -7.090 1.921) 7.386 4.104 ( -0.104 -2.503 -1.854) 3.116 4.501 ( -0.285 -2.738 -0.677) 2.834 4.752 ( 2.863 0.223 0.298) 2.887 5.080 ( -0.162 -4.330 -0.271) 4.342 5.612 ( -0.265 -0.255 0.847) 0.923 5.691 ( 1.570 0.077 0.608) 1.685 5.735 ( -0.897 -0.230 -1.795) 2.020 5.893 ( -0.008 0.550 0.122) 0.563 8.971 ( -0.459 -0.240 -0.021) 0.519 9.085 ( -0.772 0.500 0.546) 1.070 9.598 ( -0.042 -0.377 0.849) 0.929 9.663 ( 1.378 0.394 -0.960) 1.725 10.105 ( 0.178 -0.357 0.497) 0.637 10.129 ( -2.110 -1.130 1.479) 2.814 10.379 ( 2.172 1.836 -1.587) 3.257 10.410 ( 0.463 0.820 0.434) 1.036======================= Grid point 30 (22/189) =======================q-point: ( 0.31 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.504 ( 4.388 -3.399 2.727) 6.184 0.535 ( 3.147 -5.461 0.694) 6.341 0.638 ( -0.621 -3.015 2.813) 4.170 0.807 ( 2.230 -11.951 -1.212) 12.218 0.922 ( 5.315 -1.856 -2.519) 6.167 1.086 ( 4.556 -4.960 -0.918) 6.797 1.236 ( -0.534 -0.367 2.091) 2.189 1.408 ( 0.339 3.116 2.056) 3.748 1.849 ( -1.668 -2.195 -1.403) 3.093 1.959 ( -4.934 -4.391 2.219) 6.967 2.039 ( -4.431 -3.395 -0.166) 5.584 2.186 ( -0.703 -4.539 -2.923) 5.444 2.299 ( -2.597 1.834 2.155) 3.841 2.395 ( -0.543 -1.638 -1.446) 2.251 2.488 ( -0.545 1.462 0.199) 1.573 3.058 ( -1.607 -1.324 -0.181) 2.090 3.143 ( -5.082 -3.816 -1.176) 6.463 3.729 ( 1.884 1.179 0.327) 2.247 3.791 ( -2.484 -0.259 1.023) 2.699 4.160 ( -1.251 -3.990 0.727) 4.244 4.254 ( 0.560 -10.598 -0.468) 10.624 4.548 ( -1.590 -2.688 0.733) 3.208 4.764 ( 3.295 0.355 -1.369) 3.586 5.174 ( -0.169 -5.646 0.011) 5.648 5.621 ( 0.015 -0.516 0.400) 0.653 5.703 ( 1.437 -0.081 1.015) 1.761 5.731 ( -0.667 -0.494 -1.772) 1.957 5.880 ( -0.324 0.683 0.308) 0.816 8.974 ( -0.478 -0.417 0.012) 0.635 9.068 ( -0.763 0.975 0.668) 1.407 9.611 ( 0.058 -0.710 0.711) 1.006 9.658 ( 1.216 0.712 -0.782) 1.611 10.119 ( -0.140 -1.003 -1.384) 1.715 10.140 ( -1.454 -0.754 1.908) 2.515 10.352 ( 1.943 2.006 -0.722) 2.885 10.393 ( 0.677 1.414 0.386) 1.614======================= Grid point 31 (23/189) =======================q-point: ( 0.38 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.559 ( 0.727 -0.969 -1.841) 2.204 0.612 ( 3.087 -1.164 1.170) 3.500 0.744 ( 1.937 -5.986 3.017) 6.978 0.976 ( 4.845 -1.851 -2.831) 5.909 1.043 ( -0.305 -10.418 1.401) 10.516 1.195 ( 4.493 -3.813 -1.184) 6.011 1.269 ( -0.068 -3.089 1.985) 3.673 1.394 ( -0.105 -1.334 1.273) 1.847 1.829 ( -1.767 1.444 -1.809) 2.912 1.942 ( -6.138 -0.184 0.057) 6.141 2.155 ( -1.542 -7.213 0.817) 7.421 2.220 ( -1.544 2.406 0.482) 2.899 2.330 ( -1.008 -7.702 -0.217) 7.771 2.406 ( -0.008 -0.075 -0.211) 0.224 2.475 ( -0.362 -0.878 -1.264) 1.581 3.063 ( -3.512 -1.211 0.049) 3.715 3.216 ( -1.910 -6.052 -0.484) 6.365 3.715 ( 2.602 1.580 -1.361) 3.335 3.779 ( -3.049 0.194 1.901) 3.598 4.238 ( -0.547 -4.784 0.387) 4.831 4.453 ( -0.509 -9.877 1.252) 9.969 4.584 ( -1.627 -2.085 1.153) 2.885 4.769 ( 3.313 0.510 -3.064) 4.542 5.283 ( 0.168 -5.681 0.420) 5.699 5.631 ( 0.022 -0.291 0.058) 0.298 5.714 ( 0.290 -0.157 0.238) 0.407 5.738 ( 0.475 -0.890 -0.633) 1.191 5.871 ( -0.421 0.016 0.263) 0.496 8.981 ( -0.369 -0.550 0.007) 0.662 9.045 ( -0.589 1.146 0.505) 1.384 9.629 ( 0.057 -0.926 0.516) 1.062 9.647 ( 0.920 0.831 -0.468) 1.325 10.125 ( -1.002 -0.683 -2.282) 2.584 10.155 ( -0.229 -0.627 2.290) 2.385 10.324 ( 1.524 1.966 -0.263) 2.501 10.371 ( 0.765 1.417 0.137) 1.616======================= Grid point 32 (24/189) =======================q-point: ( 0.46 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.558 ( -0.827 0.075 -2.042) 2.205 0.641 ( 2.421 0.219 1.379) 2.795 0.869 ( 3.660 -4.357 1.223) 5.820 1.009 ( 2.975 -0.116 -0.384) 3.002 1.173 ( 1.180 -3.132 -0.095) 3.348 1.270 ( 1.243 -2.171 0.642) 2.583 1.400 ( 0.278 -10.424 0.035) 10.428 1.449 ( -0.913 -3.194 1.498) 3.644 1.796 ( -1.016 0.150 -1.780) 2.055 1.920 ( -2.686 -0.955 -1.933) 3.444 2.164 ( -3.897 1.488 2.675) 4.956 2.233 ( -0.059 -0.605 -0.806) 1.009 2.427 ( 0.105 -2.924 0.606) 2.988 2.463 ( -0.898 -5.671 1.903) 6.049 2.505 ( 0.699 -3.039 -3.512) 4.697 3.064 ( -3.819 -1.251 0.318) 4.031 3.323 ( -0.391 -5.683 0.122) 5.697 3.696 ( 3.012 1.579 -2.634) 4.302 3.758 ( -3.454 0.660 2.463) 4.293 4.334 ( 0.294 -5.369 0.089) 5.378 4.574 ( -4.771 -1.802 8.570) 9.973 4.648 ( 2.679 -6.056 -6.273) 9.121 4.767 ( 2.621 0.359 -2.540) 3.667 5.384 ( 0.403 -4.652 0.626) 4.712 5.627 ( -0.252 0.611 0.044) 0.662 5.714 ( -0.846 -0.190 -0.788) 1.171 5.763 ( 1.281 -0.984 0.515) 1.695 5.881 ( -0.181 -1.278 0.061) 1.293 8.990 ( -0.167 -0.539 -0.040) 0.566 9.024 ( -0.384 0.933 0.275) 1.045 9.635 ( 0.593 0.756 -0.182) 0.978 9.649 ( -0.032 -0.910 0.286) 0.954 10.121 ( -0.824 -0.233 -1.710) 1.913 10.171 ( 0.110 -0.344 1.696) 1.734 10.296 ( 0.954 1.782 -0.004) 2.021 10.352 ( 0.646 1.055 -0.107) 1.241======================= Grid point 33 (25/189) =======================q-point: ( 0.54 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.540 ( -1.107 0.318 -1.420) 1.829 0.645 ( 1.489 0.923 0.831) 1.939 0.942 ( 5.010 -0.179 0.319) 5.023 1.034 ( 1.562 -1.101 0.285) 1.932 1.208 ( 0.025 -0.586 -0.295) 0.657 1.298 ( -1.681 -0.782 0.613) 1.953 1.484 ( 0.019 -0.555 1.641) 1.732 1.610 ( 0.222 -11.157 -0.994) 11.203 1.804 ( -0.192 -1.570 -1.112) 1.933 1.936 ( 0.431 -2.165 -1.947) 2.943 2.146 ( -3.943 -1.259 2.444) 4.806 2.189 ( 0.225 4.187 -0.431) 4.215 2.500 ( 0.130 -3.655 0.143) 3.660 2.527 ( -0.483 -2.305 0.688) 2.454 2.572 ( 0.791 -3.294 -1.703) 3.792 3.066 ( -3.446 -1.178 0.384) 3.662 3.412 ( 0.282 -3.533 0.534) 3.584 3.677 ( 2.711 1.440 -2.753) 4.123 3.733 ( -3.203 0.262 2.068) 3.821 4.441 ( 1.244 -5.534 -0.451) 5.690 4.573 ( -3.956 0.971 6.053) 7.296 4.711 ( 2.812 -0.282 -5.698) 6.361 4.803 ( 1.022 -3.344 0.180) 3.501 5.459 ( 0.485 -2.667 0.376) 2.737 5.609 ( -0.490 0.935 0.321) 1.103 5.710 ( -1.132 -0.428 -1.129) 1.655 5.788 ( 1.200 -0.577 0.776) 1.541 5.910 ( -0.001 -1.605 -0.075) 1.607 8.995 ( 0.125 0.002 -0.093) 0.155 9.010 ( -0.377 0.190 0.115) 0.438 9.625 ( 0.346 0.628 -0.030) 0.718 9.664 ( -0.198 -0.657 0.071) 0.690 10.117 ( -0.354 -0.236 -0.946) 1.037 10.179 ( 0.260 0.068 1.039) 1.074 10.271 ( 0.433 1.325 0.085) 1.396 10.338 ( 0.303 0.705 -0.159) 0.783======================= Grid point 34 (26/189) =======================q-point: ( 0.62 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.534 ( -0.812 -0.858 -0.668) 1.357 0.633 ( 0.794 1.232 0.204) 1.480 0.955 ( 4.932 1.875 0.770) 5.332 1.052 ( 0.627 0.387 -0.171) 0.757 1.187 ( -3.456 1.703 -0.771) 3.929 1.288 ( -1.985 0.394 0.309) 2.047 1.504 ( 1.933 -0.839 0.391) 2.143 1.789 ( 0.341 -6.982 -1.047) 7.068 1.828 ( -0.352 -1.059 0.437) 1.199 1.983 ( 1.391 -2.095 0.045) 2.515 2.104 ( 0.107 3.754 0.616) 3.806 2.170 ( -1.630 -2.235 -0.430) 2.800 2.544 ( 0.014 -1.023 -0.393) 1.096 2.566 ( 0.211 -1.541 0.496) 1.633 2.608 ( 0.234 -0.647 -0.377) 0.784 3.069 ( -2.629 -1.174 0.112) 2.881 3.455 ( 0.444 -0.700 0.265) 0.870 3.654 ( 0.581 1.517 -0.470) 1.691 3.736 ( -0.977 -1.676 0.054) 1.941 4.527 ( -0.941 1.711 1.261) 2.324 4.553 ( 0.573 -3.982 0.028) 4.023 4.699 ( 0.935 1.050 -1.090) 1.779 4.857 ( 0.514 -1.333 0.128) 1.434 5.488 ( 0.250 -0.162 -0.136) 0.328 5.596 ( -0.325 0.118 0.337) 0.483 5.710 ( -1.008 -0.616 -0.954) 1.519 5.802 ( 0.939 0.012 0.791) 1.228 5.932 ( -0.041 -0.583 -0.098) 0.592 8.993 ( 0.237 0.187 -0.058) 0.307 9.010 ( -0.363 -0.124 -0.029) 0.385 9.616 ( 0.121 0.426 0.013) 0.443 9.670 ( -0.290 -0.135 -0.087) 0.331 10.122 ( 0.085 -0.721 -0.223) 0.759 10.179 ( 0.314 0.376 0.401) 0.633 10.254 ( 0.102 0.687 0.057) 0.697 10.328 ( -0.080 0.478 -0.062) 0.489======================= Grid point 35 (27/189) =======================q-point: (-0.31 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.559 ( -0.372 -1.999 0.005) 2.033 0.615 ( 0.378 0.817 -0.214) 0.925 0.941 ( 3.988 3.159 1.510) 5.307 1.023 ( 0.240 2.474 -1.165) 2.745 1.112 ( -5.280 2.443 -0.579) 5.847 1.266 ( -0.868 1.102 -0.118) 1.407 1.532 ( 1.514 -0.503 -0.455) 1.659 1.798 ( -0.693 6.272 1.463) 6.478 1.842 ( 0.631 -0.507 -0.754) 1.106 2.030 ( 1.122 -2.341 0.834) 2.727 2.116 ( 0.804 -4.048 1.229) 4.306 2.191 ( -0.043 -0.841 -2.100) 2.262 2.539 ( 0.056 1.529 -0.333) 1.566 2.584 ( 1.310 0.048 -1.133) 1.733 2.602 ( -1.124 1.192 1.757) 2.402 3.078 ( -1.558 -1.160 -0.232) 1.956 3.451 ( 0.397 1.199 -0.194) 1.278 3.630 ( -0.526 0.891 0.442) 1.125 3.776 ( 0.343 -2.529 -0.282) 2.568 4.463 ( -1.236 3.669 0.890) 3.973 4.636 ( 5.633 -2.529 -6.878) 9.243 4.684 ( -3.871 0.072 6.116) 7.239 4.854 ( 0.214 2.052 0.268) 2.080 5.470 ( -0.164 1.893 -0.305) 1.924 5.605 ( 0.113 -0.968 -0.053) 0.976 5.709 ( -0.759 0.048 -0.511) 0.917 5.806 ( 0.646 0.349 0.676) 0.998 5.928 ( -0.101 0.823 -0.091) 0.834 8.994 ( 0.300 -0.226 -0.037) 0.378 9.008 ( -0.363 0.059 -0.082) 0.377 9.611 ( -0.035 0.146 0.012) 0.151 9.665 ( -0.275 0.465 -0.150) 0.561 10.143 ( 0.330 -1.273 0.276) 1.344 10.173 ( 0.224 0.527 -0.049) 0.575 10.247 ( -0.038 0.093 -0.043) 0.110 10.319 ( -0.304 0.261 0.044) 0.403======================= Grid point 36 (28/189) =======================q-point: (-0.23 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.566 ( -0.156 1.286 -0.188) 1.309 0.633 ( 0.241 -2.292 0.262) 2.320 0.883 ( 1.269 5.411 1.131) 5.672 0.967 ( 0.141 3.071 -1.516) 3.428 1.050 ( -2.939 0.914 0.148) 3.081 1.235 ( -0.329 1.824 -0.246) 1.870 1.525 ( 0.517 2.014 -0.461) 2.129 1.618 ( -0.250 11.813 0.498) 11.826 1.853 ( 0.272 -0.615 0.132) 0.685 2.078 ( 1.114 -1.600 0.463) 2.004 2.189 ( -1.373 -0.831 3.160) 3.544 2.221 ( 2.032 -4.451 -3.609) 6.080 2.487 ( 0.042 3.742 -0.142) 3.745 2.553 ( 0.708 3.640 -1.275) 3.921 2.583 ( -0.593 0.676 1.783) 1.997 3.091 ( -0.565 -0.963 -0.286) 1.153 3.419 ( 0.258 2.300 -0.096) 2.316 3.621 ( -0.404 -0.182 0.190) 0.482 3.821 ( 0.423 -1.772 -0.031) 1.822 4.388 ( -0.438 3.911 0.227) 3.942 4.648 ( 3.459 1.146 -4.629) 5.891 4.706 ( -2.794 -1.602 4.544) 5.570 4.788 ( 0.101 5.016 0.109) 5.018 5.419 ( -0.196 3.172 -0.246) 3.188 5.628 ( 0.215 -1.223 -0.134) 1.249 5.693 ( -0.465 1.084 -0.191) 1.195 5.803 ( 0.321 0.425 0.414) 0.674 5.903 ( -0.071 1.564 -0.081) 1.568 8.999 ( 0.184 0.174 -0.031) 0.255 9.009 ( -0.173 -0.770 -0.062) 0.791 9.611 ( -0.081 -0.194 0.016) 0.211 9.650 ( -0.161 0.911 -0.114) 0.932 10.160 ( 0.184 0.826 -0.154) 0.860 10.173 ( 0.180 -1.425 0.319) 1.471 10.250 ( -0.068 -0.493 -0.069) 0.502 10.316 ( -0.261 -0.120 0.054) 0.293======================= Grid point 37 (29/189) =======================q-point: (-0.15 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.522 ( 0.000 3.308 -0.000) 3.308 0.669 ( -0.000 -0.781 0.000) 0.781 0.773 ( 0.000 6.319 -0.000) 6.319 0.901 ( 0.000 3.494 -0.000) 3.494 1.046 ( -0.000 -1.071 0.000) 1.071 1.187 ( 0.000 3.888 -0.000) 3.888 1.382 ( 0.000 12.375 -0.000) 12.375 1.460 ( 0.000 4.644 -0.000) 4.644 1.876 ( -0.000 -1.769 0.000) 1.769 2.103 ( -0.000 -0.598 0.000) 0.598 2.212 ( -0.000 -1.736 0.000) 1.736 2.273 ( 0.000 0.397 -0.000) 0.397 2.421 ( 0.000 2.124 -0.000) 2.124 2.463 ( 0.000 5.810 -0.000) 5.810 2.571 ( 0.000 0.735 -0.000) 0.735 3.101 ( -0.000 -0.228 0.000) 0.228 3.370 ( 0.000 2.966 -0.000) 2.966 3.633 ( -0.000 -1.163 0.000) 1.163 3.843 ( -0.000 -0.520 0.000) 0.520 4.315 ( 0.000 3.825 -0.000) 3.825 4.610 ( 0.000 4.959 -0.000) 4.959 4.690 ( 0.000 3.559 -0.000) 3.559 4.713 ( 0.000 0.826 -0.000) 0.826 5.352 ( 0.000 3.888 -0.000) 3.888 5.646 ( -0.000 -0.587 0.000) 0.587 5.666 ( 0.000 1.440 -0.000) 1.440 5.796 ( 0.000 0.505 -0.000) 0.505 5.877 ( 0.000 1.068 -0.000) 1.068 8.995 ( 0.000 0.262 -0.000) 0.262 9.029 ( -0.000 -1.267 0.000) 1.267 9.617 ( -0.000 -0.493 0.000) 0.493 9.630 ( 0.000 1.061 -0.000) 1.061 10.140 ( 0.000 1.302 -0.000) 1.302 10.199 ( -0.000 -1.017 0.000) 1.017 10.263 ( -0.000 -0.975 0.000) 0.975 10.323 ( -0.000 -0.796 0.000) 0.796======================= Grid point 42 (30/189) =======================q-point: ( 0.23 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.332 ( 3.595 -0.000 7.025) 7.891 0.364 ( 5.375 -0.000 5.219) 7.492 0.540 ( 6.893 -0.000 5.700) 8.945 0.624 ( -0.876 0.000 -5.930) 5.994 0.919 ( 4.843 -0.000 -3.041) 5.719 0.946 ( 7.202 -0.000 -0.932) 7.262 1.250 ( -0.633 0.000 1.473) 1.603 1.546 ( -1.457 0.000 2.916) 3.260 1.701 ( -1.069 0.000 -0.789) 1.329 1.746 ( -1.554 0.000 0.976) 1.835 2.027 ( -7.449 0.000 1.180) 7.542 2.159 ( -5.428 0.000 -2.945) 6.176 2.338 ( -1.568 0.000 2.903) 3.300 2.344 ( 0.682 -0.000 -0.966) 1.182 2.540 ( -0.202 0.000 0.993) 1.013 3.022 ( -1.005 0.000 -0.570) 1.156 3.086 ( -7.455 0.000 -1.934) 7.701 3.744 ( 1.835 -0.000 3.591) 4.033 3.780 ( -1.352 0.000 -1.073) 1.726 4.008 ( -1.054 0.000 2.077) 2.329 4.072 ( -0.126 0.000 -2.195) 2.199 4.474 ( 0.828 -0.000 -0.904) 1.226 4.774 ( 2.635 -0.000 1.027) 2.828 5.038 ( 0.548 -0.000 -0.149) 0.568 5.611 ( -0.119 0.000 0.831) 0.839 5.704 ( 1.534 -0.000 0.674) 1.675 5.721 ( -0.812 0.000 -1.844) 2.015 5.898 ( -0.157 0.000 0.060) 0.168 8.966 ( -0.473 0.000 -0.058) 0.477 9.087 ( -0.716 0.000 0.559) 0.909 9.597 ( -0.143 0.000 0.975) 0.985 9.673 ( 1.539 -0.000 -1.088) 1.885 10.091 ( -0.923 0.000 -2.490) 2.656 10.124 ( -0.845 0.000 4.277) 4.360 10.406 ( 1.633 -0.000 -1.448) 2.182 10.421 ( 0.590 -0.000 0.509) 0.779======================= Grid point 43 (31/189) =======================q-point: ( 0.31 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.448 ( 1.890 -5.995 7.273) 9.613 0.463 ( 4.596 -4.671 1.686) 6.766 0.607 ( 1.007 -1.342 0.156) 1.685 0.645 ( 2.572 -5.655 -1.217) 6.330 0.929 ( 6.277 0.245 -3.517) 7.200 1.033 ( 5.941 -3.673 -0.513) 7.004 1.242 ( -0.742 0.627 1.809) 2.053 1.490 ( -0.554 4.279 2.363) 4.919 1.757 ( 0.569 -5.291 -3.951) 6.628 1.817 ( -4.340 -7.037 5.138) 9.734 1.984 ( -7.573 -0.189 -0.033) 7.576 2.114 ( -4.093 -0.382 -3.490) 5.393 2.326 ( -1.889 1.327 2.794) 3.624 2.357 ( 0.115 -1.312 -0.927) 1.611 2.526 ( 0.691 1.813 0.873) 2.128 3.027 ( -0.732 -1.047 -0.676) 1.445 3.046 ( -7.029 -1.765 -1.555) 7.413 3.758 ( 1.750 0.598 -0.699) 1.977 3.775 ( -1.996 -0.364 2.466) 3.193 4.078 ( -4.970 -6.332 9.031) 12.098 4.092 ( 4.113 -3.554 -9.151) 10.644 4.496 ( 0.055 -2.014 -0.569) 2.094 4.789 ( 2.586 0.410 0.550) 2.675 5.080 ( 0.181 -3.932 -0.102) 3.937 5.616 ( 0.087 -0.234 0.517) 0.574 5.713 ( -0.230 -0.108 -1.228) 1.254 5.716 ( 1.044 -0.146 0.358) 1.113 5.891 ( -0.364 0.558 0.173) 0.688 8.965 ( -0.491 -0.242 -0.045) 0.549 9.080 ( -0.744 0.505 0.723) 1.154 9.603 ( -0.109 -0.399 0.855) 0.950 9.674 ( 1.438 0.453 -0.999) 1.808 10.086 ( -1.174 -0.969 -2.630) 3.039 10.136 ( -0.443 -0.287 3.405) 3.446 10.395 ( 1.639 1.500 -0.790) 2.358 10.420 ( 0.708 0.793 0.445) 1.152======================= Grid point 44 (32/189) =======================q-point: ( 0.38 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.534 ( 0.586 -1.643 -1.391) 2.231 0.595 ( 3.536 -4.584 3.690) 6.865 0.663 ( 1.584 -3.889 2.376) 4.825 0.820 ( 0.738 -11.272 -0.454) 11.306 0.971 ( 5.924 -1.719 -3.258) 6.976 1.136 ( 3.708 -4.159 -0.226) 5.576 1.243 ( -0.350 -0.660 1.654) 1.814 1.424 ( 0.655 3.080 1.210) 3.373 1.819 ( -2.280 -1.652 -0.447) 2.851 1.898 ( -6.409 -0.780 1.471) 6.622 1.996 ( -2.407 -7.542 0.129) 7.918 2.154 ( -1.241 -7.261 -3.046) 7.971 2.279 ( -2.674 2.876 2.181) 4.492 2.382 ( -0.146 -1.598 -1.202) 2.005 2.494 ( 0.906 2.117 0.777) 2.430 3.018 ( -4.246 -0.975 -0.975) 4.464 3.092 ( -2.021 -5.284 -0.497) 5.679 3.747 ( 1.806 0.800 -3.761) 4.248 3.775 ( -2.255 0.329 4.713) 5.235 4.149 ( -1.377 -4.247 1.103) 4.599 4.257 ( 0.595 -10.571 -0.774) 10.616 4.536 ( -0.820 -2.414 0.254) 2.563 4.793 ( 2.539 0.744 -0.671) 2.730 5.174 ( 0.043 -5.769 0.103) 5.770 5.624 ( 0.280 -0.435 0.119) 0.531 5.709 ( -0.487 -0.221 -1.349) 1.452 5.731 ( 1.311 -0.436 0.882) 1.639 5.876 ( -0.542 0.705 0.232) 0.919 8.968 ( -0.450 -0.463 -0.038) 0.647 9.063 ( -0.690 0.961 0.680) 1.364 9.616 ( -0.063 -0.713 0.620) 0.947 9.667 ( 1.124 0.795 -0.721) 1.554 10.092 ( -1.282 -1.221 -2.449) 3.022 10.152 ( -0.010 -0.528 2.569) 2.623 10.370 ( 1.572 1.961 -0.398) 2.545 10.404 ( 0.714 1.438 0.343) 1.642======================= Grid point 45 (33/189) =======================q-point: ( 0.46 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.545 ( -0.408 -0.387 -1.672) 1.764 0.663 ( 3.087 -0.356 1.587) 3.489 0.788 ( 1.961 -6.427 2.851) 7.300 1.014 ( 4.669 -3.660 -4.187) 7.261 1.050 ( 0.339 -8.207 1.759) 8.400 1.226 ( 1.211 -3.614 -0.705) 3.876 1.280 ( 0.133 -3.192 1.287) 3.444 1.405 ( 0.608 -0.545 1.095) 1.366 1.799 ( -1.455 1.264 -1.085) 2.211 1.873 ( -4.691 -1.150 -0.260) 4.837 2.143 ( -1.357 -7.509 1.137) 7.714 2.201 ( -1.909 3.429 0.146) 3.928 2.315 ( -0.938 -9.320 -0.579) 9.385 2.403 ( -0.035 -0.925 -0.567) 1.086 2.473 ( 0.529 0.367 -0.017) 0.644 3.013 ( -3.985 -1.477 -0.387) 4.267 3.199 ( -0.740 -6.800 -0.190) 6.842 3.728 ( 2.242 1.035 -4.495) 5.129 3.764 ( -2.568 0.909 4.874) 5.584 4.234 ( -0.599 -5.161 0.501) 5.220 4.455 ( -0.494 -9.894 1.458) 10.013 4.573 ( -0.634 -2.034 -0.320) 2.155 4.789 ( 2.348 0.884 -1.685) 3.022 5.287 ( 0.143 -5.933 0.349) 5.945 5.632 ( 0.300 -0.077 -0.153) 0.346 5.705 ( -0.712 -0.068 -0.869) 1.126 5.754 ( 1.263 -0.895 0.733) 1.713 5.866 ( -0.479 -0.082 0.154) 0.509 8.976 ( -0.321 -0.645 -0.053) 0.722 9.042 ( -0.488 1.104 0.427) 1.280 9.632 ( -0.094 -0.872 0.361) 0.948 9.655 ( 0.754 0.901 -0.370) 1.232 10.098 ( -1.011 -0.962 -1.884) 2.345 10.170 ( 0.188 -0.513 1.872) 1.950 10.340 ( 1.169 2.118 -0.137) 2.423 10.381 ( 0.641 1.513 0.094) 1.646======================= Grid point 46 (34/189) =======================q-point: ( 0.54 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.537 ( -0.678 0.335 -1.204) 1.422 0.676 ( 1.771 0.858 1.044) 2.227 0.921 ( 2.856 -4.987 1.599) 5.965 1.046 ( 3.898 0.424 -1.466) 4.186 1.183 ( 0.539 -3.301 0.307) 3.359 1.268 ( -1.805 -1.378 -0.189) 2.279 1.403 ( 0.163 -9.812 0.010) 9.813 1.454 ( 0.021 -3.090 1.617) 3.488 1.776 ( -0.478 -0.279 -1.318) 1.429 1.887 ( -0.654 -2.440 -1.784) 3.093 2.131 ( -3.963 1.796 2.526) 5.031 2.228 ( 0.210 -0.870 -0.925) 1.287 2.431 ( 0.089 -3.017 0.206) 3.025 2.466 ( -0.676 -6.182 1.638) 6.431 2.494 ( 0.667 -2.688 -2.424) 3.680 3.019 ( -3.381 -1.540 0.067) 3.716 3.321 ( 0.007 -6.193 0.120) 6.194 3.708 ( 2.711 1.081 -4.951) 5.747 3.740 ( -3.001 1.447 4.853) 5.887 4.337 ( 0.062 -5.818 0.214) 5.822 4.574 ( -3.517 -1.104 7.063) 7.967 4.639 ( 2.437 -6.418 -6.170) 9.230 4.783 ( 1.773 0.243 -1.090) 2.095 5.392 ( 0.257 -4.809 0.418) 4.834 5.626 ( 0.053 0.829 -0.123) 0.839 5.697 ( -0.913 0.035 -0.644) 1.118 5.782 ( 1.026 -0.982 0.596) 1.540 5.879 ( -0.172 -1.423 -0.005) 1.433 8.987 ( -0.135 -0.668 -0.084) 0.686 9.021 ( -0.289 0.924 0.197) 0.988 9.641 ( 0.445 0.762 -0.130) 0.892 9.649 ( -0.169 -0.760 0.155) 0.794 10.103 ( -0.566 -0.612 -1.172) 1.438 10.184 ( 0.246 -0.223 1.253) 1.297 10.306 ( 0.653 1.999 0.006) 2.103 10.358 ( 0.418 1.211 -0.093) 1.284======================= Grid point 47 (35/189) =======================q-point: ( 0.62 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.522 ( -0.656 0.294 -0.740) 1.032 0.665 ( 0.889 1.381 0.473) 1.710 1.006 ( 4.058 -1.123 0.932) 4.313 1.054 ( 2.141 0.094 -0.601) 2.226 1.194 ( -2.071 1.199 -0.412) 2.428 1.274 ( -2.059 -0.830 0.385) 2.253 1.500 ( 0.734 -1.110 1.095) 1.723 1.607 ( 0.098 -11.070 -0.560) 11.084 1.797 ( -0.054 -1.955 -0.633) 2.056 1.939 ( 1.598 -3.141 -1.532) 3.842 2.113 ( -3.467 -1.540 2.012) 4.294 2.189 ( 0.311 3.987 -0.524) 4.033 2.501 ( 0.060 -3.464 -0.065) 3.465 2.528 ( -0.086 -2.416 0.453) 2.460 2.571 ( 0.340 -3.579 -0.862) 3.697 3.029 ( -2.436 -1.432 0.187) 2.832 3.419 ( 0.269 -3.733 0.304) 3.755 3.690 ( 3.198 1.474 -4.420) 5.652 3.712 ( -3.484 0.375 4.040) 5.348 4.450 ( 0.577 -5.964 -0.123) 5.993 4.566 ( -1.972 1.404 3.050) 3.894 4.709 ( 1.456 -0.916 -2.955) 3.420 4.815 ( 0.733 -2.894 0.158) 2.990 5.466 ( 0.286 -2.586 0.174) 2.608 5.606 ( -0.227 0.983 0.166) 1.022 5.692 ( -0.731 -0.322 -0.649) 1.029 5.804 ( 0.677 -0.586 0.476) 1.014 5.909 ( -0.020 -1.626 -0.069) 1.627 8.997 ( 0.189 -0.246 -0.132) 0.337 9.006 ( -0.358 0.372 0.110) 0.528 9.628 ( 0.218 0.715 -0.011) 0.748 9.662 ( -0.208 -0.580 0.001) 0.617 10.109 ( -0.164 -0.614 -0.514) 0.817 10.188 ( 0.244 0.190 0.642) 0.712 10.275 ( 0.246 1.503 0.047) 1.524 10.340 ( 0.123 0.864 -0.102) 0.878======================= Grid point 48 (36/189) =======================q-point: (-0.31 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.523 ( -0.322 -1.117 -0.251) 1.189 0.641 ( 0.318 1.540 0.072) 1.574 1.024 ( 4.650 1.930 1.232) 5.183 1.056 ( 0.369 0.923 -0.794) 1.273 1.128 ( -4.434 2.853 -0.566) 5.303 1.274 ( -0.599 0.139 0.147) 0.632 1.524 ( 0.809 -0.868 0.120) 1.192 1.787 ( 0.087 -7.088 -0.323) 7.096 1.827 ( -0.107 -1.246 0.137) 1.258 1.999 ( 0.930 -2.151 0.035) 2.344 2.110 ( 0.127 3.120 0.686) 3.197 2.149 ( -0.962 -2.697 -0.645) 2.935 2.543 ( 0.022 -1.010 -0.162) 1.023 2.571 ( 0.121 -1.684 0.180) 1.698 2.609 ( 0.069 -0.618 -0.116) 0.633 3.045 ( -1.180 -1.397 0.038) 1.829 3.461 ( 0.189 -0.605 0.088) 0.640 3.657 ( 0.202 1.951 -0.167) 1.968 3.728 ( -0.359 -2.277 0.017) 2.305 4.522 ( -0.716 2.837 0.783) 3.029 4.561 ( 0.664 -5.305 -0.434) 5.364 4.703 ( 0.295 1.101 -0.268) 1.171 4.863 ( 0.234 -1.204 0.075) 1.229 5.490 ( 0.099 0.107 -0.083) 0.167 5.595 ( -0.130 0.022 0.143) 0.194 5.697 ( -0.375 -0.652 -0.350) 0.830 5.814 ( 0.337 -0.016 0.291) 0.446 5.931 ( -0.024 -0.545 -0.047) 0.548 8.995 ( 0.208 0.199 -0.034) 0.290 9.005 ( -0.264 -0.147 -0.010) 0.303 9.617 ( 0.051 0.507 0.007) 0.509 9.667 ( -0.140 -0.087 -0.047) 0.171 10.122 ( 0.052 -1.019 -0.074) 1.023 10.184 ( 0.149 0.500 0.163) 0.547 10.255 ( 0.041 0.793 0.023) 0.794 10.326 ( -0.056 0.593 -0.026) 0.596======================= Grid point 49 (37/189) =======================q-point: (-0.23 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.556 ( -0.000 -2.147 0.000) 2.147 0.616 ( 0.000 0.891 -0.000) 0.891 0.989 ( 0.000 4.642 -0.000) 4.642 1.016 ( 0.000 2.348 -0.000) 2.348 1.064 ( 0.000 1.773 -0.000) 1.773 1.261 ( 0.000 1.093 -0.000) 1.093 1.540 ( -0.000 -0.277 0.000) 0.277 1.798 ( 0.000 6.238 -0.000) 6.238 1.844 ( -0.000 -0.637 0.000) 0.637 2.039 ( -0.000 -2.708 0.000) 2.708 2.128 ( -0.000 -4.162 0.000) 4.162 2.180 ( -0.000 -0.929 0.000) 0.929 2.538 ( 0.000 1.525 -0.000) 1.525 2.589 ( -0.000 -0.232 0.000) 0.232 2.600 ( 0.000 1.435 -0.000) 1.435 3.067 ( -0.000 -1.310 0.000) 1.310 3.453 ( 0.000 1.223 -0.000) 1.223 3.628 ( 0.000 1.021 -0.000) 1.021 3.778 ( -0.000 -2.787 0.000) 2.787 4.459 ( 0.000 3.663 -0.000) 3.663 4.651 ( -0.000 -3.923 0.000) 3.923 4.677 ( 0.000 1.490 -0.000) 1.490 4.856 ( 0.000 2.073 -0.000) 2.073 5.468 ( 0.000 2.030 -0.000) 2.030 5.605 ( -0.000 -1.037 0.000) 1.037 5.703 ( 0.000 0.045 -0.000) 0.045 5.812 ( 0.000 0.332 -0.000) 0.332 5.927 ( 0.000 0.845 -0.000) 0.845 8.997 ( -0.000 -0.322 0.000) 0.322 9.004 ( 0.000 0.146 -0.000) 0.146 9.611 ( 0.000 0.189 -0.000) 0.189 9.663 ( 0.000 0.484 -0.000) 0.484 10.146 ( -0.000 -1.441 0.000) 1.441 10.174 ( 0.000 0.623 -0.000) 0.623 10.246 ( 0.000 0.147 -0.000) 0.147 10.317 ( 0.000 0.315 -0.000) 0.315======================= Grid point 56 (38/189) =======================q-point: ( 0.31 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.411 ( 2.187 -0.000 5.905) 6.297 0.453 ( 4.248 -0.000 3.763) 5.675 0.570 ( -1.385 0.000 -5.869) 6.030 0.630 ( 3.368 -0.000 2.730) 4.335 0.979 ( 7.127 -0.000 -1.449) 7.273 1.025 ( 6.540 -0.000 -1.190) 6.648 1.251 ( -1.035 0.000 1.943) 2.202 1.547 ( -0.556 0.000 1.321) 1.434 1.679 ( -1.390 0.000 -0.963) 1.691 1.733 ( -1.316 0.000 0.769) 1.524 1.928 ( -9.562 0.000 1.225) 9.640 2.077 ( -4.837 0.000 -2.561) 5.474 2.338 ( -1.062 0.000 2.379) 2.605 2.345 ( 0.475 -0.000 -0.699) 0.845 2.554 ( 1.080 -0.000 1.332) 1.715 2.979 ( -6.502 0.000 -1.238) 6.619 3.012 ( -1.018 0.000 -1.168) 1.550 3.753 ( -1.596 0.000 -1.518) 2.203 3.786 ( 1.524 -0.000 2.923) 3.296 4.010 ( -1.838 0.000 4.001) 4.403 4.057 ( 1.077 -0.000 -4.184) 4.320 4.477 ( 0.556 -0.000 -0.745) 0.930 4.811 ( 2.169 -0.000 1.070) 2.419 5.043 ( 0.361 -0.000 -0.075) 0.369 5.616 ( 0.115 -0.000 0.447) 0.462 5.702 ( -0.451 0.000 -1.681) 1.740 5.727 ( 1.309 -0.000 0.873) 1.574 5.895 ( -0.408 0.000 0.128) 0.428 8.959 ( -0.460 0.000 -0.051) 0.463 9.082 ( -0.633 0.000 0.761) 0.990 9.601 ( -0.150 0.000 0.858) 0.871 9.684 ( 1.430 -0.000 -1.005) 1.748 10.061 ( -1.262 0.000 -2.489) 2.791 10.141 ( -0.281 0.000 3.021) 3.034 10.416 ( 1.140 -0.000 -0.586) 1.282 10.433 ( 0.888 -0.000 0.391) 0.971======================= Grid point 57 (39/189) =======================q-point: ( 0.38 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.492 ( 0.223 -3.329 1.564) 3.685 0.527 ( 2.130 -4.346 4.971) 6.938 0.594 ( 1.750 -5.362 -4.455) 7.188 0.681 ( 1.100 -3.310 1.890) 3.967 0.994 ( 7.127 1.105 -2.281) 7.565 1.098 ( 4.639 -2.725 -0.298) 5.388 1.244 ( -0.950 0.443 1.889) 2.160 1.497 ( 0.229 3.690 0.720) 3.767 1.739 ( 0.310 -4.978 -3.296) 5.978 1.797 ( -5.003 -6.322 6.205) 10.173 1.888 ( -6.557 -1.820 -1.556) 6.981 2.045 ( -3.615 -1.286 -2.664) 4.671 2.322 ( -1.238 1.922 1.974) 3.021 2.355 ( 0.220 -0.918 -0.637) 1.138 2.546 ( 1.326 1.921 1.185) 2.617 2.956 ( -5.568 -1.830 -1.451) 6.038 3.016 ( -0.573 -1.617 -0.497) 1.786 3.741 ( -1.092 -0.165 -1.901) 2.199 3.796 ( 0.710 0.697 2.759) 2.932 4.073 ( -5.945 -3.948 10.266) 12.503 4.088 ( 5.320 -6.013 -10.346) 13.095 4.494 ( 0.104 -1.640 -0.430) 1.699 4.820 ( 1.860 0.591 0.637) 2.053 5.082 ( 0.170 -3.784 -0.019) 3.788 5.620 ( 0.222 -0.245 0.206) 0.390 5.697 ( -0.308 -0.233 -1.457) 1.507 5.737 ( 1.142 -0.081 0.907) 1.460 5.887 ( -0.484 0.590 0.153) 0.778 8.959 ( -0.414 -0.240 -0.047) 0.481 9.076 ( -0.590 0.553 0.740) 1.096 9.607 ( -0.115 -0.388 0.666) 0.779 9.685 ( 1.172 0.511 -0.813) 1.515 10.054 ( -1.238 -0.945 -2.233) 2.723 10.152 ( -0.047 -0.303 2.347) 2.367 10.409 ( 1.122 1.254 -0.342) 1.717 10.432 ( 0.770 0.865 0.338) 1.207======================= Grid point 58 (40/189) =======================q-point: ( 0.46 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.523 ( -0.543 -1.287 -1.308) 1.914 0.655 ( 2.400 -4.632 3.236) 6.139 0.696 ( 1.926 -3.923 0.788) 4.441 0.819 ( -0.501 -11.071 -0.183) 11.084 1.029 ( 6.484 -1.110 -2.568) 7.062 1.163 ( 0.291 -2.741 0.349) 2.778 1.248 ( -0.091 -0.948 0.856) 1.280 1.442 ( 1.456 2.781 0.273) 3.151 1.787 ( -3.541 -1.713 1.632) 4.259 1.835 ( -3.726 0.066 -0.589) 3.773 1.976 ( -1.216 -8.976 0.243) 9.061 2.119 ( -1.577 -9.237 -2.009) 9.583 2.263 ( -1.666 3.773 1.240) 4.307 2.375 ( 0.017 -1.383 -0.695) 1.548 2.514 ( 1.099 2.509 0.906) 2.885 2.958 ( -3.694 -1.741 -0.994) 4.203 3.076 ( -0.645 -5.250 -0.187) 5.293 3.731 ( -0.259 0.069 -2.317) 2.332 3.790 ( -0.102 1.096 2.772) 2.982 4.141 ( -1.039 -4.405 0.953) 4.625 4.258 ( 0.457 -10.595 -0.649) 10.624 4.530 ( -0.369 -2.190 -0.020) 2.221 4.816 ( 1.588 1.007 -0.192) 1.890 5.176 ( 0.057 -5.828 0.099) 5.829 5.629 ( 0.371 -0.418 -0.041) 0.561 5.696 ( -0.361 -0.222 -1.032) 1.116 5.751 ( 0.969 -0.429 0.791) 1.323 5.871 ( -0.500 0.722 0.148) 0.891 8.963 ( -0.326 -0.489 -0.049) 0.590 9.060 ( -0.477 0.983 0.525) 1.212 9.618 ( -0.099 -0.670 0.408) 0.791 9.675 ( 0.785 0.857 -0.501) 1.266 10.063 ( -0.979 -1.348 -1.710) 2.387 10.167 ( 0.141 -0.525 1.653) 1.741 10.384 ( 0.988 1.906 -0.179) 2.155 10.414 ( 0.582 1.511 0.222) 1.634======================= Grid point 59 (41/189) =======================q-point: ( 0.54 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.532 ( -0.335 -0.325 -0.814) 0.938 0.701 ( 1.675 0.249 0.930) 1.932 0.823 ( 1.124 -6.879 1.859) 7.214 1.027 ( 0.945 -8.952 -1.763) 9.173 1.085 ( 3.937 -2.592 -0.138) 4.715 1.215 ( -2.075 -3.133 -0.236) 3.765 1.287 ( 0.153 -3.290 0.466) 3.326 1.421 ( 0.947 -0.023 0.660) 1.155 1.782 ( -0.705 1.166 -0.207) 1.378 1.826 ( -2.447 -2.451 -0.530) 3.504 2.137 ( -0.962 -7.704 1.180) 7.853 2.178 ( -1.411 4.017 -0.359) 4.273 2.302 ( -0.459 -10.175 -0.478) 10.197 2.399 ( -0.036 -1.279 -0.389) 1.337 2.482 ( 0.545 1.192 0.320) 1.349 2.970 ( -2.461 -1.711 -0.347) 3.017 3.192 ( -0.236 -7.126 -0.069) 7.130 3.719 ( 0.338 0.500 -2.295) 2.373 3.772 ( -0.527 1.502 2.474) 2.942 4.231 ( -0.384 -5.398 0.349) 5.423 4.459 ( -0.296 -10.149 1.058) 10.208 4.565 ( -0.174 -1.722 -0.689) 1.863 4.804 ( 1.231 1.027 -0.676) 1.740 5.290 ( 0.070 -6.073 0.195) 6.076 5.636 ( 0.376 0.053 -0.190) 0.425 5.692 ( -0.552 0.037 -0.473) 0.728 5.771 ( 0.738 -0.868 0.485) 1.238 5.862 ( -0.320 -0.176 0.070) 0.372 8.973 ( -0.192 -0.701 -0.051) 0.728 9.039 ( -0.273 1.087 0.246) 1.148 9.632 ( -0.103 -0.811 0.177) 0.837 9.661 ( 0.421 0.951 -0.200) 1.059 10.079 ( -0.569 -1.190 -1.037) 1.678 10.182 ( 0.180 -0.474 1.032) 1.150 10.350 ( 0.615 2.207 -0.052) 2.292 10.387 ( 0.376 1.616 0.042) 1.660======================= Grid point 60 (42/189) =======================q-point: ( 0.62 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.526 ( -0.249 0.478 -0.384) 0.661 0.696 ( 0.621 1.186 0.391) 1.395 0.953 ( 0.985 -5.488 0.822) 5.636 1.080 ( 2.406 0.313 -1.018) 2.631 1.197 ( 1.530 -2.382 0.644) 2.903 1.231 ( -3.200 -1.373 -0.479) 3.515 1.404 ( 0.055 -9.440 0.006) 9.440 1.464 ( 0.206 -3.143 0.678) 3.222 1.767 ( -0.118 -0.458 -0.479) 0.673 1.877 ( 0.191 -3.621 -0.813) 3.717 2.106 ( -1.816 2.171 1.068) 3.025 2.226 ( 0.101 -1.029 -0.369) 1.098 2.432 ( 0.034 -3.061 0.039) 3.061 2.467 ( -0.293 -7.208 0.551) 7.235 2.490 ( 0.309 -1.697 -0.771) 1.890 2.989 ( -1.319 -1.630 -0.001) 2.097 3.323 ( 0.041 -6.451 0.044) 6.451 3.704 ( 0.574 0.600 -1.781) 1.965 3.742 ( -0.675 2.086 1.750) 2.806 4.338 ( -0.006 -6.058 0.109) 6.059 4.577 ( -1.437 -0.278 3.102) 3.430 4.630 ( 1.107 -7.068 -2.902) 7.721 4.794 ( 0.636 0.131 -0.279) 0.706 5.396 ( 0.086 -4.899 0.147) 4.902 5.627 ( 0.106 0.997 -0.090) 1.007 5.686 ( -0.408 0.127 -0.205) 0.474 5.793 ( 0.371 -0.953 0.230) 1.048 5.877 ( -0.070 -1.513 -0.010) 1.515 8.985 ( -0.054 -0.742 -0.042) 0.745 9.019 ( -0.106 0.930 0.072) 0.938 9.644 ( 0.232 0.770 -0.064) 0.807 9.648 ( -0.155 -0.672 0.064) 0.693 10.093 ( -0.197 -0.835 -0.413) 0.952 10.192 ( 0.119 -0.175 0.462) 0.509 10.312 ( 0.229 2.111 0.004) 2.123 10.361 ( 0.144 1.319 -0.039) 1.328======================= Grid point 61 (43/189) =======================q-point: ( 0.69 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.515 ( 0.000 0.305 -0.000) 0.305 0.672 ( 0.000 1.534 -0.000) 1.534 1.035 ( -0.000 -2.495 0.000) 2.495 1.075 ( 0.000 0.912 -0.000) 0.912 1.169 ( 0.000 2.891 -0.000) 2.891 1.262 ( -0.000 -1.327 0.000) 1.327 1.509 ( -0.000 -1.269 0.000) 1.269 1.606 ( -0.000 -11.040 0.000) 11.040 1.794 ( -0.000 -2.082 0.000) 2.082 1.946 ( -0.000 -3.548 0.000) 3.548 2.096 ( -0.000 -1.614 0.000) 1.614 2.190 ( 0.000 3.920 -0.000) 3.920 2.501 ( -0.000 -3.387 0.000) 3.387 2.529 ( -0.000 -2.456 0.000) 2.456 2.570 ( -0.000 -3.697 0.000) 3.697 3.014 ( -0.000 -1.484 0.000) 1.484 3.421 ( -0.000 -3.802 0.000) 3.802 3.699 ( -0.000 -0.485 0.000) 0.485 3.699 ( 0.000 2.397 -0.000) 2.397 4.453 ( -0.000 -6.112 0.000) 6.112 4.564 ( 0.000 1.559 -0.000) 1.559 4.708 ( -0.000 -1.166 0.000) 1.166 4.821 ( -0.000 -2.739 0.000) 2.739 5.468 ( -0.000 -2.561 0.000) 2.561 5.606 ( 0.000 1.021 -0.000) 1.021 5.685 ( -0.000 -0.298 0.000) 0.298 5.810 ( -0.000 -0.586 0.000) 0.586 5.909 ( -0.000 -1.632 0.000) 1.632 8.998 ( -0.000 -0.531 0.000) 0.531 9.004 ( 0.000 0.636 -0.000) 0.636 9.630 ( 0.000 0.750 -0.000) 0.750 9.660 ( -0.000 -0.554 0.000) 0.554 10.106 ( -0.000 -0.754 0.000) 0.754 10.192 ( 0.000 0.231 -0.000) 0.231 10.277 ( 0.000 1.564 -0.000) 1.564 10.340 ( 0.000 0.927 -0.000) 0.927======================= Grid point 71 (44/189) =======================q-point: ( 0.38 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.457 ( -0.179 0.000 3.604) 3.608 0.516 ( 2.724 -0.000 2.275) 3.549 0.523 ( -0.225 0.000 -4.267) 4.273 0.668 ( 1.393 -0.000 0.561) 1.502 1.064 ( 6.995 -0.000 -0.401) 7.006 1.088 ( 4.519 -0.000 -0.845) 4.597 1.250 ( -1.404 0.000 2.215) 2.623 1.550 ( 0.412 -0.000 -0.136) 0.434 1.656 ( -1.273 0.000 -0.968) 1.599 1.724 ( -0.855 0.000 0.561) 1.022 1.819 ( -8.895 0.000 1.188) 8.974 2.012 ( -3.267 0.000 -1.639) 3.655 2.342 ( -0.492 0.000 1.486) 1.565 2.346 ( 0.280 -0.000 -0.419) 0.504 2.578 ( 1.192 -0.000 1.238) 1.719 2.900 ( -4.669 0.000 -1.079) 4.792 2.999 ( -0.433 0.000 -0.678) 0.804 3.725 ( -1.293 0.000 -1.400) 1.906 3.817 ( 0.968 -0.000 1.842) 2.080 4.014 ( -2.581 0.000 5.609) 6.174 4.045 ( 2.158 -0.000 -5.697) 6.092 4.478 ( 0.300 -0.000 -0.460) 0.549 4.839 ( 1.362 -0.000 0.827) 1.593 5.046 ( 0.196 -0.000 -0.011) 0.196 5.619 ( 0.138 -0.000 0.162) 0.212 5.689 ( -0.143 0.000 -1.187) 1.196 5.746 ( 0.904 -0.000 0.715) 1.153 5.891 ( -0.404 0.000 0.110) 0.418 8.954 ( -0.335 0.000 -0.034) 0.336 9.081 ( -0.444 0.000 0.681) 0.813 9.604 ( -0.097 0.000 0.572) 0.580 9.694 ( 1.002 -0.000 -0.701) 1.223 10.031 ( -1.070 0.000 -1.851) 2.137 10.155 ( -0.048 0.000 1.839) 1.840 10.425 ( 0.694 -0.000 -0.186) 0.719 10.446 ( 0.775 -0.000 0.226) 0.807======================= Grid point 72 (45/189) =======================q-point: ( 0.46 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.483 ( -1.167 -1.872 -0.720) 2.320 0.575 ( 0.423 -4.646 4.647) 6.584 0.600 ( 2.728 -7.629 -3.372) 8.776 0.694 ( -0.018 -2.009 0.654) 2.113 1.067 ( 6.157 1.556 -1.102) 6.445 1.134 ( 1.175 -1.129 -0.124) 1.634 1.243 ( -0.877 0.201 1.483) 1.734 1.507 ( 1.151 3.066 -0.450) 3.305 1.724 ( -0.062 -4.053 -1.481) 4.315 1.765 ( -6.211 -4.494 5.058) 9.185 1.821 ( -1.540 -5.774 -2.378) 6.431 1.995 ( -2.085 -1.546 -1.380) 2.940 2.320 ( -0.576 2.408 0.953) 2.653 2.354 ( 0.133 -0.758 -0.307) 0.829 2.568 ( 0.947 1.974 0.885) 2.361 2.895 ( -3.040 -2.150 -0.850) 3.819 3.008 ( -0.309 -1.692 -0.310) 1.747 3.719 ( -0.783 -0.375 -1.097) 1.399 3.817 ( 0.461 0.942 1.332) 1.695 4.067 ( -3.048 -3.084 5.174) 6.751 4.087 ( 2.730 -6.863 -5.195) 9.030 4.493 ( 0.062 -1.465 -0.228) 1.484 4.841 ( 0.952 0.697 0.429) 1.256 5.083 ( 0.087 -3.729 0.009) 3.730 5.623 ( 0.171 -0.300 0.047) 0.348 5.687 ( -0.100 -0.189 -0.822) 0.849 5.753 ( 0.639 -0.124 0.549) 0.852 5.883 ( -0.335 0.624 0.091) 0.714 8.954 ( -0.238 -0.237 -0.029) 0.337 9.074 ( -0.331 0.602 0.478) 0.837 9.609 ( -0.066 -0.359 0.359) 0.511 9.692 ( 0.653 0.555 -0.453) 0.969 10.030 ( -0.763 -0.988 -1.289) 1.795 10.164 ( 0.038 -0.344 1.204) 1.253 10.418 ( 0.556 1.113 -0.105) 1.249 10.442 ( 0.514 0.942 0.165) 1.086======================= Grid point 73 (46/189) =======================q-point: ( 0.54 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.511 ( -0.328 -1.599 -0.510) 1.710 0.691 ( 0.777 -5.216 1.478) 5.477 0.718 ( 1.058 -2.557 -0.060) 2.768 0.810 ( -0.564 -11.766 -0.130) 11.780 1.093 ( 5.620 -0.591 -1.375) 5.816 1.147 ( -3.304 -1.664 0.690) 3.763 1.251 ( 0.008 -1.097 0.216) 1.118 1.460 ( 0.987 2.633 -0.077) 2.812 1.757 ( -2.290 -2.319 1.364) 3.533 1.805 ( -0.649 0.186 -0.843) 1.080 1.968 ( -0.382 -9.347 0.099) 9.355 2.095 ( -0.741 -10.052 -0.655) 10.101 2.255 ( -0.534 4.151 0.354) 4.200 2.373 ( 0.020 -1.264 -0.219) 1.283 2.528 ( 0.467 2.721 0.405) 2.791 2.922 ( -1.354 -2.096 -0.399) 2.527 3.070 ( -0.183 -5.255 -0.062) 5.259 3.718 ( -0.208 -0.094 -0.740) 0.774 3.802 ( 0.059 1.212 0.857) 1.485 4.136 ( -0.382 -4.471 0.371) 4.503 4.259 ( 0.171 -10.626 -0.246) 10.631 4.527 ( -0.104 -2.054 -0.043) 2.057 4.829 ( 0.539 1.124 -0.018) 1.247 5.176 ( 0.020 -5.854 0.039) 5.854 5.632 ( 0.186 -0.460 -0.038) 0.497 5.688 ( -0.143 -0.135 -0.367) 0.417 5.763 ( 0.351 -0.457 0.293) 0.647 5.867 ( -0.204 0.733 0.052) 0.762 8.960 ( -0.120 -0.498 -0.022) 0.513 9.058 ( -0.171 1.006 0.199) 1.039 9.619 ( -0.045 -0.626 0.141) 0.643 9.680 ( 0.280 0.890 -0.178) 0.950 10.047 ( -0.359 -1.451 -0.616) 1.617 10.175 ( 0.071 -0.544 0.573) 0.793 10.392 ( 0.329 1.872 -0.046) 1.901 10.420 ( 0.230 1.573 0.073) 1.592======================= Grid point 74 (47/189) =======================q-point: ( 0.62 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.527 ( -0.000 -0.347 0.000) 0.347 0.715 ( 0.000 0.469 -0.000) 0.469 0.837 ( -0.000 -7.080 0.000) 7.080 1.026 ( -0.000 -9.738 0.000) 9.738 1.119 ( -0.000 -1.385 0.000) 1.385 1.192 ( -0.000 -3.194 0.000) 3.194 1.290 ( -0.000 -3.329 0.000) 3.329 1.430 ( 0.000 0.187 -0.000) 0.187 1.778 ( 0.000 1.450 -0.000) 1.450 1.808 ( -0.000 -3.409 0.000) 3.409 2.135 ( -0.000 -7.872 0.000) 7.872 2.167 ( 0.000 4.256 -0.000) 4.256 2.298 ( -0.000 -10.348 0.000) 10.348 2.398 ( -0.000 -1.339 0.000) 1.339 2.487 ( 0.000 1.448 -0.000) 1.448 2.953 ( -0.000 -1.782 0.000) 1.782 3.191 ( -0.000 -7.230 0.000) 7.230 3.713 ( 0.000 0.424 -0.000) 0.424 3.777 ( 0.000 1.583 -0.000) 1.583 4.229 ( -0.000 -5.477 0.000) 5.477 4.461 ( -0.000 -10.324 0.000) 10.324 4.561 ( -0.000 -1.518 0.000) 1.518 4.809 ( 0.000 1.055 -0.000) 1.055 5.291 ( -0.000 -6.118 0.000) 6.118 5.638 ( 0.000 0.090 -0.000) 0.090 5.687 ( 0.000 0.098 -0.000) 0.098 5.777 ( -0.000 -0.861 0.000) 0.861 5.860 ( -0.000 -0.215 0.000) 0.215 8.971 ( -0.000 -0.718 0.000) 0.718 9.038 ( 0.000 1.084 -0.000) 1.084 9.632 ( -0.000 -0.785 0.000) 0.785 9.663 ( 0.000 0.969 -0.000) 0.969 10.072 ( -0.000 -1.277 0.000) 1.277 10.187 ( -0.000 -0.470 0.000) 0.470 10.354 ( 0.000 2.235 -0.000) 2.235 10.390 ( 0.000 1.662 -0.000) 1.662======================= Grid point 86 (48/189) =======================q-point: ( 0.46 0.46 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.453 ( -1.009 0.000 -0.070) 1.011 0.517 ( 0.634 -0.000 -0.346) 0.722 0.548 ( 0.930 -0.000 0.769) 1.206 0.679 ( 0.416 -0.000 -0.023) 0.417 1.122 ( 1.618 -0.000 -0.284) 1.643 1.130 ( 3.360 -0.000 -0.317) 3.375 1.246 ( -1.000 0.000 1.328) 1.662 1.555 ( 0.638 -0.000 -0.529) 0.829 1.639 ( -0.539 0.000 -0.430) 0.690 1.720 ( -0.290 0.000 0.218) 0.363 1.740 ( -4.104 0.000 0.671) 4.158 1.978 ( -1.139 0.000 -0.552) 1.266 2.344 ( -0.131 0.000 0.498) 0.515 2.347 ( 0.094 -0.000 -0.138) 0.167 2.595 ( 0.494 -0.000 0.512) 0.711 2.855 ( -1.650 0.000 -0.400) 1.698 2.992 ( -0.148 0.000 -0.247) 0.288 3.707 ( -0.499 0.000 -0.573) 0.760 3.833 ( 0.327 -0.000 0.621) 0.702 4.018 ( -1.704 0.000 3.682) 4.058 4.037 ( 1.569 -0.000 -3.703) 4.021 4.479 ( 0.093 -0.000 -0.151) 0.178 4.854 ( 0.457 -0.000 0.313) 0.553 5.048 ( 0.062 -0.000 0.005) 0.062 5.621 ( 0.055 -0.000 0.032) 0.063 5.683 ( -0.015 0.000 -0.430) 0.431 5.757 ( 0.325 -0.000 0.273) 0.424 5.887 ( -0.166 0.000 0.043) 0.172 8.951 ( -0.122 0.000 -0.012) 0.123 9.080 ( -0.163 0.000 0.275) 0.319 9.606 ( -0.030 0.000 0.199) 0.201 9.699 ( 0.359 -0.000 -0.251) 0.438 10.013 ( -0.416 0.000 -0.686) 0.802 10.163 ( 0.004 -0.000 0.621) 0.621 10.431 ( 0.235 -0.000 -0.035) 0.237 10.454 ( 0.303 -0.000 0.072) 0.312======================= Grid point 87 (49/189) =======================q-point: ( 0.54 0.46 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.471 ( -0.000 -2.018 0.000) 2.018 0.593 ( -0.000 -4.202 0.000) 4.202 0.607 ( -0.000 -8.645 0.000) 8.645 0.695 ( -0.000 -1.325 0.000) 1.325 1.122 ( 0.000 1.111 -0.000) 1.111 1.123 ( 0.000 0.371 -0.000) 0.371 1.242 ( 0.000 0.025 -0.000) 0.025 1.515 ( 0.000 2.762 -0.000) 2.762 1.719 ( -0.000 -1.011 0.000) 1.011 1.736 ( -0.000 -7.025 0.000) 7.025 1.808 ( -0.000 -6.964 0.000) 6.964 1.978 ( -0.000 -1.569 0.000) 1.569 2.320 ( 0.000 2.598 -0.000) 2.598 2.354 ( -0.000 -0.715 0.000) 0.715 2.577 ( 0.000 1.985 -0.000) 1.985 2.873 ( -0.000 -2.249 0.000) 2.249 3.005 ( -0.000 -1.726 0.000) 1.726 3.710 ( -0.000 -0.456 0.000) 0.456 3.824 ( 0.000 1.007 -0.000) 1.007 4.065 ( -0.000 -2.906 0.000) 2.906 4.088 ( -0.000 -7.028 0.000) 7.028 4.492 ( -0.000 -1.412 0.000) 1.412 4.849 ( 0.000 0.729 -0.000) 0.729 5.084 ( -0.000 -3.713 0.000) 3.713 5.625 ( -0.000 -0.334 0.000) 0.334 5.684 ( -0.000 -0.161 0.000) 0.161 5.759 ( -0.000 -0.138 0.000) 0.138 5.881 ( 0.000 0.638 -0.000) 0.638 8.953 ( -0.000 -0.235 0.000) 0.235 9.074 ( 0.000 0.623 -0.000) 0.623 9.610 ( -0.000 -0.343 0.000) 0.343 9.695 ( 0.000 0.571 -0.000) 0.571 10.021 ( -0.000 -1.017 0.000) 1.017 10.168 ( -0.000 -0.361 0.000) 0.361 10.421 ( 0.000 1.072 -0.000) 1.072 10.446 ( 0.000 0.969 -0.000) 0.969======================= Grid point 175 (50/189) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.224 ( 3.932 -0.000 10.040) 10.782 0.293 ( -1.700 0.000 13.002) 13.113 0.531 ( -7.588 0.000 20.829) 22.168 0.608 ( -1.811 0.000 -6.877) 7.112 0.793 ( 1.101 -0.000 -7.116) 7.201 0.844 ( -1.674 0.000 3.951) 4.291 1.220 ( 3.539 -0.000 -2.823) 4.527 1.458 ( 6.491 -0.000 -13.009) 14.538 1.583 ( -0.810 0.000 8.956) 8.992 2.024 ( -5.251 0.000 11.355) 12.510 2.154 ( 5.326 -0.000 -11.965) 13.097 2.161 ( -0.158 0.000 2.360) 2.365 2.353 ( -2.481 0.000 -0.733) 2.587 2.506 ( 1.299 -0.000 -5.498) 5.649 2.780 ( -7.910 0.000 7.933) 11.203 3.128 ( -2.247 0.000 3.051) 3.790 3.216 ( 0.838 -0.000 -2.558) 2.692 3.660 ( 5.742 -0.000 -11.999) 13.302 3.712 ( 0.430 -0.000 4.853) 4.872 3.913 ( 1.889 -0.000 -3.797) 4.241 4.274 ( -3.473 0.000 7.917) 8.645 4.447 ( -0.203 0.000 -1.233) 1.249 4.752 ( -1.650 0.000 3.500) 3.870 4.974 ( 2.012 -0.000 -4.150) 4.612 5.639 ( 0.762 -0.000 2.102) 2.236 5.693 ( -2.304 0.000 3.291) 4.017 5.751 ( -0.830 0.000 -1.904) 2.077 5.861 ( 1.219 -0.000 -2.890) 3.137 8.995 ( -0.840 0.000 1.596) 1.803 9.083 ( 0.898 -0.000 -1.562) 1.801 9.594 ( 0.508 -0.000 0.609) 0.793 9.639 ( -0.359 0.000 -0.999) 1.061 10.144 ( -2.482 0.000 1.362) 2.831 10.195 ( 6.329 -0.000 -0.385) 6.341 10.397 ( -6.929 0.000 -0.133) 6.931 10.406 ( 0.855 -0.000 -0.367) 0.931======================= Grid point 176 (51/189) =======================q-point: ( 0.08 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.319 ( 5.036 -3.209 7.877) 9.885 0.370 ( -0.211 -4.956 9.574) 10.782 0.584 ( 0.307 -1.110 -6.684) 6.782 0.656 ( -4.088 -8.092 13.018) 15.864 0.781 ( 0.033 -1.665 -2.657) 3.136 0.910 ( -0.966 -5.151 2.047) 5.626 1.210 ( 3.304 1.843 -2.592) 4.586 1.525 ( 5.138 -5.148 -10.650) 12.897 1.591 ( -1.509 -0.396 7.959) 8.111 2.072 ( -4.392 -3.992 9.133) 10.892 2.154 ( 2.200 0.230 -9.544) 9.797 2.173 ( -0.793 -1.016 0.252) 1.313 2.314 ( -1.032 1.257 -1.968) 2.553 2.397 ( -0.333 6.641 -2.455) 7.088 2.736 ( -8.019 1.558 10.694) 13.457 3.121 ( -1.439 0.269 0.387) 1.514 3.223 ( -2.235 -1.494 0.376) 2.715 3.649 ( 4.519 0.589 -9.655) 10.677 3.787 ( 0.746 -4.226 2.327) 4.882 3.941 ( 1.545 -3.677 -4.659) 6.133 4.305 ( -3.580 -2.711 7.616) 8.842 4.491 ( 0.386 -3.991 -2.699) 4.833 4.751 ( -1.840 -0.009 4.711) 5.058 5.026 ( 2.562 -4.477 -6.063) 7.961 5.651 ( 0.299 -0.158 2.561) 2.583 5.689 ( -1.651 0.115 2.970) 3.400 5.740 ( -1.006 -0.187 -2.211) 2.436 5.856 ( 1.780 0.406 -2.468) 3.070 8.998 ( -0.846 -0.213 1.575) 1.800 9.084 ( 0.707 0.113 -1.370) 1.546 9.601 ( 0.510 -0.177 0.734) 0.911 9.632 ( 0.050 0.148 -1.043) 1.054 10.125 ( -1.310 0.544 1.703) 2.217 10.214 ( 2.392 0.977 -0.554) 2.643 10.338 ( -4.264 1.343 1.877) 4.849 10.399 ( 0.734 1.104 -0.229) 1.346======================= Grid point 177 (52/189) =======================q-point: ( 0.15 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.435 ( 3.338 -3.815 5.002) 7.121 0.501 ( 0.386 -5.441 3.153) 6.300 0.614 ( 1.778 -3.771 -3.509) 5.449 0.768 ( 1.080 -4.047 -5.083) 6.587 0.886 ( 0.387 -6.642 7.899) 10.328 1.024 ( -1.468 -6.448 2.599) 7.105 1.201 ( 1.678 -0.712 0.552) 1.905 1.550 ( -3.943 0.481 9.445) 10.246 1.701 ( 4.920 -7.305 -9.543) 12.986 2.069 ( -1.364 3.511 -4.927) 6.201 2.145 ( -2.431 -0.453 2.461) 3.489 2.212 ( -1.538 -4.762 1.402) 5.197 2.294 ( 1.169 1.891 -1.525) 2.696 2.329 ( 1.590 -2.019 -6.384) 6.882 2.689 ( -8.324 1.857 11.146) 14.034 3.105 ( -0.034 0.420 -2.652) 2.686 3.252 ( -4.146 -3.089 3.733) 6.377 3.634 ( 3.618 0.806 -7.146) 8.050 3.855 ( -1.136 -2.272 3.134) 4.034 4.040 ( 2.762 -6.771 -6.394) 9.714 4.373 ( -3.114 -4.402 5.266) 7.537 4.563 ( 1.858 -3.773 -2.929) 5.125 4.765 ( -3.463 -1.234 6.849) 7.773 5.114 ( 3.003 -5.114 -6.042) 8.467 5.663 ( -0.892 -0.355 3.008) 3.158 5.692 ( -0.218 -0.173 2.441) 2.457 5.732 ( -0.997 -0.403 -2.348) 2.582 5.853 ( 1.809 0.374 -2.307) 2.956 9.001 ( -0.999 -0.177 1.366) 1.702 9.074 ( 0.418 0.868 -0.781) 1.240 9.612 ( 0.476 -0.461 0.666) 0.939 9.628 ( 0.328 0.100 -0.743) 0.818 10.124 ( -0.650 -0.460 0.877) 1.185 10.198 ( -0.019 1.041 0.064) 1.043 10.310 ( -0.866 0.895 0.823) 1.493 10.377 ( 0.790 1.636 -0.202) 1.828======================= Grid point 178 (53/189) =======================q-point: ( 0.23 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.522 ( 0.846 -2.848 1.441) 3.302 0.581 ( 0.928 -2.551 0.622) 2.785 0.713 ( 1.159 -5.129 1.137) 5.379 0.848 ( 2.219 -5.286 -4.170) 7.089 1.023 ( 4.813 -5.072 -0.190) 6.995 1.080 ( 1.860 0.288 -2.056) 2.787 1.320 ( -3.548 -9.788 9.433) 14.049 1.555 ( -5.247 -0.586 10.910) 12.120 1.785 ( 2.161 -1.843 -8.034) 8.522 2.008 ( 3.501 1.020 -10.215) 10.846 2.122 ( -5.510 -0.063 3.862) 6.729 2.264 ( 0.939 -1.567 -0.377) 1.865 2.344 ( 0.384 -5.644 -2.234) 6.082 2.372 ( 1.671 -2.995 -4.738) 5.849 2.639 ( -8.649 1.740 11.443) 14.449 3.090 ( 0.977 0.396 -4.116) 4.249 3.309 ( -3.753 -4.051 4.440) 7.085 3.616 ( 2.927 1.076 -5.483) 6.308 3.887 ( -3.063 -1.283 4.913) 5.930 4.160 ( 3.055 -5.943 -6.430) 9.273 4.462 ( -1.055 -5.359 0.756) 5.514 4.627 ( 3.050 -2.350 -2.942) 4.846 4.797 ( -5.955 -2.304 9.534) 11.474 5.210 ( 3.626 -4.840 -5.609) 8.249 5.676 ( -1.788 -0.859 3.179) 3.747 5.706 ( 0.706 -0.370 2.177) 2.318 5.729 ( -0.731 -0.681 -2.311) 2.518 5.851 ( 1.418 -0.042 -2.086) 2.523 9.001 ( -0.869 -0.088 0.901) 1.255 9.054 ( 0.149 1.252 -0.359) 1.311 9.625 ( 0.350 -0.056 -0.250) 0.434 9.630 ( 0.464 -0.490 0.487) 0.832 10.132 ( -0.868 -0.641 -0.661) 1.265 10.184 ( 0.223 0.608 0.590) 0.876 10.293 ( -0.012 0.891 0.533) 1.038 10.350 ( 0.878 1.584 -0.201) 1.823======================= Grid point 179 (54/189) =======================q-point: ( 0.31 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.562 ( -0.779 -1.359 -0.515) 1.648 0.621 ( 0.660 -0.771 2.090) 2.323 0.808 ( 0.879 -3.712 1.478) 4.091 0.947 ( 1.693 -4.095 -1.548) 4.694 1.084 ( 3.066 -1.302 -3.115) 4.561 1.141 ( 6.536 -4.241 -3.174) 8.413 1.489 ( -3.580 -4.675 8.410) 10.267 1.588 ( -4.927 -4.106 7.830) 10.121 1.782 ( 0.158 -0.485 -4.280) 4.311 1.978 ( 0.248 -0.273 -7.348) 7.358 2.123 ( -2.810 -0.924 2.435) 3.832 2.323 ( 0.746 -3.985 -1.090) 4.198 2.408 ( 1.043 -2.370 -3.792) 4.592 2.442 ( 1.863 -3.281 -2.677) 4.627 2.600 ( -7.721 0.329 10.185) 12.785 3.074 ( 1.772 0.701 -4.946) 5.301 3.378 ( -2.257 -3.707 3.583) 5.627 3.594 ( 2.493 1.282 -4.642) 5.423 3.899 ( -4.565 -0.586 6.503) 7.967 4.256 ( 3.257 -4.414 -6.195) 8.274 4.552 ( 0.626 -4.111 -1.915) 4.578 4.677 ( 2.750 -2.448 -2.624) 4.521 4.831 ( -7.045 -1.899 11.045) 13.238 5.295 ( 4.173 -3.367 -6.028) 8.068 5.690 ( -2.601 -0.819 3.637) 4.546 5.723 ( -0.068 -0.485 0.242) 0.546 5.738 ( 0.683 -0.986 -0.272) 1.230 5.862 ( 1.162 -0.952 -1.993) 2.496 9.000 ( -0.538 -0.028 0.365) 0.651 9.031 ( -0.006 1.040 -0.070) 1.042 9.623 ( 0.195 0.208 0.143) 0.319 9.647 ( 0.499 -0.693 0.153) 0.868 10.130 ( -1.112 -0.223 -1.290) 1.717 10.182 ( 0.536 0.260 0.915) 1.092 10.279 ( 0.150 0.793 0.599) 1.005 10.329 ( 0.926 1.133 -0.354) 1.505======================= Grid point 180 (55/189) =======================q-point: ( 0.38 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.566 ( -1.381 -0.174 -0.201) 1.406 0.633 ( 0.298 0.367 1.652) 1.718 0.868 ( 0.612 -1.706 1.512) 2.360 1.007 ( 0.665 -2.460 0.060) 2.549 1.150 ( 3.201 -3.490 -1.864) 5.089 1.238 ( 5.596 -3.029 -3.326) 7.180 1.504 ( -1.566 1.244 1.825) 2.707 1.626 ( -1.099 0.741 -2.433) 2.771 1.843 ( -3.051 -7.216 4.803) 9.190 1.999 ( -3.054 -3.817 -0.426) 4.907 2.122 ( -0.950 0.461 1.439) 1.785 2.366 ( -2.477 0.779 3.587) 4.429 2.445 ( 1.555 -2.545 -3.560) 4.644 2.485 ( 1.863 -1.598 -2.728) 3.669 2.608 ( -3.536 -1.946 4.456) 6.012 3.052 ( 2.560 1.137 -5.908) 6.539 3.436 ( -0.933 -2.285 2.346) 3.405 3.572 ( 2.303 0.954 -4.299) 4.969 3.898 ( -5.442 -0.187 7.847) 9.551 4.325 ( 4.425 -2.748 -7.657) 9.261 4.600 ( -0.511 -1.329 0.009) 1.424 4.738 ( 2.298 -2.942 -2.736) 4.628 4.855 ( -6.354 -1.526 11.058) 12.844 5.343 ( 4.470 -1.248 -7.293) 8.645 5.697 ( -2.616 -0.130 4.579) 5.275 5.728 ( -1.221 -0.886 -1.282) 1.980 5.765 ( 1.273 -0.770 1.393) 2.038 5.886 ( 1.156 -1.445 -2.073) 2.779 8.996 ( -0.253 0.218 -0.004) 0.334 9.018 ( -0.040 0.345 0.106) 0.363 9.621 ( 0.012 0.181 0.457) 0.492 9.660 ( 0.476 -0.462 -0.377) 0.763 10.124 ( -0.894 -0.247 -0.570) 1.088 10.181 ( 0.362 0.462 0.481) 0.759 10.268 ( 0.020 0.666 0.762) 1.012 10.318 ( 0.899 0.482 -0.652) 1.210======================= Grid point 181 (56/189) =======================q-point: ( 0.46 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.564 ( -1.260 -0.725 0.765) 1.643 0.625 ( 0.033 0.934 0.531) 1.075 0.894 ( 0.189 -0.493 1.385) 1.482 1.051 ( -0.164 -1.343 1.245) 1.838 1.207 ( 0.866 -1.156 -0.840) 1.671 1.295 ( 2.951 -1.051 -1.884) 3.656 1.456 ( -0.471 2.559 -1.956) 3.255 1.606 ( 3.327 -0.845 -7.283) 8.051 1.962 ( -3.484 -3.386 5.711) 7.498 2.064 ( -3.289 -4.789 5.012) 7.673 2.109 ( -0.496 0.687 1.609) 1.819 2.307 ( -4.280 3.904 6.254) 8.525 2.481 ( 1.889 -1.137 -4.019) 4.584 2.512 ( 1.947 -0.642 -3.022) 3.651 2.641 ( -1.176 -1.830 1.940) 2.915 3.028 ( 3.348 1.008 -6.951) 7.781 3.459 ( -0.397 0.032 1.047) 1.120 3.567 ( 2.195 -0.480 -3.822) 4.433 3.894 ( -5.511 -0.164 8.963) 10.523 4.359 ( 5.936 -0.485 -10.076) 11.704 4.602 ( -2.758 0.501 3.359) 4.375 4.785 ( 1.441 -1.446 -1.490) 2.528 4.886 ( -4.678 -1.737 9.416) 10.657 5.354 ( 4.465 0.160 -8.514) 9.615 5.690 ( -2.018 0.757 3.791) 4.361 5.738 ( -1.875 -1.355 0.022) 2.313 5.785 ( 1.059 -0.050 1.627) 1.942 5.908 ( 1.074 -0.694 -2.161) 2.511 8.991 ( -0.128 0.158 0.013) 0.204 9.015 ( -0.031 0.038 0.000) 0.049 9.620 ( -0.198 0.068 0.616) 0.651 9.666 ( 0.361 -0.086 -0.756) 0.842 10.127 ( -0.517 -0.644 0.317) 0.885 10.172 ( 0.326 0.699 -0.092) 0.776 10.260 ( -0.250 0.375 0.820) 0.936 10.316 ( 0.633 -0.003 -0.807) 1.026======================= Grid point 182 (57/189) =======================q-point: (-0.46 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.589 ( -0.836 -2.101 1.614) 2.779 0.606 ( -0.198 0.975 -0.358) 1.057 0.902 ( -0.177 0.070 1.334) 1.347 1.044 ( -1.533 2.319 1.596) 3.206 1.196 ( -1.284 1.393 -1.141) 2.211 1.285 ( -1.152 2.135 -1.788) 3.014 1.432 ( 2.862 -0.317 -2.593) 3.875 1.648 ( 4.404 -2.927 -6.899) 8.692 1.933 ( -1.044 5.655 4.534) 7.323 2.100 ( -1.554 0.161 2.878) 3.275 2.151 ( -2.513 -0.925 7.001) 7.495 2.248 ( -2.731 -0.347 3.998) 4.854 2.484 ( 1.647 0.741 -3.427) 3.873 2.503 ( 1.846 1.711 -3.496) 4.308 2.667 ( -0.901 -0.705 2.571) 2.814 3.016 ( 3.860 0.096 -7.333) 8.288 3.445 ( -0.357 1.282 0.650) 1.481 3.584 ( 1.726 -1.062 -3.574) 4.108 3.896 ( -4.650 -0.193 9.376) 10.467 4.351 ( 6.458 1.679 -10.941) 12.815 4.574 ( -3.307 1.635 4.694) 5.970 4.797 ( 1.566 0.774 -2.178) 2.792 4.917 ( -4.872 -1.281 9.910) 11.117 5.342 ( 4.261 0.834 -9.058) 10.045 5.675 ( -1.521 0.722 2.986) 3.427 5.748 ( -2.144 -0.576 1.281) 2.563 5.791 ( 1.033 0.517 1.207) 1.670 5.907 ( 0.873 0.679 -2.191) 2.454 8.990 ( -0.001 -0.120 0.015) 0.121 9.014 ( -0.099 0.065 -0.001) 0.118 9.621 ( -0.410 -0.125 0.676) 0.801 9.663 ( 0.134 0.350 -0.812) 0.895 10.142 ( 0.069 -0.748 0.583) 0.951 10.161 ( 0.361 0.483 -0.361) 0.703 10.258 ( -0.556 -0.119 0.745) 0.937 10.319 ( 0.165 -0.277 -0.733) 0.801======================= Grid point 183 (58/189) =======================q-point: (-0.38 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.583 ( -0.930 1.010 -0.169) 1.383 0.636 ( -0.073 -2.313 1.505) 2.761 0.899 ( -0.926 0.726 2.302) 2.586 0.961 ( -1.704 5.048 -0.226) 5.333 1.144 ( -1.666 2.535 -2.523) 3.945 1.213 ( -1.868 3.392 -2.444) 4.580 1.457 ( 1.392 -0.723 -0.033) 1.569 1.692 ( 0.871 1.184 0.416) 1.527 1.818 ( 0.861 4.854 1.159) 5.064 2.085 ( 2.245 3.055 -3.060) 4.872 2.114 ( -1.200 2.035 6.892) 7.286 2.308 ( -1.340 -3.270 3.126) 4.718 2.440 ( 1.564 3.790 -3.220) 5.214 2.468 ( 1.586 1.648 -2.809) 3.622 2.668 ( -1.562 1.028 4.542) 4.912 3.026 ( 3.824 -0.923 -6.502) 7.599 3.415 ( -0.565 1.946 1.498) 2.520 3.599 ( 1.205 -0.792 -3.697) 3.968 3.902 ( -3.238 0.203 8.573) 9.166 4.309 ( 5.741 3.181 -9.425) 11.485 4.538 ( -1.892 1.687 3.220) 4.098 4.754 ( 1.468 3.941 -2.784) 5.043 4.936 ( -5.604 -0.549 10.449) 11.869 5.314 ( 3.821 1.823 -8.590) 9.577 5.666 ( -0.837 0.377 2.154) 2.341 5.737 ( -2.302 0.758 2.204) 3.276 5.791 ( 0.967 0.400 0.446) 1.137 5.882 ( 0.761 1.611 -2.216) 2.843 8.994 ( 0.152 -0.180 -0.004) 0.236 9.014 ( -0.097 -0.197 0.108) 0.245 9.624 ( -0.582 -0.372 0.655) 0.952 9.650 ( -0.119 0.724 -0.575) 0.932 10.140 ( 0.742 0.880 -0.905) 1.464 10.173 ( 0.234 -1.078 0.796) 1.360 10.264 ( -0.803 -0.783 0.669) 1.306 10.324 ( -0.314 -0.483 -0.538) 0.788======================= Grid point 184 (59/189) =======================q-point: (-0.31 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.546 ( -1.810 2.363 0.315) 2.993 0.675 ( 0.223 -1.228 0.861) 1.516 0.815 ( -2.561 7.300 2.876) 8.254 0.907 ( -0.701 0.375 -0.928) 1.222 1.063 ( -0.072 4.203 -5.132) 6.634 1.134 ( -2.174 2.492 -2.229) 3.988 1.449 ( -2.835 3.685 5.714) 7.366 1.576 ( -3.060 7.468 8.207) 11.510 1.831 ( 2.729 -2.249 -3.509) 4.982 2.022 ( 5.697 2.938 -8.755) 10.851 2.113 ( 0.847 0.893 5.096) 5.242 2.316 ( 0.156 3.030 -0.447) 3.066 2.377 ( 2.551 2.380 -3.259) 4.774 2.443 ( 0.868 1.183 -1.408) 2.034 2.648 ( -2.736 1.371 7.844) 8.420 3.051 ( 3.417 -1.261 -4.968) 6.160 3.373 ( -0.790 2.869 2.852) 4.122 3.607 ( 1.366 -0.591 -4.052) 4.317 3.898 ( -2.000 1.153 6.657) 7.046 4.244 ( 4.680 4.377 -7.309) 9.720 4.514 ( -0.024 0.999 1.134) 1.512 4.656 ( 0.793 6.072 -1.941) 6.424 4.928 ( -6.045 1.271 9.618) 11.431 5.265 ( 3.437 3.077 -7.439) 8.753 5.659 ( -0.334 0.709 1.175) 1.413 5.714 ( -2.178 0.827 2.758) 3.610 5.789 ( 0.605 0.415 0.048) 0.735 5.850 ( 0.959 1.337 -2.398) 2.908 8.997 ( 0.057 0.009 0.400) 0.404 9.024 ( 0.278 -0.803 -0.091) 0.855 9.629 ( -0.413 0.190 0.064) 0.459 9.634 ( -0.555 0.178 0.226) 0.626 10.122 ( 0.766 1.143 -0.842) 1.613 10.194 ( 0.286 -0.738 0.363) 0.871 10.282 ( -0.863 -1.482 0.759) 1.875 10.331 ( -0.577 -0.749 -0.403) 1.028======================= Grid point 185 (60/189) =======================q-point: (-0.23 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.466 ( -2.660 4.974 1.083) 5.744 0.653 ( -0.644 8.554 1.284) 8.674 0.691 ( -1.708 0.337 0.348) 1.776 0.882 ( -2.507 1.494 1.927) 3.497 0.952 ( 0.686 5.939 -5.777) 8.314 1.094 ( -0.947 0.165 -2.156) 2.360 1.292 ( -4.802 10.559 8.707) 14.504 1.517 ( -4.177 1.171 9.859) 10.771 1.827 ( 4.514 4.129 -7.997) 10.068 2.028 ( 5.148 -3.231 -7.660) 9.779 2.116 ( 1.834 1.123 3.667) 4.251 2.250 ( 0.372 3.035 -0.668) 3.130 2.338 ( 2.081 2.559 -1.707) 3.713 2.407 ( 1.961 2.783 -4.588) 5.713 2.650 ( -3.306 -0.528 10.650) 11.163 3.080 ( 2.886 -1.203 -3.450) 4.656 3.319 ( -0.857 3.378 3.886) 5.220 3.615 ( 2.466 -0.633 -5.000) 5.611 3.875 ( -0.913 2.265 4.101) 4.773 4.156 ( 4.023 5.531 -6.339) 9.326 4.485 ( -1.596 4.060 3.072) 5.335 4.555 ( 2.272 3.034 -2.562) 4.575 4.876 ( -6.246 3.154 8.110) 10.711 5.196 ( 3.437 4.043 -6.577) 8.451 5.643 ( -0.085 1.035 0.946) 1.405 5.700 ( -2.103 0.298 3.029) 3.699 5.783 ( 0.191 0.460 -0.299) 0.581 5.835 ( 1.388 0.196 -2.733) 3.071 8.998 ( -0.154 0.025 0.978) 0.991 9.044 ( 0.699 -1.069 -0.372) 1.330 9.612 ( -0.180 0.887 0.026) 0.906 9.639 ( -0.808 -0.532 0.205) 0.990 10.103 ( 0.684 1.167 -0.090) 1.356 10.205 ( 0.103 -0.180 -0.106) 0.233 10.312 ( -1.069 -1.940 1.027) 2.441 10.344 ( -0.342 -1.127 -0.545) 1.298======================= Grid point 186 (61/189) =======================q-point: (-0.15 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.344 ( -2.413 6.609 2.878) 7.602 0.477 ( -1.746 9.706 3.999) 10.641 0.668 ( -1.370 0.904 -2.843) 3.283 0.801 ( -2.598 8.031 4.386) 9.512 0.852 ( -2.899 1.497 -0.533) 3.306 1.041 ( -2.861 6.499 2.754) 7.617 1.158 ( 0.759 1.215 0.212) 1.448 1.515 ( -4.561 -0.175 11.107) 12.008 1.702 ( 6.515 8.417 -12.158) 16.159 2.095 ( 0.555 0.537 3.857) 3.933 2.143 ( 3.203 -3.635 -3.805) 6.160 2.204 ( 0.623 1.731 -0.079) 1.841 2.303 ( 0.903 1.449 -1.808) 2.487 2.355 ( 2.808 1.310 -5.312) 6.150 2.691 ( -3.218 -1.988 10.902) 11.539 3.108 ( 1.897 -1.093 -1.855) 2.870 3.267 ( -0.465 2.835 3.268) 4.351 3.630 ( 4.168 -0.838 -6.811) 8.029 3.830 ( 0.520 3.383 1.616) 3.785 4.047 ( 2.980 6.195 -5.493) 8.800 4.380 ( -3.555 5.445 6.260) 9.026 4.540 ( 2.906 1.023 -3.048) 4.334 4.798 ( -5.602 3.196 6.432) 9.109 5.116 ( 3.731 4.466 -6.627) 8.820 5.631 ( 0.347 0.677 1.268) 1.479 5.695 ( -2.287 -0.089 3.177) 3.916 5.773 ( -0.211 0.368 -0.786) 0.894 5.840 ( 1.630 -0.586 -2.890) 3.369 8.999 ( -0.500 0.096 1.434) 1.522 9.067 ( 0.980 -0.918 -0.688) 1.508 9.598 ( 0.038 0.621 0.227) 0.662 9.642 ( -0.758 -0.334 -0.329) 0.891 10.092 ( 0.722 0.528 1.486) 1.734 10.202 ( 0.118 0.408 -0.264) 0.500 10.347 ( -2.099 -2.394 1.389) 3.474 10.366 ( 0.462 -1.401 -0.821) 1.688======================= Grid point 187 (62/189) =======================q-point: (-0.08 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.234 ( -0.311 5.091 7.046) 8.699 0.323 ( -2.144 6.591 9.303) 11.601 0.610 ( -4.339 6.266 9.358) 12.069 0.656 ( -4.674 3.083 0.590) 5.630 0.808 ( -1.268 0.976 -2.995) 3.396 0.913 ( -1.586 5.462 2.108) 6.066 1.186 ( 3.127 -1.846 -2.750) 4.555 1.527 ( 2.047 2.759 -3.335) 4.788 1.558 ( 1.650 3.596 1.259) 4.152 2.060 ( -2.794 3.572 8.358) 9.509 2.158 ( 0.684 0.721 0.963) 1.383 2.190 ( 4.209 2.148 -10.386) 11.411 2.335 ( -1.076 -3.401 0.048) 3.567 2.399 ( 3.362 -6.593 -2.944) 7.965 2.747 ( -4.461 -2.770 10.371) 11.625 3.128 ( -0.388 -0.508 0.885) 1.092 3.232 ( 0.790 1.576 -0.208) 1.775 3.651 ( 5.656 -0.832 -9.719) 11.276 3.763 ( 1.452 4.870 0.956) 5.171 3.946 ( 1.603 3.796 -3.349) 5.310 4.300 ( -3.702 3.028 7.656) 9.027 4.503 ( 0.942 3.405 -2.989) 4.627 4.751 ( -3.122 0.597 4.817) 5.771 5.032 ( 3.270 4.510 -6.622) 8.653 5.630 ( 0.710 0.276 1.677) 1.842 5.694 ( -2.434 -0.205 3.301) 4.106 5.762 ( -0.555 0.188 -1.382) 1.501 5.854 ( 1.464 -0.797 -2.939) 3.379 8.997 ( -0.879 0.160 1.602) 1.834 9.082 ( 1.069 -0.222 -1.311) 1.706 9.592 ( 0.328 0.261 0.410) 0.587 9.641 ( -0.590 -0.250 -0.723) 0.966 10.112 ( 1.015 -1.474 3.098) 3.578 10.190 ( 1.230 1.186 -0.255) 1.728 10.387 ( -3.949 -3.356 1.007) 5.280 10.392 ( 0.913 -1.054 -0.695) 1.558======================= Grid point 189 (63/189) =======================q-point: ( 0.08 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.357 ( 6.372 -0.000 8.926) 10.967 0.367 ( 0.326 -0.000 11.986) 11.991 0.555 ( 0.846 -0.000 -7.870) 7.915 0.585 ( -4.204 0.000 17.924) 18.411 0.765 ( 2.282 -0.000 -7.465) 7.806 0.856 ( 0.067 -0.000 3.082) 3.083 1.243 ( 2.803 -0.000 -2.386) 3.681 1.451 ( 6.313 -0.000 -13.527) 14.928 1.622 ( -1.869 0.000 7.583) 7.810 2.025 ( -6.227 0.000 10.598) 12.292 2.135 ( 3.820 -0.000 -11.248) 11.879 2.164 ( -2.121 0.000 2.432) 3.227 2.310 ( -2.709 0.000 -1.874) 3.294 2.457 ( -3.649 0.000 -1.773) 4.057 2.730 ( -9.260 0.000 10.765) 14.200 3.112 ( -2.468 0.000 0.529) 2.525 3.192 ( -3.305 0.000 0.327) 3.321 3.650 ( 5.355 -0.000 -11.610) 12.785 3.752 ( 0.698 -0.000 5.006) 5.054 3.898 ( 0.584 -0.000 -5.397) 5.429 4.282 ( -3.808 0.000 8.387) 9.211 4.440 ( 0.617 -0.000 -1.513) 1.634 4.761 ( -0.659 0.000 3.760) 3.818 4.976 ( 2.524 -0.000 -4.190) 4.891 5.659 ( -0.561 0.000 3.294) 3.341 5.691 ( -0.715 0.000 2.512) 2.612 5.724 ( -1.023 0.000 -2.479) 2.682 5.863 ( 1.780 -0.000 -2.433) 3.014 8.995 ( -0.908 0.000 1.566) 1.810 9.082 ( 0.702 -0.000 -1.452) 1.613 9.605 ( 0.504 -0.000 0.994) 1.114 9.631 ( 0.392 -0.000 -1.341) 1.397 10.120 ( -2.415 0.000 0.470) 2.461 10.244 ( 1.018 -0.000 0.195) 1.037 10.331 ( -2.915 0.000 1.627) 3.338 10.414 ( 0.454 -0.000 0.053) 0.458======================= Grid point 190 (64/189) =======================q-point: ( 0.15 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.427 ( 2.962 -1.819 7.407) 8.182 0.445 ( 3.699 -2.939 8.065) 9.347 0.553 ( 1.610 -1.969 -6.553) 7.029 0.694 ( 0.123 -4.844 6.053) 7.754 0.779 ( -0.059 -4.519 1.780) 4.857 0.921 ( 1.059 -4.491 1.652) 4.901 1.230 ( 2.468 1.671 -2.230) 3.722 1.518 ( 5.848 -5.755 -12.287) 14.774 1.616 ( -3.407 0.258 8.893) 9.527 2.070 ( -5.670 -4.396 9.232) 11.691 2.105 ( 0.847 1.608 -10.483) 10.640 2.156 ( -3.762 -0.185 2.273) 4.399 2.288 ( 0.227 -0.590 -4.347) 4.393 2.377 ( -0.895 4.813 -0.474) 4.918 2.699 ( -8.830 1.041 10.785) 13.977 3.094 ( -1.936 0.029 -2.462) 3.132 3.188 ( -5.278 -1.807 3.751) 6.722 3.642 ( 4.628 0.351 -9.776) 10.821 3.811 ( 0.103 -3.014 3.235) 4.422 3.923 ( 1.268 -4.422 -6.001) 7.561 4.309 ( -3.933 -2.366 7.891) 9.129 4.482 ( 0.546 -3.911 -1.813) 4.346 4.767 ( -0.318 0.243 4.336) 4.354 5.021 ( 2.623 -4.144 -5.049) 7.039 5.663 ( -1.711 0.017 3.684) 4.062 5.698 ( 0.577 -0.051 2.051) 2.131 5.712 ( -0.929 -0.217 -2.532) 2.706 5.863 ( 1.775 0.334 -2.412) 3.013 8.995 ( -1.159 -0.123 1.486) 1.889 9.083 ( 0.494 0.093 -1.154) 1.258 9.612 ( 0.405 -0.094 0.958) 1.045 9.630 ( 0.780 0.037 -1.229) 1.456 10.109 ( -1.973 -0.366 0.073) 2.008 10.225 ( -1.526 1.491 2.292) 3.132 10.324 ( 0.873 0.581 -0.058) 1.050 10.407 ( 0.529 1.011 0.026) 1.141======================= Grid point 191 (65/189) =======================q-point: ( 0.23 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.494 ( 2.505 -1.670 1.542) 3.383 0.546 ( 3.019 -3.020 3.869) 5.763 0.622 ( 1.596 -5.451 -0.604) 5.712 0.762 ( 3.608 -3.491 -5.347) 7.334 0.941 ( 0.111 -7.576 6.926) 10.265 1.030 ( 0.801 -5.667 1.340) 5.878 1.223 ( 1.121 -1.009 0.945) 1.779 1.557 ( -3.595 0.309 7.066) 7.934 1.699 ( 3.572 -6.405 -7.203) 10.280 2.018 ( -0.902 2.443 -6.061) 6.597 2.113 ( -5.528 1.107 2.706) 6.254 2.197 ( -2.169 -6.952 1.485) 7.432 2.293 ( 0.298 1.323 -3.311) 3.578 2.318 ( 2.402 -1.204 -3.386) 4.323 2.655 ( -8.466 1.629 10.795) 13.815 3.075 ( -1.332 -0.290 -4.127) 4.347 3.222 ( -5.482 -3.720 5.636) 8.698 3.631 ( 3.674 0.585 -7.566) 8.431 3.859 ( -1.751 -1.662 3.566) 4.306 4.031 ( 2.792 -7.155 -7.012) 10.400 4.369 ( -2.759 -4.069 4.871) 6.921 4.563 ( 0.418 -4.603 -1.457) 4.846 4.778 ( -1.420 -0.163 6.086) 6.252 5.114 ( 2.968 -5.465 -5.219) 8.118 5.665 ( -1.981 -0.258 3.402) 3.946 5.705 ( -0.604 -0.457 -2.338) 2.458 5.713 ( 0.967 -0.280 1.918) 2.166 5.858 ( 1.428 0.440 -2.276) 2.723 8.995 ( -1.196 -0.170 1.143) 1.663 9.073 ( 0.140 0.831 -0.653) 1.066 9.621 ( 0.471 -0.362 0.421) 0.729 9.631 ( 0.746 0.041 -0.484) 0.890 10.109 ( -1.567 -0.758 -0.803) 1.917 10.201 ( -0.778 0.928 2.175) 2.489 10.315 ( 1.247 1.036 -0.192) 1.633 10.386 ( 0.810 1.560 -0.085) 1.760======================= Grid point 192 (66/189) =======================q-point: ( 0.31 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.534 ( 0.974 -1.316 -0.467) 1.702 0.617 ( 2.124 -1.531 3.105) 4.062 0.739 ( 1.964 -5.156 0.998) 5.607 0.856 ( 3.595 -5.617 -4.442) 8.013 1.060 ( 1.793 -2.981 -1.853) 3.941 1.110 ( 5.048 -2.236 -1.271) 5.665 1.337 ( -3.616 -9.311 9.216) 13.590 1.556 ( -5.619 -0.394 10.200) 11.652 1.761 ( 1.854 -0.886 -7.126) 7.416 1.980 ( 2.234 1.391 -9.953) 10.296 2.074 ( -5.639 -1.807 3.513) 6.885 2.268 ( 0.306 -1.361 -0.925) 1.674 2.333 ( 0.415 -5.825 -2.680) 6.425 2.365 ( 1.268 -3.444 -3.049) 4.771 2.608 ( -7.905 1.623 11.013) 13.653 3.062 ( -0.798 -0.489 -4.646) 4.739 3.292 ( -4.173 -4.801 5.359) 8.317 3.616 ( 3.057 0.944 -6.014) 6.812 3.880 ( -3.292 -0.841 5.117) 6.142 4.154 ( 3.002 -6.225 -6.881) 9.753 4.457 ( -0.480 -5.242 0.405) 5.279 4.637 ( 1.057 -3.231 -1.847) 3.868 4.798 ( -3.776 -1.072 9.118) 9.927 5.219 ( 3.432 -5.159 -5.208) 8.094 5.671 ( -2.168 -0.606 2.814) 3.604 5.707 ( -0.297 -0.752 -1.620) 1.811 5.733 ( 1.115 -0.531 1.776) 2.163 5.853 ( 1.022 0.001 -2.071) 2.309 8.995 ( -0.914 -0.189 0.667) 1.147 9.052 ( -0.104 1.198 -0.344) 1.251 9.629 ( 0.738 0.095 -0.451) 0.870 9.638 ( 0.241 -0.528 0.617) 0.847 10.110 ( -1.294 -0.646 -1.372) 1.993 10.194 ( -0.022 0.380 1.679) 1.721 10.301 ( 1.035 1.095 0.074) 1.508 10.360 ( 0.915 1.605 -0.156) 1.854======================= Grid point 193 (67/189) =======================q-point: ( 0.38 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.552 ( -0.430 -0.535 -0.144) 0.701 0.649 ( 1.205 0.056 2.502) 2.778 0.839 ( 2.901 -3.402 1.022) 4.586 0.958 ( 1.927 -3.802 -1.929) 4.679 1.097 ( 3.291 -2.564 -4.629) 6.231 1.200 ( 5.356 -3.460 -2.055) 6.699 1.497 ( -3.925 -4.067 8.235) 9.988 1.576 ( -4.637 -3.314 6.903) 8.952 1.757 ( 0.057 -1.065 -3.521) 3.679 1.928 ( -1.573 -0.367 -5.156) 5.403 2.108 ( -1.388 -1.762 0.815) 2.387 2.322 ( 0.005 -3.968 -0.901) 4.069 2.398 ( 1.270 -2.533 -3.441) 4.458 2.444 ( 1.199 -3.591 -2.456) 4.512 2.576 ( -6.483 0.071 9.619) 11.600 3.050 ( -0.186 -0.177 -5.211) 5.217 3.375 ( -2.353 -4.311 4.093) 6.394 3.595 ( 2.745 1.256 -5.103) 5.929 3.885 ( -4.609 -0.294 6.575) 8.034 4.254 ( 3.381 -4.780 -6.886) 9.039 4.546 ( 0.276 -4.037 -1.684) 4.383 4.692 ( 2.158 -2.723 -2.438) 4.245 4.826 ( -5.483 -1.376 11.412) 12.736 5.306 ( 3.895 -3.358 -6.025) 7.921 5.678 ( -2.483 -0.871 2.388) 3.553 5.714 ( -0.584 -0.301 -0.079) 0.662 5.759 ( 1.253 -0.973 1.334) 2.073 5.862 ( 0.942 -1.020 -1.996) 2.432 8.995 ( -0.478 -0.140 0.195) 0.535 9.029 ( -0.200 0.931 -0.088) 0.956 9.628 ( 0.422 0.282 0.075) 0.513 9.652 ( 0.221 -0.592 0.085) 0.638 10.109 ( -0.915 -0.475 -1.058) 1.477 10.193 ( 0.199 0.355 1.021) 1.099 10.288 ( 0.660 0.999 0.415) 1.267 10.338 ( 0.878 1.228 -0.348) 1.549======================= Grid point 194 (68/189) =======================q-point: ( 0.46 0.08 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.551 ( -1.198 -0.060 0.460) 1.285 0.650 ( 0.681 1.057 1.431) 1.905 0.900 ( 3.145 -0.759 1.089) 3.414 1.018 ( 0.983 -2.507 -0.052) 2.694 1.168 ( 2.414 -3.333 -2.908) 5.039 1.275 ( 3.045 -2.289 -2.419) 4.513 1.495 ( -1.341 1.958 1.511) 2.813 1.601 ( 0.022 0.597 -2.911) 2.972 1.835 ( -3.574 -7.614 5.397) 9.994 1.965 ( -2.039 -4.931 -0.005) 5.336 2.122 ( -0.579 -0.135 1.284) 1.415 2.353 ( -3.767 1.149 4.530) 6.002 2.443 ( 1.816 -2.680 -3.532) 4.791 2.488 ( 1.478 -1.834 -2.468) 3.411 2.598 ( -2.279 -2.402 3.605) 4.895 3.032 ( 0.578 0.284 -6.170) 6.203 3.441 ( -0.923 -2.419 2.558) 3.639 3.573 ( 2.591 0.939 -4.573) 5.339 3.881 ( -5.475 -0.283 7.909) 9.624 4.329 ( 4.674 -3.058 -8.601) 10.256 4.589 ( -1.483 -1.279 0.801) 2.116 4.753 ( 2.876 -2.691 -2.880) 4.879 4.856 ( -5.446 -1.553 11.543) 12.858 5.349 ( 4.256 -0.973 -7.506) 8.683 5.691 ( -2.813 -1.112 3.778) 4.839 5.709 ( -0.859 0.106 -0.241) 0.898 5.789 ( 1.046 -0.767 1.263) 1.810 5.886 ( 1.073 -1.461 -2.096) 2.771 8.994 ( -0.096 0.133 -0.078) 0.182 9.016 ( -0.247 0.273 0.086) 0.379 9.625 ( 0.121 0.289 0.426) 0.529 9.662 ( 0.192 -0.362 -0.451) 0.610 10.112 ( -0.561 -0.612 -0.284) 0.878 10.187 ( 0.274 0.628 0.352) 0.770 10.275 ( 0.159 0.885 0.747) 1.169 10.324 ( 0.747 0.646 -0.666) 1.191======================= Grid point 195 (69/189) =======================q-point: ( 0.54 0.08 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.554 ( -1.288 -1.107 1.169) 2.062 0.631 ( 0.468 1.521 0.404) 1.642 0.922 ( 2.886 0.574 1.041) 3.121 1.058 ( -0.101 -0.745 1.471) 1.652 1.201 ( -0.964 0.046 -1.017) 1.402 1.297 ( -0.583 0.222 -1.710) 1.820 1.454 ( 2.182 1.673 -2.073) 3.444 1.602 ( 3.655 -1.769 -7.417) 8.456 1.957 ( -3.325 -4.188 5.816) 7.901 2.064 ( -1.402 -5.638 3.717) 6.897 2.117 ( -0.504 0.654 2.792) 2.912 2.289 ( -5.306 3.639 6.589) 9.210 2.480 ( 1.974 -1.089 -3.671) 4.308 2.515 ( 1.857 -0.502 -3.161) 3.701 2.642 ( -0.696 -2.095 1.848) 2.879 3.011 ( 1.456 0.117 -7.159) 7.306 3.463 ( -0.156 0.258 1.015) 1.059 3.569 ( 2.208 -0.398 -3.912) 4.510 3.883 ( -5.545 -0.727 9.011) 10.606 4.366 ( 5.969 -0.650 -10.754) 12.316 4.590 ( -2.874 0.410 4.039) 4.974 4.797 ( 2.020 -1.093 -1.649) 2.828 4.892 ( -4.578 -1.662 9.740) 10.890 5.352 ( 4.426 0.430 -8.691) 9.762 5.689 ( -1.888 0.755 3.415) 3.975 5.718 ( -1.769 -1.521 0.938) 2.515 5.806 ( 0.699 -0.024 1.186) 1.377 5.907 ( 1.058 -0.594 -2.215) 2.526 8.990 ( 0.069 0.120 0.013) 0.139 9.013 ( -0.244 0.013 0.007) 0.244 9.622 ( -0.163 0.202 0.636) 0.686 9.664 ( 0.139 -0.005 -0.776) 0.788 10.125 ( -0.246 -1.014 0.394) 1.115 10.176 ( 0.414 0.805 -0.194) 0.926 10.263 ( -0.247 0.599 0.845) 1.064 10.318 ( 0.424 0.206 -0.829) 0.954======================= Grid point 196 (70/189) =======================q-point: (-0.38 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.586 ( -1.257 -2.223 1.650) 3.040 0.607 ( 0.582 1.139 -0.242) 1.302 0.925 ( 2.564 1.129 1.149) 3.028 1.037 ( -1.609 3.279 2.022) 4.175 1.160 ( -3.573 1.821 -0.811) 4.092 1.256 ( -0.990 2.567 -2.249) 3.554 1.456 ( 3.378 -0.356 -2.498) 4.216 1.654 ( 3.898 -3.345 -6.917) 8.615 1.951 ( -1.231 5.234 5.097) 7.409 2.102 ( -1.167 -0.466 2.577) 2.867 2.170 ( -1.814 -0.015 6.823) 7.060 2.237 ( -2.651 -2.072 3.596) 4.925 2.484 ( 1.804 0.772 -3.245) 3.792 2.502 ( 1.891 1.833 -3.721) 4.558 2.673 ( -1.094 -0.840 2.916) 3.225 3.005 ( 2.256 -0.833 -7.322) 7.707 3.447 ( 0.041 1.361 0.636) 1.503 3.581 ( 1.473 -0.731 -3.563) 3.924 3.898 ( -4.686 -0.942 9.184) 10.353 4.358 ( 5.920 1.542 -10.620) 12.256 4.569 ( -2.202 1.461 4.409) 5.140 4.803 ( 1.740 1.182 -2.303) 3.119 4.919 ( -5.307 -1.085 10.020) 11.390 5.337 ( 4.442 1.022 -9.032) 10.116 5.676 ( -1.318 0.554 2.901) 3.234 5.733 ( -1.980 -0.575 1.997) 2.870 5.807 ( 0.502 0.527 0.657) 0.980 5.904 ( 0.964 0.789 -2.272) 2.591 8.992 ( 0.208 -0.145 0.071) 0.263 9.011 ( -0.294 0.018 0.034) 0.297 9.620 ( -0.405 0.010 0.739) 0.842 9.659 ( 0.057 0.400 -0.767) 0.867 10.147 ( 0.163 -1.059 0.462) 1.167 10.163 ( 0.443 0.570 -0.407) 0.829 10.256 ( -0.482 0.095 0.771) 0.914 10.315 ( -0.006 -0.081 -0.763) 0.768======================= Grid point 197 (71/189) =======================q-point: (-0.31 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.577 ( -0.255 1.511 0.583) 1.640 0.640 ( -0.376 -2.553 0.608) 2.651 0.919 ( 1.363 1.953 2.902) 3.754 0.940 ( -1.558 5.364 0.003) 5.585 1.095 ( -3.847 2.184 -1.350) 4.625 1.184 ( 0.484 3.792 -4.003) 5.535 1.474 ( 1.046 -0.128 0.578) 1.202 1.700 ( 0.086 0.784 0.200) 0.814 1.834 ( 0.107 5.233 1.896) 5.566 2.090 ( 1.895 2.987 -3.497) 4.974 2.142 ( -1.449 0.743 6.186) 6.397 2.316 ( -0.224 -3.061 2.552) 3.991 2.441 ( 1.926 3.615 -3.140) 5.161 2.469 ( 1.563 1.510 -3.024) 3.724 2.675 ( -2.432 0.745 5.190) 5.780 3.023 ( 2.724 -1.715 -6.272) 7.050 3.420 ( -0.262 1.869 1.375) 2.335 3.590 ( 1.089 -0.663 -3.473) 3.699 3.914 ( -3.546 -0.279 8.168) 8.909 4.317 ( 4.811 3.022 -8.415) 10.153 4.543 ( -0.189 1.549 2.231) 2.722 4.754 ( 1.413 4.193 -2.892) 5.286 4.930 ( -6.312 -0.257 10.306) 12.088 5.309 ( 4.208 1.896 -8.287) 9.486 5.671 ( -0.562 0.329 2.231) 2.324 5.726 ( -2.163 0.691 2.792) 3.599 5.800 ( 0.308 0.502 -0.194) 0.620 5.878 ( 1.013 1.628 -2.273) 2.974 8.997 ( 0.305 -0.160 0.121) 0.365 9.012 ( -0.247 -0.390 0.140) 0.482 9.622 ( -0.562 -0.239 0.722) 0.946 9.646 ( -0.008 0.738 -0.475) 0.877 10.146 ( 0.950 0.963 -0.660) 1.506 10.177 ( -0.146 -1.214 0.233) 1.245 10.260 ( -0.541 -0.652 0.780) 1.152 10.316 ( -0.351 -0.354 -0.578) 0.763======================= Grid point 198 (72/189) =======================q-point: (-0.23 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.537 ( -0.426 3.088 1.199) 3.339 0.673 ( -0.745 -1.080 -0.641) 1.460 0.803 ( -1.981 7.364 2.118) 7.915 0.908 ( 0.351 1.746 1.548) 2.360 1.027 ( -0.284 2.843 -4.229) 5.103 1.104 ( 0.547 3.006 -3.915) 4.966 1.454 ( -2.848 4.516 6.629) 8.512 1.588 ( -3.855 7.020 8.743) 11.856 1.836 ( 1.980 -1.995 -4.075) 4.950 2.030 ( 5.103 2.435 -9.313) 10.895 2.148 ( -0.564 0.358 4.884) 4.929 2.314 ( 0.395 3.359 -0.996) 3.526 2.393 ( 3.120 2.133 -2.888) 4.757 2.441 ( 0.931 1.379 -2.439) 2.952 2.660 ( -4.213 0.621 8.895) 9.862 3.056 ( 2.785 -1.782 -4.746) 5.784 3.381 ( -0.862 2.639 2.556) 3.774 3.599 ( 1.509 -0.778 -3.758) 4.124 3.912 ( -2.618 1.006 6.364) 6.955 4.251 ( 3.825 4.258 -6.506) 8.665 4.527 ( 1.253 1.141 0.176) 1.704 4.654 ( 1.006 5.892 -2.172) 6.360 4.910 ( -6.875 1.635 9.560) 11.888 5.263 ( 3.915 3.052 -7.075) 8.643 5.666 ( 0.129 0.854 1.385) 1.632 5.707 ( -2.230 0.712 3.332) 4.072 5.790 ( -0.126 0.490 -0.853) 0.992 5.849 ( 1.356 1.254 -2.277) 2.932 9.001 ( -0.003 -0.009 0.596) 0.596 9.026 ( 0.223 -1.023 -0.099) 1.051 9.626 ( -0.450 -0.155 0.390) 0.615 9.630 ( -0.161 0.663 0.043) 0.683 10.130 ( 0.993 1.148 -0.259) 1.540 10.194 ( -0.262 -0.755 -0.560) 0.976 10.279 ( -0.645 -1.349 0.982) 1.789 10.322 ( -0.350 -0.755 -0.472) 0.957======================= Grid point 199 (73/189) =======================q-point: (-0.15 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.461 ( -0.019 5.374 2.353) 5.866 0.640 ( -3.776 5.953 1.105) 7.135 0.676 ( 1.310 3.231 -1.552) 3.816 0.871 ( -1.738 2.180 1.491) 3.161 0.937 ( 2.624 6.049 -3.951) 7.687 1.077 ( 0.419 -0.229 -1.996) 2.053 1.293 ( -4.255 10.502 9.088) 14.526 1.531 ( -4.412 1.163 10.700) 11.632 1.824 ( 3.718 3.787 -8.582) 10.090 2.034 ( 4.274 -3.108 -8.208) 9.762 2.150 ( -0.392 0.622 3.735) 3.807 2.250 ( 0.526 2.642 -0.772) 2.802 2.349 ( 1.248 3.335 -1.402) 3.827 2.398 ( 2.066 2.765 -5.778) 6.730 2.670 ( -5.130 -1.247 11.279) 12.454 3.089 ( 2.331 -1.406 -3.359) 4.323 3.328 ( -1.619 3.136 3.438) 4.927 3.614 ( 2.570 -0.969 -4.834) 5.560 3.887 ( -1.567 2.076 4.231) 4.966 4.161 ( 3.476 5.616 -6.159) 9.031 4.482 ( -1.831 4.948 2.377) 5.787 4.574 ( 3.576 2.144 -2.910) 5.085 4.848 ( -6.874 3.340 8.409) 11.363 5.198 ( 3.703 4.043 -6.469) 8.480 5.653 ( 0.430 0.978 1.436) 1.790 5.695 ( -2.130 0.355 3.293) 3.938 5.775 ( -0.571 0.464 -1.376) 1.560 5.838 ( 1.773 0.205 -2.361) 2.960 9.002 ( -0.332 0.019 1.121) 1.170 9.049 ( 0.555 -1.222 -0.381) 1.395 9.613 ( 0.169 0.837 0.241) 0.887 9.631 ( -0.570 -0.342 0.049) 0.667 10.116 ( 0.924 1.006 0.775) 1.570 10.200 ( -0.207 -0.365 -1.130) 1.205 10.304 ( -1.412 -1.515 1.220) 2.403 10.339 ( 0.259 -1.347 -0.565) 1.484======================= Grid point 200 (74/189) =======================q-point: (-0.08 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.367 ( 1.866 5.878 4.664) 7.732 0.486 ( -1.505 8.381 4.581) 9.669 0.630 ( 0.220 1.737 -5.257) 5.540 0.793 ( -0.555 5.869 -2.737) 6.500 0.841 ( -1.622 4.495 7.194) 8.636 1.029 ( -2.162 6.448 2.944) 7.411 1.176 ( 1.686 0.863 0.360) 1.928 1.533 ( -4.280 -0.416 11.081) 11.887 1.702 ( 5.924 8.070 -11.440) 15.201 2.105 ( -1.048 -2.776 -0.534) 3.015 2.148 ( 0.525 -0.187 -0.619) 0.833 2.213 ( 0.170 2.468 0.744) 2.583 2.297 ( 0.479 0.355 -2.130) 2.212 2.348 ( 2.061 1.100 -6.066) 6.500 2.707 ( -5.946 -2.084 11.146) 12.803 3.114 ( 0.893 -0.926 -1.798) 2.211 3.271 ( -2.160 2.682 2.778) 4.424 3.634 ( 3.730 -1.017 -6.927) 7.933 3.845 ( -0.181 2.897 2.366) 3.744 4.046 ( 2.804 6.480 -5.801) 9.137 4.377 ( -3.373 4.959 5.851) 8.379 4.555 ( 2.862 2.204 -3.553) 5.067 4.774 ( -5.114 2.481 6.888) 8.931 5.117 ( 3.360 4.626 -6.749) 8.845 5.647 ( 0.541 0.520 1.935) 2.076 5.689 ( -2.003 0.031 3.158) 3.740 5.757 ( -0.871 0.352 -1.803) 2.033 5.845 ( 1.910 -0.406 -2.467) 3.146 9.002 ( -0.687 0.180 1.479) 1.641 9.073 ( 0.710 -0.937 -0.790) 1.416 9.603 ( 0.364 0.536 0.491) 0.813 9.632 ( -0.299 -0.187 -0.576) 0.676 10.113 ( 0.533 0.150 2.129) 2.200 10.200 ( 0.389 -0.194 -1.210) 1.286 10.325 ( -2.583 -1.593 1.454) 3.365 10.369 ( 0.748 -1.597 -0.514) 1.837======================= Grid point 203 (75/189) =======================q-point: ( 0.15 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.449 ( 0.929 -0.000 10.367) 10.408 0.475 ( 3.778 -0.000 6.912) 7.877 0.522 ( 1.506 -0.000 -7.410) 7.561 0.654 ( -2.006 0.000 14.298) 14.438 0.763 ( 5.486 -0.000 -6.576) 8.564 0.889 ( 2.624 -0.000 2.075) 3.346 1.260 ( 2.111 -0.000 -1.827) 2.792 1.439 ( 6.223 -0.000 -13.865) 15.197 1.636 ( -3.717 0.000 7.543) 8.409 2.007 ( -6.300 0.000 7.664) 9.921 2.100 ( 0.320 -0.000 -7.649) 7.656 2.138 ( -4.599 0.000 2.299) 5.142 2.270 ( -0.639 0.000 -3.592) 3.649 2.414 ( -2.856 0.000 0.574) 2.913 2.692 ( -7.967 0.000 10.472) 13.158 3.068 ( -2.716 0.000 -4.437) 5.202 3.150 ( -6.285 0.000 5.868) 8.598 3.642 ( 5.487 -0.000 -11.607) 12.839 3.791 ( 0.678 -0.000 4.316) 4.369 3.864 ( 0.191 -0.000 -6.218) 6.221 4.288 ( -4.479 0.000 9.227) 10.257 4.442 ( 1.221 -0.000 -1.567) 1.986 4.785 ( 0.646 -0.000 3.512) 3.571 4.981 ( 2.777 -0.000 -4.171) 5.011 5.664 ( -2.166 0.000 3.913) 4.473 5.696 ( -0.753 0.000 -2.563) 2.671 5.709 ( 0.999 -0.000 1.898) 2.145 5.869 ( 1.666 -0.000 -2.457) 2.969 8.992 ( -1.307 0.000 1.550) 2.027 9.082 ( 0.645 -0.000 -1.168) 1.334 9.618 ( 0.174 -0.000 1.337) 1.348 9.631 ( 1.189 -0.000 -1.608) 2.000 10.091 ( -2.367 0.000 -0.201) 2.376 10.234 ( -3.360 0.000 3.610) 4.932 10.341 ( 2.876 -0.000 -1.360) 3.181 10.419 ( 0.304 -0.000 0.117) 0.326======================= Grid point 204 (76/189) =======================q-point: ( 0.23 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.494 ( 1.786 -0.724 3.230) 3.761 0.532 ( 2.439 -2.348 4.299) 5.472 0.539 ( 1.556 -3.247 -1.710) 3.985 0.746 ( 3.990 -1.547 2.675) 5.046 0.796 ( -0.472 -6.164 4.208) 7.478 0.962 ( 3.931 -3.876 1.224) 5.655 1.243 ( 1.940 1.530 -1.924) 3.132 1.511 ( 6.203 -6.158 -12.665) 15.388 1.621 ( -5.188 0.206 9.065) 10.446 2.045 ( 0.206 1.524 -9.694) 9.816 2.052 ( -6.729 -4.443 9.105) 12.163 2.108 ( -6.347 0.462 2.419) 6.808 2.265 ( 1.414 -0.960 -5.733) 5.983 2.368 ( -0.790 3.003 0.320) 3.122 2.666 ( -7.291 1.231 10.156) 12.563 3.039 ( -2.925 -0.519 -5.204) 5.993 3.150 ( -6.405 -2.003 7.142) 9.800 3.635 ( 4.649 0.253 -9.999) 11.030 3.828 ( -0.558 -1.690 2.672) 3.210 3.900 ( 1.750 -5.479 -6.381) 8.590 4.311 ( -4.221 -2.131 8.330) 9.579 4.480 ( 0.647 -3.460 -1.125) 3.695 4.797 ( 0.668 0.396 3.756) 3.835 5.024 ( 2.765 -3.888 -4.496) 6.555 5.662 ( -2.164 0.056 3.609) 4.209 5.687 ( -0.440 -0.273 -2.390) 2.445 5.722 ( 1.070 -0.096 1.890) 2.174 5.867 ( 1.398 0.381 -2.413) 2.815 8.989 ( -1.364 -0.067 1.358) 1.926 9.081 ( 0.346 0.207 -0.880) 0.968 9.622 ( 0.177 -0.034 0.973) 0.990 9.635 ( 1.256 -0.022 -1.183) 1.726 10.082 ( -2.109 -0.596 -0.570) 2.265 10.218 ( -2.364 0.732 3.349) 4.164 10.345 ( 2.676 0.962 -1.218) 3.093 10.413 ( 0.574 0.840 -0.064) 1.019======================= Grid point 205 (77/189) =======================q-point: ( 0.31 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.521 ( 1.406 -0.989 -0.533) 1.800 0.607 ( 2.906 -2.409 2.365) 4.455 0.645 ( 1.426 -6.115 1.486) 6.452 0.792 ( 6.185 -2.043 -3.722) 7.502 0.965 ( -2.408 -8.126 5.410) 10.055 1.068 ( 4.023 -4.485 0.457) 6.042 1.241 ( 0.700 -1.411 1.343) 2.070 1.554 ( -3.558 0.264 5.662) 6.692 1.695 ( 2.632 -5.878 -5.956) 8.772 1.972 ( -0.004 1.146 -6.125) 6.232 2.048 ( -7.745 1.642 2.957) 8.451 2.180 ( -2.300 -8.154 1.533) 8.610 2.268 ( 0.192 0.058 -4.707) 4.711 2.330 ( 1.622 0.093 -1.476) 2.195 2.628 ( -6.695 1.642 10.100) 12.228 3.021 ( -2.603 -1.084 -4.871) 5.628 3.194 ( -5.575 -4.179 6.974) 9.858 3.626 ( 3.652 0.394 -7.854) 8.670 3.858 ( -1.913 -1.314 3.216) 3.966 4.019 ( 2.860 -7.356 -7.297) 10.749 4.368 ( -2.474 -3.948 4.814) 6.699 4.557 ( -0.460 -4.547 -0.217) 4.575 4.805 ( -0.282 0.323 5.208) 5.226 5.119 ( 2.880 -5.612 -4.662) 7.843 5.661 ( -1.914 -0.141 2.776) 3.375 5.687 ( -0.075 -0.650 -1.653) 1.778 5.738 ( 0.963 -0.260 1.764) 2.026 5.858 ( 0.993 0.518 -2.256) 2.518 8.987 ( -1.193 -0.191 0.957) 1.541 9.070 ( -0.081 0.880 -0.601) 1.069 9.629 ( 0.415 -0.319 0.367) 0.640 9.638 ( 0.840 0.084 -0.401) 0.934 10.082 ( -1.614 -0.896 -0.967) 2.083 10.205 ( -1.093 0.435 2.459) 2.726 10.334 ( 2.059 1.364 -0.669) 2.558 10.395 ( 0.849 1.456 -0.180) 1.695======================= Grid point 206 (78/189) =======================q-point: ( 0.38 0.15 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.542 ( 0.434 -0.628 0.360) 0.844 0.662 ( 2.099 -0.845 2.250) 3.191 0.775 ( 2.595 -5.783 0.942) 6.409 0.881 ( 4.946 -4.602 -4.002) 7.852 1.060 ( 1.125 -2.533 -2.830) 3.961 1.166 ( 4.614 -3.088 -1.077) 5.655 1.350 ( -3.754 -8.796 8.738) 12.954 1.550 ( -5.604 -0.367 9.314) 10.876 1.741 ( 1.947 -0.342 -6.108) 6.420 1.932 ( -0.951 2.748 -6.839) 7.432 2.037 ( -2.637 -4.478 0.993) 5.291 2.258 ( -0.646 -1.507 -1.632) 2.314 2.320 ( 0.294 -6.666 -2.634) 7.174 2.364 ( 1.185 -3.024 -1.960) 3.793 2.589 ( -6.407 1.659 10.360) 12.294 3.013 ( -1.998 -1.203 -4.768) 5.308 3.278 ( -4.006 -5.417 5.947) 8.987 3.614 ( 3.160 0.745 -6.281) 7.071 3.873 ( -3.215 -0.501 4.898) 5.880 4.145 ( 2.987 -6.477 -7.446) 10.311 4.455 ( -0.239 -5.027 0.493) 5.056 4.632 ( -0.402 -3.853 -0.406) 3.895 4.818 ( -2.111 -0.318 8.095) 8.372 5.227 ( 3.147 -5.305 -5.001) 7.940 5.661 ( -1.647 -0.284 1.650) 2.348 5.699 ( -0.200 -0.898 -0.100) 0.925 5.756 ( 0.905 -0.562 1.384) 1.746 5.850 ( 0.720 -0.030 -2.054) 2.176 8.988 ( -0.822 -0.302 0.528) 1.023 9.047 ( -0.257 1.131 -0.410) 1.230 9.637 ( 0.974 0.217 -0.503) 1.118 9.643 ( -0.129 -0.475 0.631) 0.800 10.087 ( -1.005 -0.849 -0.948) 1.622 10.202 ( -0.404 0.208 1.492) 1.560 10.317 ( 1.465 1.370 -0.163) 2.012 10.370 ( 0.853 1.631 -0.213) 1.853======================= Grid point 207 (79/189) =======================q-point: ( 0.46 0.15 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.549 ( -0.561 0.107 1.008) 1.159 0.678 ( 1.145 0.713 1.640) 2.123 0.891 ( 4.179 -3.744 1.043) 5.707 0.971 ( 2.481 -3.140 -2.228) 4.580 1.107 ( 3.407 -3.242 -5.157) 6.980 1.238 ( 2.527 -2.578 -1.768) 4.019 1.499 ( -4.117 -3.400 7.744) 9.406 1.566 ( -3.716 -3.170 6.234) 7.919 1.739 ( 0.266 -1.093 -2.761) 2.982 1.880 ( -1.212 -1.486 -3.869) 4.318 2.098 ( -1.021 -2.290 0.423) 2.543 2.312 ( -0.796 -4.082 -0.592) 4.201 2.394 ( 1.462 -2.641 -3.058) 4.297 2.441 ( 0.871 -3.780 -2.382) 4.552 2.565 ( -5.191 -0.168 8.816) 10.232 3.006 ( -1.225 -0.760 -5.296) 5.489 3.374 ( -2.270 -4.789 4.361) 6.863 3.596 ( 2.979 1.153 -5.258) 6.152 3.871 ( -4.412 -0.017 6.416) 7.786 4.249 ( 3.451 -5.170 -7.877) 10.034 4.538 ( -0.212 -3.563 -0.768) 3.651 4.699 ( 1.386 -3.609 -1.834) 4.279 4.842 ( -3.939 -0.778 10.898) 11.614 5.312 ( 3.624 -3.304 -6.178) 7.888 5.664 ( -1.678 -0.723 1.529) 2.382 5.709 ( -0.956 -0.130 1.266) 1.592 5.780 ( 0.895 -1.004 0.905) 1.621 5.860 ( 0.847 -1.164 -1.959) 2.431 8.991 ( -0.355 -0.284 0.140) 0.476 9.025 ( -0.290 0.828 -0.143) 0.889 9.634 ( 0.493 0.390 0.061) 0.631 9.653 ( -0.061 -0.499 0.041) 0.505 10.095 ( -0.489 -0.730 -0.506) 1.014 10.199 ( -0.092 0.341 0.596) 0.693 10.300 ( 0.761 1.278 0.373) 1.534 10.346 ( 0.750 1.343 -0.398) 1.589======================= Grid point 208 (80/189) =======================q-point: ( 0.54 0.15 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.543 ( -1.075 0.170 1.450) 1.812 0.666 ( 0.609 1.485 0.789) 1.789 0.958 ( 5.144 -0.011 0.781) 5.203 1.029 ( 0.845 -2.723 -0.049) 2.852 1.173 ( 1.447 -2.474 -3.026) 4.168 1.276 ( -0.506 -1.383 -2.146) 2.603 1.493 ( -0.566 1.599 1.229) 2.094 1.591 ( 1.783 0.626 -3.480) 3.960 1.825 ( -3.866 -7.880 5.574) 10.397 1.951 ( -0.117 -6.187 -0.023) 6.189 2.123 ( -1.051 -0.858 2.151) 2.543 2.333 ( -4.490 1.576 5.130) 6.997 2.444 ( 1.983 -2.736 -3.311) 4.731 2.489 ( 1.260 -2.123 -2.599) 3.585 2.597 ( -1.454 -2.704 3.148) 4.397 2.992 ( -0.226 -0.260 -6.403) 6.412 3.446 ( -0.997 -2.526 2.515) 3.701 3.577 ( 2.868 0.953 -4.598) 5.502 3.866 ( -5.246 -0.334 7.963) 9.541 4.327 ( 4.646 -3.404 -9.768) 11.340 4.577 ( -1.861 -1.305 2.066) 3.072 4.769 ( 2.801 -2.874 -3.175) 5.117 4.869 ( -4.829 -1.137 11.727) 12.733 5.351 ( 4.162 -0.781 -7.785) 8.862 5.680 ( -1.864 -1.507 2.224) 3.270 5.701 ( -1.397 0.540 1.848) 2.379 5.805 ( 0.543 -0.740 0.825) 1.234 5.886 ( 1.077 -1.480 -2.048) 2.747 8.993 ( 0.079 0.003 -0.069) 0.105 9.013 ( -0.369 0.245 0.085) 0.451 9.629 ( 0.121 0.403 0.422) 0.595 9.660 ( 0.008 -0.288 -0.446) 0.531 10.107 ( -0.180 -0.843 0.086) 0.866 10.191 ( 0.114 0.598 -0.087) 0.615 10.281 ( 0.070 1.135 0.804) 1.392 10.328 ( 0.608 0.834 -0.711) 1.253======================= Grid point 209 (81/189) =======================q-point: ( 0.62 0.15 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.549 ( -1.137 -1.132 1.859) 2.456 0.640 ( 0.485 1.723 0.158) 1.797 0.976 ( 4.887 1.333 0.511) 5.092 1.066 ( -0.346 -0.224 1.920) 1.963 1.168 ( -3.360 1.527 -0.744) 3.765 1.273 ( -0.997 0.424 -1.821) 2.119 1.473 ( 2.708 0.799 -2.134) 3.539 1.600 ( 4.066 -1.939 -7.827) 9.031 1.954 ( -3.460 -5.216 5.899) 8.601 2.075 ( 0.107 -5.134 1.956) 5.495 2.134 ( -0.643 -0.599 4.749) 4.829 2.263 ( -5.939 3.605 6.803) 9.724 2.482 ( 2.077 -1.017 -3.458) 4.160 2.516 ( 1.712 -0.482 -3.342) 3.785 2.647 ( -0.567 -2.140 2.076) 3.036 2.977 ( 1.059 -0.566 -7.464) 7.560 3.467 ( -0.173 0.235 0.932) 0.976 3.571 ( 2.239 -0.061 -3.995) 4.580 3.875 ( -5.274 -1.151 9.161) 10.633 4.365 ( 5.505 -0.924 -11.254) 12.562 4.586 ( -2.322 0.063 4.531) 5.092 4.810 ( 1.973 -0.814 -2.149) 3.029 4.898 ( -4.829 -1.214 10.113) 11.272 5.351 ( 4.565 0.553 -8.816) 9.943 5.687 ( -1.791 0.586 3.189) 3.705 5.707 ( -1.409 -1.518 1.727) 2.697 5.817 ( 0.105 0.025 0.680) 0.689 5.906 ( 1.137 -0.501 -2.172) 2.503 8.993 ( 0.247 0.069 0.068) 0.266 9.010 ( -0.365 -0.002 0.037) 0.367 9.624 ( -0.203 0.319 0.658) 0.760 9.661 ( 0.125 0.034 -0.715) 0.727 10.126 ( -0.071 -1.169 0.482) 1.266 10.179 ( 0.321 0.724 -0.462) 0.917 10.265 ( -0.329 0.777 0.897) 1.232 10.317 ( 0.346 0.428 -0.875) 1.034======================= Grid point 210 (82/189) =======================q-point: (-0.31 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.582 ( -1.199 -2.042 1.797) 2.972 0.614 ( 0.670 1.057 0.005) 1.251 0.976 ( 4.439 1.870 0.394) 4.833 1.030 ( -2.107 4.241 2.978) 5.594 1.103 ( -4.483 1.854 -0.476) 4.875 1.236 ( 0.377 2.442 -2.810) 3.742 1.479 ( 2.781 -0.157 -2.254) 3.583 1.654 ( 3.344 -3.475 -7.085) 8.570 1.966 ( -2.082 4.927 5.642) 7.774 2.104 ( -1.113 -0.887 2.365) 2.760 2.179 ( -4.102 2.387 5.894) 7.567 2.243 ( -0.109 -5.108 4.090) 6.545 2.486 ( 2.019 0.728 -3.307) 3.943 2.501 ( 1.879 1.943 -3.833) 4.690 2.676 ( -1.765 -0.691 3.358) 3.856 2.984 ( 2.461 -1.647 -7.414) 7.984 3.453 ( 0.117 1.341 0.653) 1.496 3.575 ( 1.365 -0.430 -3.609) 3.882 3.900 ( -4.581 -1.360 9.099) 10.277 4.359 ( 5.052 1.271 -10.042) 11.313 4.577 ( -0.896 1.151 3.769) 4.042 4.807 ( 1.367 1.541 -2.597) 3.314 4.915 ( -5.856 -0.642 10.057) 11.655 5.336 ( 4.769 1.047 -8.838) 10.097 5.680 ( -1.223 0.285 3.146) 3.387 5.725 ( -1.574 -0.499 2.349) 2.871 5.811 ( -0.182 0.606 0.049) 0.635 5.902 ( 1.161 0.861 -2.222) 2.650 8.996 ( 0.342 -0.196 0.153) 0.423 9.007 ( -0.375 -0.001 0.074) 0.382 9.620 ( -0.427 0.113 0.771) 0.889 9.655 ( 0.232 0.403 -0.663) 0.810 10.150 ( -0.131 -1.288 0.355) 1.342 10.166 ( 0.494 0.690 -0.533) 1.002 10.256 ( -0.405 0.181 0.844) 0.954 10.310 ( 0.058 0.104 -0.837) 0.845======================= Grid point 211 (83/189) =======================q-point: (-0.23 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.582 ( -0.080 1.420 1.357) 1.966 0.636 ( -0.544 -2.089 -0.056) 2.160 0.918 ( -2.865 5.746 1.427) 6.578 0.968 ( 3.346 2.713 2.317) 4.891 1.044 ( -2.563 1.636 -1.137) 3.246 1.171 ( 2.196 3.900 -5.024) 6.728 1.490 ( 0.479 0.140 1.277) 1.371 1.696 ( -0.651 0.416 -0.239) 0.809 1.845 ( -0.747 5.638 2.565) 6.239 2.087 ( 1.415 3.178 -3.899) 5.225 2.152 ( -3.280 -0.571 5.787) 6.676 2.335 ( 0.740 -2.163 2.124) 3.120 2.446 ( 2.063 3.089 -2.791) 4.647 2.468 ( 1.800 1.551 -3.583) 4.299 2.672 ( -3.922 0.639 5.801) 7.031 3.019 ( 3.323 -2.284 -6.112) 7.322 3.426 ( -0.308 1.898 1.382) 2.368 3.582 ( 1.200 -0.704 -3.442) 3.713 3.920 ( -3.920 -0.449 7.935) 8.861 4.319 ( 3.974 2.822 -7.520) 8.962 4.561 ( 1.125 1.420 1.234) 2.192 4.750 ( 1.100 4.288 -3.204) 5.465 4.914 ( -7.019 0.147 10.254) 12.427 5.312 ( 4.647 1.869 -7.820) 9.287 5.681 ( -0.398 0.164 2.621) 2.656 5.720 ( -1.860 0.762 3.046) 3.649 5.796 ( -0.387 0.643 -0.941) 1.203 5.878 ( 1.290 1.576 -2.166) 2.973 9.002 ( 0.223 -0.012 0.258) 0.341 9.010 ( -0.186 -0.667 0.123) 0.703 9.620 ( -0.508 -0.138 0.720) 0.892 9.645 ( 0.310 0.712 -0.343) 0.849 10.154 ( 0.870 0.833 -0.340) 1.251 10.172 ( -0.572 -1.067 -0.342) 1.259 10.261 ( -0.346 -0.621 0.935) 1.174 10.309 ( -0.063 -0.275 -0.677) 0.734======================= Grid point 212 (84/189) =======================q-point: (-0.15 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.549 ( 0.334 2.971 2.126) 3.669 0.649 ( -1.691 0.050 -1.738) 2.425 0.795 ( -1.438 6.188 2.069) 6.681 0.926 ( 0.382 3.587 1.650) 3.967 1.017 ( 2.810 1.202 -3.007) 4.287 1.094 ( 2.329 3.461 -4.984) 6.499 1.464 ( -2.965 4.979 7.522) 9.496 1.595 ( -4.407 6.203 8.902) 11.711 1.827 ( 1.161 -1.325 -4.544) 4.874 2.028 ( 4.378 1.832 -9.526) 10.643 2.159 ( -2.791 -0.083 4.703) 5.470 2.314 ( 0.918 3.823 -1.337) 4.152 2.413 ( 2.936 2.287 -2.504) 4.486 2.434 ( 1.085 1.767 -3.580) 4.137 2.656 ( -6.416 -0.064 9.852) 11.757 3.063 ( 3.241 -1.911 -4.692) 6.014 3.384 ( -1.317 2.728 2.606) 3.996 3.595 ( 1.777 -1.006 -3.803) 4.316 3.916 ( -3.339 0.882 6.279) 7.166 4.254 ( 3.267 4.177 -5.995) 8.004 4.544 ( 1.584 1.936 -0.656) 2.586 4.654 ( 1.527 4.985 -2.546) 5.802 4.883 ( -7.507 1.918 9.758) 12.460 5.269 ( 4.278 3.141 -6.608) 8.475 5.680 ( 0.638 0.874 1.710) 2.024 5.702 ( -2.319 0.686 3.635) 4.366 5.776 ( -0.664 0.637 -1.668) 1.905 5.853 ( 1.528 1.098 -2.075) 2.801 9.003 ( -0.245 -0.013 0.694) 0.736 9.028 ( 0.246 -1.152 -0.124) 1.185 9.623 ( -0.423 -0.260 0.419) 0.650 9.632 ( 0.371 0.853 0.078) 0.933 10.142 ( 0.883 0.955 0.290) 1.333 10.182 ( -0.574 -0.734 -1.216) 1.533 10.278 ( -0.659 -1.052 1.052) 1.627 10.318 ( 0.238 -0.886 -0.522) 1.055======================= Grid point 213 (85/189) =======================q-point: (-0.08 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.490 ( 1.340 4.517 3.308) 5.757 0.595 ( -2.292 3.560 -1.504) 4.493 0.692 ( 1.301 5.211 0.674) 5.413 0.856 ( 0.152 3.994 -2.517) 4.724 0.967 ( 4.169 5.273 -0.625) 6.751 1.075 ( 1.172 -0.445 -1.907) 2.282 1.304 ( -3.758 10.216 9.368) 14.361 1.545 ( -4.778 0.896 11.113) 12.130 1.809 ( 2.850 2.944 -8.579) 9.507 2.027 ( 3.753 -2.109 -9.284) 10.233 2.152 ( -3.221 0.043 3.859) 5.026 2.255 ( 0.960 2.079 -0.583) 2.363 2.351 ( 0.520 4.828 -1.371) 5.046 2.385 ( 2.045 2.647 -6.119) 6.974 2.666 ( -7.559 -1.688 11.583) 13.934 3.095 ( 2.078 -1.123 -3.615) 4.318 3.324 ( -2.763 3.400 3.664) 5.711 3.615 ( 2.715 -1.100 -5.026) 5.818 3.891 ( -2.384 1.711 4.538) 5.404 4.162 ( 3.172 5.739 -6.177) 9.008 4.472 ( -1.645 5.331 1.486) 5.773 4.602 ( 3.940 1.903 -3.105) 5.365 4.818 ( -6.954 3.132 9.008) 11.803 5.203 ( 3.724 4.385 -6.101) 8.386 5.670 ( 0.132 0.975 2.154) 2.368 5.692 ( -1.400 0.326 3.073) 3.393 5.754 ( -0.901 0.555 -2.083) 2.336 5.846 ( 1.732 0.131 -2.144) 2.759 9.004 ( -0.639 0.031 1.105) 1.277 9.053 ( 0.391 -1.276 -0.396) 1.392 9.619 ( 0.434 0.763 0.419) 0.973 9.626 ( -0.134 -0.195 -0.127) 0.269 10.132 ( 0.513 0.801 1.020) 1.395 10.187 ( -0.280 -0.623 -1.368) 1.529 10.295 ( -1.089 -1.015 1.004) 1.795 10.342 ( 0.689 -1.527 -0.371) 1.716======================= Grid point 217 (86/189) =======================q-point: ( 0.23 0.23 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.492 ( 0.785 -0.000 -5.903) 5.955 0.518 ( 0.045 -0.000 8.796) 8.796 0.538 ( 2.210 -0.000 2.051) 3.015 0.699 ( -3.744 0.000 10.550) 11.194 0.832 ( 9.522 -0.000 -2.141) 9.760 0.947 ( 4.854 -0.000 1.316) 5.029 1.273 ( 1.920 -0.000 -1.565) 2.477 1.426 ( 6.227 -0.000 -13.788) 15.128 1.629 ( -5.210 0.000 7.582) 9.200 1.971 ( -5.295 0.000 3.467) 6.329 2.049 ( -2.920 0.000 -2.594) 3.906 2.080 ( -7.259 0.000 2.677) 7.736 2.249 ( 1.729 -0.000 -5.372) 5.643 2.387 ( -2.300 0.000 0.589) 2.374 2.672 ( -5.720 0.000 9.485) 11.077 2.993 ( -3.686 0.000 -5.675) 6.767 3.117 ( -6.338 0.000 7.879) 10.112 3.634 ( 5.212 -0.000 -11.344) 12.484 3.823 ( 0.405 -0.000 3.192) 3.217 3.827 ( 0.767 -0.000 -6.789) 6.832 4.292 ( -4.943 0.000 9.965) 11.123 4.449 ( 1.411 -0.000 -1.382) 1.975 4.817 ( 1.078 -0.000 2.903) 3.097 4.989 ( 2.758 -0.000 -4.097) 4.939 5.661 ( -2.178 0.000 3.566) 4.179 5.675 ( -0.156 0.000 -2.216) 2.221 5.734 ( 0.979 -0.000 1.818) 2.064 5.872 ( 1.269 -0.000 -2.451) 2.760 8.984 ( -1.459 0.000 1.450) 2.057 9.083 ( 0.488 -0.000 -0.905) 1.028 9.626 ( -0.335 0.000 1.529) 1.565 9.639 ( 1.787 -0.000 -1.755) 2.505 10.061 ( -2.159 0.000 -0.334) 2.185 10.219 ( -2.753 0.000 3.438) 4.405 10.368 ( 2.970 -0.000 -1.657) 3.401 10.424 ( 0.562 -0.000 -0.173) 0.588======================= Grid point 218 (87/189) =======================q-point: ( 0.31 0.23 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.497 ( 0.456 -1.639 -3.380) 3.784 0.567 ( 0.358 -3.008 5.236) 6.049 0.579 ( 2.604 -2.372 0.117) 3.525 0.789 ( -3.889 -6.771 8.598) 11.615 0.852 ( 8.099 1.125 -0.672) 8.204 1.026 ( 4.969 -3.321 0.817) 6.032 1.255 ( 2.021 1.413 -1.759) 3.029 1.508 ( 6.430 -6.561 -12.495) 15.509 1.607 ( -6.495 0.011 8.882) 11.003 1.988 ( 0.057 1.255 -7.941) 8.040 2.022 ( -7.446 -4.088 7.473) 11.314 2.035 ( -7.713 -0.374 3.324) 8.407 2.249 ( 2.267 -0.526 -6.269) 6.687 2.357 ( -1.038 1.680 -0.064) 1.976 2.653 ( -4.937 1.512 9.018) 10.391 2.964 ( -3.463 -1.082 -5.051) 6.219 3.123 ( -5.894 -2.053 7.845) 10.025 3.627 ( 4.462 0.168 -9.862) 10.826 3.828 ( -0.443 -1.538 -0.648) 1.726 3.888 ( 1.942 -5.421 -4.199) 7.126 4.313 ( -4.377 -2.016 8.752) 9.991 4.482 ( 0.631 -2.916 -0.660) 3.056 4.828 ( 0.731 0.416 3.056) 3.169 5.030 ( 2.670 -3.769 -4.194) 6.239 5.658 ( -1.817 0.081 2.837) 3.370 5.672 ( 0.089 -0.397 -1.457) 1.513 5.746 ( 0.778 -0.078 1.662) 1.837 5.867 ( 1.006 0.449 -2.387) 2.629 8.980 ( -1.341 -0.061 1.232) 1.822 9.079 ( 0.130 0.392 -0.805) 0.905 9.629 ( -0.311 -0.090 1.233) 1.275 9.645 ( 1.670 0.052 -1.401) 2.180 10.054 ( -1.773 -0.669 -0.309) 1.920 10.211 ( -2.009 0.254 2.760) 3.424 10.369 ( 2.526 1.100 -1.285) 3.041 10.420 ( 0.803 0.722 -0.367) 1.140======================= Grid point 219 (88/189) =======================q-point: ( 0.38 0.23 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.527 ( 0.223 -1.576 -0.070) 1.593 0.646 ( 2.806 -2.825 -0.707) 4.044 0.671 ( 0.721 -5.995 2.077) 6.385 0.856 ( 5.813 -1.010 -1.555) 6.101 0.968 ( -1.184 -7.118 3.896) 8.200 1.119 ( 3.090 -3.889 0.555) 4.999 1.259 ( 0.858 -1.492 1.349) 2.187 1.544 ( -3.860 0.317 5.520) 6.743 1.688 ( 2.629 -5.801 -6.165) 8.864 1.939 ( 1.029 0.388 -6.113) 6.211 1.968 ( -8.624 0.785 4.299) 9.668 2.156 ( -2.854 -8.733 0.844) 9.226 2.243 ( 0.774 0.258 -4.445) 4.519 2.336 ( 0.896 -0.278 -1.402) 1.687 2.620 ( -4.899 1.913 9.114) 10.523 2.956 ( -2.581 -1.639 -4.525) 5.461 3.175 ( -5.051 -4.477 7.398) 10.014 3.621 ( 3.717 0.186 -7.821) 8.661 3.853 ( -1.804 -1.283 2.297) 3.190 4.008 ( 2.886 -7.201 -7.220) 10.598 4.370 ( -2.363 -3.940 5.002) 6.792 4.550 ( -0.673 -4.132 0.386) 4.204 4.834 ( -0.225 0.337 4.548) 4.566 5.124 ( 2.643 -5.642 -4.367) 7.608 5.656 ( -1.169 -0.005 1.834) 2.175 5.681 ( 0.038 -0.812 -0.283) 0.861 5.758 ( 0.568 -0.247 1.302) 1.441 5.854 ( 0.701 0.576 -2.230) 2.408 8.979 ( -1.044 -0.232 0.871) 1.379 9.063 ( -0.216 0.937 -0.728) 1.206 9.635 ( -0.289 -0.368 0.921) 1.033 9.647 ( 1.322 0.256 -0.917) 1.629 10.060 ( -1.107 -1.036 -0.289) 1.544 10.205 ( -1.198 0.094 1.780) 2.148 10.354 ( 1.979 1.530 -0.752) 2.612 10.404 ( 0.847 1.398 -0.373) 1.677======================= Grid point 220 (89/189) =======================q-point: ( 0.46 0.23 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.549 ( -0.252 -0.439 1.551) 1.631 0.693 ( 1.536 -0.631 0.351) 1.697 0.805 ( 1.334 -6.912 0.389) 7.050 0.928 ( 6.148 -3.232 -3.079) 7.597 1.059 ( 1.985 -2.723 -2.745) 4.346 1.202 ( 2.020 -2.634 -0.782) 3.410 1.358 ( -3.813 -8.211 8.116) 12.158 1.541 ( -5.005 -0.493 8.500) 9.876 1.730 ( 2.226 -0.324 -5.318) 5.774 1.877 ( -1.983 2.622 -3.874) 5.080 2.019 ( -0.555 -5.461 -1.016) 5.582 2.231 ( -1.622 -2.625 -2.114) 3.741 2.310 ( 1.003 -6.764 -2.485) 7.276 2.366 ( 0.964 -2.645 -1.589) 3.233 2.582 ( -5.338 1.848 9.608) 11.146 2.959 ( -1.599 -1.494 -4.501) 5.005 3.270 ( -3.677 -5.847 6.252) 9.316 3.614 ( 3.403 0.531 -6.231) 7.120 3.864 ( -3.140 -0.323 4.368) 5.389 4.132 ( 3.095 -6.572 -7.996) 10.803 4.456 ( -0.341 -4.726 0.965) 4.836 4.624 ( -0.761 -4.182 0.284) 4.260 4.846 ( -1.738 -0.198 7.439) 7.642 5.231 ( 2.832 -5.338 -4.985) 7.833 5.655 ( -0.743 -0.028 1.317) 1.513 5.698 ( -0.489 -0.833 0.872) 1.302 5.772 ( 0.482 -0.614 0.746) 1.080 5.845 ( 0.612 -0.140 -2.008) 2.103 8.982 ( -0.646 -0.405 0.517) 0.921 9.040 ( -0.272 1.032 -0.555) 1.203 9.643 ( -0.416 -0.410 0.615) 0.848 9.646 ( 0.983 0.341 -0.480) 1.145 10.075 ( -0.429 -1.013 -0.127) 1.108 10.202 ( -0.692 0.055 0.741) 1.016 10.334 ( 1.304 1.586 -0.182) 2.061 10.378 ( 0.712 1.662 -0.331) 1.838======================= Grid point 221 (90/189) =======================q-point: ( 0.54 0.23 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.551 ( -0.719 0.469 2.053) 2.225 0.695 ( 0.489 0.964 0.325) 1.129 0.937 ( 1.662 -5.806 0.421) 6.054 1.002 ( 5.120 -1.199 -1.632) 5.506 1.117 ( 3.788 -3.347 -5.153) 7.218 1.237 ( -0.941 -1.313 -1.459) 2.177 1.496 ( -4.120 -2.800 7.033) 8.618 1.565 ( -3.104 -3.937 6.135) 7.923 1.729 ( 0.960 -0.439 -2.445) 2.663 1.853 ( 0.880 -3.094 -3.491) 4.747 2.086 ( -1.825 -2.655 1.231) 3.449 2.297 ( -0.960 -4.308 -0.461) 4.438 2.395 ( 1.685 -2.752 -2.773) 4.254 2.435 ( 0.743 -3.777 -2.570) 4.628 2.561 ( -4.277 -0.441 8.124) 9.192 2.959 ( -0.552 -0.855 -5.255) 5.353 3.374 ( -2.259 -5.043 4.458) 7.100 3.601 ( 3.302 1.036 -5.134) 6.192 3.858 ( -4.265 0.086 6.135) 7.472 4.238 ( 3.607 -5.401 -8.879) 11.001 4.532 ( -0.678 -3.130 0.492) 3.240 4.703 ( 0.995 -4.359 -1.562) 4.736 4.866 ( -3.386 -0.467 10.311) 10.863 5.315 ( 3.385 -3.270 -6.423) 7.963 5.659 ( -0.800 -0.475 1.630) 1.877 5.705 ( -1.312 0.028 1.732) 2.174 5.792 ( 0.379 -1.043 0.368) 1.169 5.858 ( 0.861 -1.344 -1.858) 2.449 8.989 ( -0.203 -0.425 0.205) 0.514 9.021 ( -0.260 0.737 -0.233) 0.816 9.640 ( 0.407 0.484 0.073) 0.637 9.652 ( -0.201 -0.423 0.043) 0.471 10.091 ( 0.020 -0.846 0.179) 0.865 10.197 ( -0.398 0.227 -0.157) 0.484 10.310 ( 0.489 1.529 0.451) 1.667 10.351 ( 0.612 1.436 -0.482) 1.633======================= Grid point 222 (91/189) =======================q-point: ( 0.62 0.23 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.544 ( -0.831 0.340 2.378) 2.542 0.673 ( 0.075 1.524 -0.039) 1.526 1.031 ( 5.351 0.797 -0.149) 5.413 1.036 ( 0.380 -3.519 0.892) 3.650 1.164 ( 0.030 -0.305 -2.374) 2.394 1.245 ( -1.462 -1.720 -2.510) 3.376 1.491 ( -0.940 0.707 0.714) 1.376 1.600 ( 3.282 1.015 -3.717) 5.061 1.812 ( -3.849 -8.012 5.177) 10.286 1.961 ( 1.809 -6.995 -0.212) 7.229 2.122 ( -2.499 -1.821 3.926) 4.998 2.312 ( -4.174 2.113 5.148) 6.956 2.448 ( 2.013 -2.763 -3.097) 4.612 2.485 ( 1.068 -2.396 -2.954) 3.950 2.603 ( -0.939 -2.888 3.127) 4.359 2.951 ( 0.825 -0.386 -6.661) 6.723 3.448 ( -1.256 -2.553 2.312) 3.666 3.585 ( 3.139 1.074 -4.445) 5.546 3.855 ( -4.960 -0.526 8.080) 9.495 4.317 ( 4.613 -3.622 -10.685) 12.189 4.571 ( -1.948 -1.518 3.181) 4.027 4.779 ( 2.237 -3.112 -3.350) 5.090 4.886 ( -4.650 -0.563 11.555) 12.468 5.351 ( 4.122 -0.753 -8.048) 9.073 5.677 ( -1.298 -1.314 2.603) 3.192 5.696 ( -1.340 0.419 1.912) 2.372 5.812 ( -0.091 -0.695 0.410) 0.812 5.887 ( 1.110 -1.506 -1.929) 2.687 8.995 ( 0.234 -0.154 0.009) 0.281 9.009 ( -0.393 0.267 0.067) 0.480 9.633 ( 0.001 0.506 0.421) 0.658 9.657 ( 0.031 -0.271 -0.392) 0.477 10.108 ( 0.149 -0.865 0.512) 1.016 10.188 ( -0.165 0.406 -0.690) 0.818 10.286 ( -0.203 1.334 0.873) 1.608 10.330 ( 0.561 0.995 -0.742) 1.363======================= Grid point 223 (92/189) =======================q-point: (-0.31 0.23 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.551 ( -0.815 -0.914 2.465) 2.752 0.643 ( 0.071 1.516 -0.163) 1.526 1.036 ( 3.284 1.459 -0.163) 3.597 1.078 ( 0.236 0.122 2.636) 2.650 1.116 ( -3.592 2.738 -0.338) 4.529 1.255 ( 0.104 0.075 -2.135) 2.139 1.486 ( 1.524 -0.151 -2.187) 2.670 1.602 ( 4.629 -1.182 -8.139) 9.438 1.947 ( -3.714 -6.026 5.671) 9.070 2.088 ( 0.635 -3.397 0.677) 3.522 2.159 ( -2.082 -3.016 7.213) 8.091 2.235 ( -5.088 3.927 6.270) 8.979 2.486 ( 2.133 -0.943 -3.425) 4.144 2.514 ( 1.513 -0.612 -3.488) 3.851 2.654 ( -0.797 -1.836 2.482) 3.188 2.949 ( 2.703 -1.019 -7.821) 8.337 3.469 ( -0.484 -0.028 0.854) 0.982 3.573 ( 2.334 0.507 -4.024) 4.680 3.872 ( -4.899 -1.468 9.364) 10.670 4.357 ( 5.138 -1.198 -11.359) 12.525 4.590 ( -1.908 -0.444 4.648) 5.044 4.815 ( 1.404 -0.597 -2.609) 3.022 4.903 ( -5.125 -0.525 10.265) 11.485 5.351 ( 4.718 0.473 -8.852) 10.042 5.686 ( -2.173 0.170 3.778) 4.361 5.707 ( -0.361 -1.248 1.520) 2.000 5.817 ( -0.569 0.118 0.277) 0.644 5.907 ( 1.214 -0.452 -2.058) 2.431 8.997 ( 0.266 0.057 0.157) 0.314 9.005 ( -0.299 -0.046 0.029) 0.304 9.625 ( -0.317 0.396 0.653) 0.827 9.659 ( 0.328 0.016 -0.632) 0.712 10.129 ( -0.050 -1.036 0.617) 1.207 10.177 ( 0.080 0.456 -0.764) 0.893 10.266 ( -0.483 0.844 0.930) 1.346 10.316 ( 0.463 0.624 -0.900) 1.189======================= Grid point 224 (93/189) =======================q-point: (-0.23 0.23 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.580 ( -1.015 -1.654 1.782) 2.634 0.621 ( 0.277 0.781 0.224) 0.858 0.990 ( -3.847 3.766 0.943) 5.465 1.058 ( 3.366 3.193 2.850) 5.445 1.059 ( -0.821 1.633 -0.522) 1.901 1.229 ( 1.658 2.203 -3.248) 4.260 1.494 ( 1.755 -0.239 -1.916) 2.609 1.645 ( 2.837 -3.210 -7.338) 8.497 1.973 ( -2.817 4.540 5.902) 7.961 2.104 ( -1.397 -1.105 2.589) 3.142 2.152 ( -5.233 2.350 4.616) 7.363 2.276 ( 0.139 -5.070 4.973) 7.104 2.490 ( 2.229 0.633 -3.816) 4.465 2.500 ( 1.810 1.951 -3.547) 4.434 2.671 ( -2.628 -0.153 3.454) 4.343 2.977 ( 4.307 -2.204 -7.351) 8.800 3.458 ( -0.090 1.195 0.753) 1.416 3.569 ( 1.493 -0.165 -3.691) 3.985 3.903 ( -4.555 -1.407 9.084) 10.259 4.354 ( 4.634 0.962 -9.568) 10.674 4.593 ( -0.331 0.714 3.178) 3.274 4.803 ( 0.723 1.787 -2.748) 3.357 4.905 ( -6.164 0.002 9.933) 11.690 5.340 ( 4.996 0.882 -8.572) 9.960 5.686 ( -1.512 -0.087 3.746) 4.041 5.725 ( -0.645 -0.309 2.118) 2.236 5.803 ( -0.858 0.764 -0.391) 1.214 5.904 ( 1.292 0.868 -2.119) 2.629 9.000 ( -0.125 -0.288 0.233) 0.391 9.005 ( 0.131 0.042 0.048) 0.146 9.620 ( -0.443 0.158 0.741) 0.878 9.656 ( 0.531 0.360 -0.571) 0.859 10.148 ( -0.524 -1.005 0.209) 1.152 10.168 ( 0.378 0.425 -0.495) 0.754 10.257 ( -0.403 0.111 0.912) 1.003 10.307 ( 0.399 0.252 -0.904) 1.019======================= Grid point 225 (94/189) =======================q-point: (-0.15 0.23 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.589 ( -0.504 0.696 1.579) 1.797 0.627 ( -0.623 -0.900 -0.281) 1.130 0.888 ( -3.404 4.632 1.786) 6.019 1.003 ( -0.561 3.263 0.967) 3.450 1.047 ( 4.441 1.752 0.263) 4.781 1.173 ( 3.784 3.932 -5.595) 7.815 1.502 ( -0.211 0.037 1.799) 1.812 1.681 ( -1.182 -0.021 -0.928) 1.503 1.849 ( -1.576 6.127 3.246) 7.111 2.072 ( 0.017 3.401 -3.519) 4.894 2.141 ( -3.785 -1.377 4.848) 6.302 2.356 ( 0.260 -1.098 2.137) 2.416 2.452 ( 1.383 2.377 -2.408) 3.655 2.469 ( 2.623 1.738 -4.117) 5.182 2.654 ( -5.097 0.829 5.875) 7.822 3.028 ( 4.453 -2.386 -5.862) 7.738 3.430 ( -0.535 2.018 1.585) 2.621 3.575 ( 1.505 -0.825 -3.605) 3.993 3.920 ( -4.425 -0.332 7.839) 9.008 4.319 ( 3.730 2.660 -7.090) 8.441 4.583 ( 1.417 1.308 0.519) 1.997 4.741 ( 0.974 4.122 -3.346) 5.398 4.892 ( -7.385 0.615 10.341) 12.722 5.321 ( 4.853 1.741 -7.418) 9.034 5.693 ( -1.039 -0.195 3.513) 3.669 5.721 ( -0.747 1.076 2.622) 2.931 5.780 ( -0.889 0.783 -1.488) 1.902 5.881 ( 1.373 1.496 -2.074) 2.902 9.003 ( -0.337 -0.085 0.251) 0.429 9.012 ( 0.296 -0.641 0.129) 0.718 9.619 ( -0.376 -0.090 0.635) 0.744 9.649 ( 0.603 0.651 -0.255) 0.923 10.157 ( -0.729 -0.194 -0.483) 0.895 10.165 ( 0.496 -0.060 -0.184) 0.533 10.263 ( -0.355 -0.588 0.977) 1.195 10.307 ( 0.504 -0.275 -0.740) 0.936======================= Grid point 226 (95/189) =======================q-point: (-0.08 0.23 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.566 ( -0.095 2.221 1.931) 2.945 0.619 ( -1.091 1.007 -1.126) 1.864 0.796 ( -0.629 4.604 1.990) 5.055 0.937 ( 1.026 4.247 -0.559) 4.404 1.052 ( 4.132 0.388 -0.830) 4.233 1.099 ( 4.464 4.410 -5.647) 8.442 1.477 ( -3.220 5.019 8.168) 10.114 1.595 ( -4.778 5.160 8.586) 11.098 1.807 ( 0.522 -0.405 -4.663) 4.709 2.013 ( 2.865 1.036 -9.115) 9.611 2.145 ( -3.831 0.065 4.066) 5.587 2.319 ( 1.112 4.026 -1.269) 4.365 2.420 ( 0.776 1.986 -3.300) 3.929 2.433 ( 2.716 2.917 -3.257) 5.147 2.632 ( -7.902 -0.399 10.276) 12.969 3.073 ( 3.194 -1.505 -4.720) 5.895 3.383 ( -1.854 3.123 2.995) 4.708 3.594 ( 2.138 -1.190 -4.130) 4.801 3.911 ( -4.074 0.769 6.352) 7.585 4.255 ( 3.140 4.209 -5.894) 7.894 4.553 ( 1.054 3.298 -1.449) 3.754 4.661 ( 2.420 3.408 -2.628) 4.937 4.854 ( -7.666 2.042 10.273) 12.980 5.281 ( 4.352 3.283 -6.226) 8.275 5.697 ( -2.378 0.795 3.744) 4.506 5.703 ( 0.977 0.748 1.972) 2.324 5.754 ( -0.808 0.751 -2.104) 2.375 5.859 ( 1.409 0.980 -2.003) 2.638 9.003 ( -0.475 -0.019 0.581) 0.751 9.030 ( 0.189 -1.135 -0.096) 1.155 9.622 ( -0.125 -0.199 0.269) 0.358 9.639 ( 0.577 0.786 0.169) 0.990 10.148 ( -0.464 0.460 -0.417) 0.775 10.172 ( 0.299 -0.446 -0.330) 0.630 10.277 ( -0.449 -0.795 0.866) 1.258 10.321 ( 0.758 -1.038 -0.436) 1.357======================= Grid point 231 (96/189) =======================q-point: ( 0.31 0.31 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.465 ( -0.071 0.000 -3.396) 3.396 0.564 ( -1.076 0.000 7.159) 7.240 0.568 ( 3.087 -0.000 -1.956) 3.655 0.711 ( -4.535 0.000 9.329) 10.373 0.940 ( 8.532 -0.000 -0.335) 8.539 1.019 ( 5.380 -0.000 1.031) 5.478 1.288 ( 2.154 -0.000 -1.559) 2.659 1.416 ( 6.289 -0.000 -13.200) 14.622 1.606 ( -6.286 0.000 7.239) 9.588 1.926 ( -3.798 0.000 0.565) 3.840 1.997 ( -9.329 0.000 3.723) 10.045 2.000 ( -3.847 0.000 0.681) 3.907 2.241 ( 3.034 -0.000 -6.297) 6.990 2.363 ( -1.674 0.000 -0.331) 1.707 2.671 ( -3.981 0.000 8.045) 8.976 2.915 ( -3.386 0.000 -4.455) 5.595 3.095 ( -5.484 0.000 7.769) 9.510 3.624 ( 4.883 -0.000 -10.814) 11.865 3.798 ( 1.808 -0.000 -6.837) 7.072 3.842 ( -0.061 0.000 1.956) 1.956 4.296 ( -5.152 0.000 10.427) 11.630 4.458 ( 1.287 -0.000 -1.053) 1.663 4.845 ( 0.697 -0.000 2.106) 2.218 4.996 ( 2.566 -0.000 -3.995) 4.748 5.658 ( -1.896 0.000 3.113) 3.645 5.665 ( 0.531 -0.000 -1.520) 1.611 5.755 ( 0.521 -0.000 1.542) 1.627 5.869 ( 0.953 -0.000 -2.416) 2.597 8.976 ( -1.350 0.000 1.324) 1.891 9.081 ( 0.167 -0.000 -0.936) 0.951 9.629 ( -0.773 0.000 1.549) 1.731 9.652 ( 2.077 -0.000 -1.770) 2.730 10.037 ( -1.583 0.000 0.265) 1.605 10.208 ( -2.188 0.000 2.444) 3.280 10.391 ( 2.339 -0.000 -1.431) 2.742 10.430 ( 0.915 -0.000 -0.576) 1.081======================= Grid point 232 (97/189) =======================q-point: ( 0.38 0.31 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.483 ( -0.101 -2.506 -1.335) 2.841 0.597 ( -0.217 -2.478 3.795) 4.538 0.607 ( 2.848 -2.602 -1.541) 4.154 0.785 ( -4.841 -6.602 7.263) 10.944 0.951 ( 7.474 1.978 0.320) 7.738 1.085 ( 3.563 -2.201 0.602) 4.231 1.273 ( 2.606 1.228 -1.626) 3.308 1.508 ( 6.402 -6.753 -12.102) 15.266 1.579 ( -6.919 -0.507 8.262) 10.789 1.941 ( -9.626 0.322 4.386) 10.583 1.947 ( 0.760 0.515 -6.210) 6.277 1.994 ( -5.620 -5.229 6.035) 9.765 2.240 ( 2.879 0.077 -6.268) 6.898 2.343 ( -0.775 0.830 -0.912) 1.457 2.655 ( -3.756 1.610 7.595) 8.624 2.897 ( -2.423 -1.381 -3.881) 4.779 3.106 ( -5.074 -2.101 7.796) 9.537 3.619 ( 4.473 0.025 -9.590) 10.582 3.816 ( 0.582 -2.121 -2.828) 3.583 3.887 ( 1.296 -4.555 -2.725) 5.464 4.316 ( -4.449 -1.972 9.037) 10.264 4.486 ( 0.546 -2.434 -0.364) 2.521 4.852 ( 0.169 0.282 2.333) 2.356 5.035 ( 2.436 -3.708 -4.020) 5.987 5.656 ( -1.301 0.025 2.406) 2.735 5.669 ( 0.462 -0.446 -0.589) 0.871 5.762 ( 0.235 -0.042 1.234) 1.257 5.862 ( 0.801 0.514 -2.356) 2.541 8.972 ( -1.138 -0.082 1.160) 1.627 9.073 ( -0.092 0.524 -1.024) 1.154 9.630 ( -0.788 -0.166 1.358) 1.579 9.657 ( 1.886 0.169 -1.504) 2.418 10.037 ( -1.046 -0.728 0.616) 1.415 10.202 ( -1.795 -0.004 1.706) 2.477 10.389 ( 1.956 1.079 -1.127) 2.502 10.428 ( 0.920 0.707 -0.677) 1.344======================= Grid point 233 (98/189) =======================q-point: ( 0.46 0.31 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.530 ( -0.212 -2.146 1.260) 2.498 0.670 ( 2.510 -2.932 -2.155) 4.420 0.686 ( -0.232 -5.482 1.650) 5.730 0.887 ( 0.338 -4.245 -0.628) 4.304 1.009 ( 4.086 -3.371 2.792) 5.988 1.146 ( 0.244 -3.228 1.386) 3.522 1.279 ( 0.954 -1.039 0.868) 1.657 1.532 ( -3.734 0.029 5.696) 6.811 1.680 ( 2.970 -5.776 -7.174) 9.677 1.891 ( -6.756 0.857 3.142) 7.500 1.926 ( 0.745 -1.630 -2.925) 3.430 2.122 ( -2.320 -7.863 -0.965) 8.254 2.232 ( 1.305 -0.394 -2.990) 3.286 2.335 ( 0.716 -0.827 -1.909) 2.200 2.620 ( -4.312 2.128 8.053) 9.380 2.906 ( -0.983 -1.826 -3.777) 4.308 3.165 ( -4.489 -4.677 7.595) 9.985 3.618 ( 4.031 -0.060 -7.743) 8.729 3.844 ( -1.657 -1.255 1.607) 2.628 3.997 ( 2.938 -6.892 -7.095) 10.319 4.374 ( -2.404 -3.973 5.309) 7.054 4.545 ( -0.589 -3.687 0.449) 3.761 4.856 ( -0.774 0.033 4.153) 4.225 5.127 ( 2.372 -5.602 -4.272) 7.434 5.657 ( -0.609 -0.020 1.891) 1.987 5.682 ( 0.101 -0.773 0.287) 0.831 5.768 ( 0.015 -0.236 0.709) 0.747 5.847 ( 0.655 0.604 -2.206) 2.379 8.973 ( -0.801 -0.278 0.890) 1.229 9.055 ( -0.215 0.914 -0.993) 1.367 9.635 ( -0.727 -0.370 1.029) 1.313 9.658 ( 1.413 0.389 -0.989) 1.768 10.053 ( -0.351 -1.111 0.765) 1.393 10.198 ( -1.314 -0.119 0.754) 1.520 10.371 ( 1.474 1.581 -0.663) 2.261 10.411 ( 0.704 1.395 -0.575) 1.665======================= Grid point 234 (99/189) =======================q-point: ( 0.54 0.31 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.558 ( -0.536 -0.353 2.531) 2.611 0.704 ( 0.701 -0.375 -1.182) 1.424 0.812 ( -0.190 -7.336 -0.202) 7.342 0.974 ( 4.400 -4.460 -3.957) 7.410 1.084 ( 4.145 -1.512 -0.866) 4.497 1.205 ( -0.751 -1.805 -0.293) 1.977 1.360 ( -4.164 -7.715 7.570) 11.583 1.537 ( -4.459 -0.433 7.907) 9.088 1.725 ( 2.473 -1.069 -5.060) 5.732 1.842 ( -0.297 1.754 -2.185) 2.818 2.006 ( -0.250 -5.159 -1.539) 5.390 2.199 ( -0.837 -4.144 -2.595) 4.961 2.311 ( 1.411 -6.314 -2.004) 6.773 2.367 ( 0.984 -2.480 -1.988) 3.327 2.579 ( -5.023 1.887 9.005) 10.483 2.922 ( 0.221 -1.357 -4.102) 4.326 3.267 ( -3.446 -6.070 6.477) 9.522 3.618 ( 3.797 0.309 -6.160) 7.243 3.852 ( -3.162 -0.239 3.931) 5.051 4.119 ( 3.410 -6.487 -8.375) 11.129 4.459 ( -0.625 -4.401 1.675) 4.750 4.617 ( -0.673 -4.402 0.161) 4.457 4.870 ( -2.116 -0.437 7.266) 7.581 5.232 ( 2.570 -5.301 -5.118) 7.804 5.660 ( -0.155 0.101 1.674) 1.684 5.697 ( -0.706 -0.586 1.139) 1.463 5.777 ( -0.024 -0.703 0.139) 0.717 5.840 ( 0.698 -0.289 -1.948) 2.089 8.979 ( -0.426 -0.479 0.609) 0.885 9.033 ( -0.151 0.897 -0.743) 1.175 9.641 ( -0.540 -0.452 0.575) 0.909 9.654 ( 0.799 0.534 -0.411) 1.044 10.076 ( 0.228 -1.034 0.813) 1.335 10.194 ( -0.957 -0.082 -0.223) 0.986 10.346 ( 0.789 1.726 -0.060) 1.899 10.383 ( 0.490 1.664 -0.482) 1.801======================= Grid point 235 (100/189) =======================q-point: ( 0.62 0.31 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.559 ( -0.588 0.601 2.870) 2.991 0.694 ( -0.318 0.936 -0.837) 1.295 0.941 ( -0.544 -6.430 -0.473) 6.471 1.058 ( 4.486 -1.748 -1.709) 5.109 1.139 ( 4.648 -2.728 -3.805) 6.597 1.202 ( -2.699 0.148 -1.406) 3.047 1.488 ( -3.980 -2.112 6.150) 7.624 1.563 ( -4.085 -5.389 6.451) 9.346 1.732 ( 2.091 0.571 -2.603) 3.387 1.858 ( 3.438 -4.429 -3.421) 6.568 2.068 ( -3.111 -2.953 2.534) 4.982 2.286 ( -0.054 -4.451 -0.573) 4.488 2.399 ( 1.736 -2.669 -2.382) 3.976 2.426 ( 0.714 -3.612 -2.984) 4.739 2.564 ( -3.600 -0.949 7.670) 8.526 2.930 ( 1.475 -0.586 -5.221) 5.457 3.375 ( -2.394 -5.028 4.444) 7.124 3.611 ( 3.633 0.931 -5.019) 6.266 3.846 ( -4.175 -0.040 6.060) 7.360 4.225 ( 3.993 -5.407 -9.537) 11.667 4.528 ( -1.079 -2.865 1.651) 3.478 4.703 ( 0.730 -4.810 -1.823) 5.196 4.889 ( -3.565 -0.378 10.084) 10.703 5.313 ( 3.182 -3.276 -6.701) 8.109 5.665 ( -0.418 -0.235 2.253) 2.303 5.699 ( -1.134 0.108 1.443) 1.838 5.795 ( -0.243 -1.060 0.028) 1.088 5.857 ( 0.928 -1.509 -1.760) 2.497 8.989 ( -0.069 -0.530 0.338) 0.633 9.016 ( -0.127 0.661 -0.357) 0.761 9.645 ( 0.222 0.508 0.089) 0.561 9.649 ( -0.205 -0.349 0.058) 0.409 10.098 ( 0.499 -0.770 0.881) 1.272 10.187 ( -0.688 0.054 -0.966) 1.187 10.317 ( -0.004 1.711 0.558) 1.800 10.355 ( 0.466 1.442 -0.563) 1.616======================= Grid point 236 (101/189) =======================q-point: (-0.31 -0.69 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.554 ( -0.403 0.468 3.087) 3.148 0.667 ( -0.564 1.285 -0.773) 1.602 1.030 ( -1.338 -3.272 0.302) 3.548 1.082 ( 0.301 0.310 0.270) 0.509 1.156 ( 1.824 2.005 -0.903) 2.856 1.220 ( 1.094 -3.131 -3.574) 4.876 1.478 ( -1.459 0.316 0.040) 1.493 1.620 ( 3.342 0.973 -3.160) 4.701 1.798 ( -3.314 -7.811 4.170) 9.454 1.989 ( 2.992 -6.986 -0.619) 7.625 2.111 ( -4.395 -2.757 6.064) 7.981 2.300 ( -2.944 2.669 4.724) 6.173 2.453 ( 1.896 -2.813 -2.931) 4.483 2.477 ( 0.945 -2.612 -3.337) 4.341 2.614 ( -0.678 -2.878 3.400) 4.506 2.931 ( 3.268 -0.316 -6.934) 7.672 3.444 ( -1.604 -2.490 2.048) 3.601 3.596 ( 3.234 1.299 -4.330) 5.559 3.849 ( -4.606 -0.900 8.400) 9.622 4.305 ( 4.850 -3.674 -11.090) 12.649 4.569 ( -2.170 -1.802 3.874) 4.792 4.780 ( 1.559 -3.212 -3.486) 4.990 4.902 ( -4.758 -0.037 11.306) 12.266 5.349 ( 4.033 -0.902 -8.257) 9.233 5.677 ( -2.145 -0.642 3.643) 4.276 5.698 ( 0.296 -0.206 1.042) 1.102 5.809 ( -0.766 -0.629 0.189) 1.009 5.888 ( 1.100 -1.538 -1.817) 2.622 8.999 ( 0.255 -0.354 0.117) 0.451 9.005 ( -0.272 0.381 -0.009) 0.468 9.634 ( -0.210 0.587 0.416) 0.750 9.656 ( 0.204 -0.329 -0.359) 0.528 10.117 ( 0.369 -0.641 0.954) 1.207 10.178 ( -0.412 0.110 -1.218) 1.291 10.287 ( -0.541 1.437 0.875) 1.767 10.332 ( 0.534 1.058 -0.725) 1.390======================= Grid point 237 (102/189) =======================q-point: (-0.23 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.560 ( -0.457 -0.455 2.741) 2.815 0.639 ( -0.428 1.040 -0.440) 1.208 1.019 ( -5.083 2.140 0.776) 5.569 1.073 ( -1.214 0.153 0.591) 1.359 1.143 ( 4.780 2.025 1.057) 5.298 1.249 ( 1.387 -0.120 -2.401) 2.775 1.480 ( -0.028 -1.247 -2.449) 2.749 1.609 ( 5.044 0.190 -7.953) 9.420 1.936 ( -3.718 -6.523 5.157) 9.108 2.099 ( 0.507 -1.879 0.290) 1.968 2.163 ( -6.140 -2.489 9.799) 11.829 2.229 ( -1.583 2.163 4.660) 5.376 2.490 ( 2.101 -0.852 -3.572) 4.231 2.509 ( 1.335 -0.907 -3.468) 3.825 2.658 ( -1.165 -1.109 2.689) 3.134 2.947 ( 5.288 -1.347 -7.913) 9.613 3.466 ( -0.911 -0.428 0.728) 1.243 3.577 ( 2.421 1.087 -3.930) 4.742 3.875 ( -4.577 -1.589 9.566) 10.723 4.347 ( 5.237 -1.419 -11.284) 12.521 4.596 ( -2.123 -0.981 4.643) 5.199 4.811 ( 0.773 -0.405 -2.752) 2.887 4.905 ( -5.173 0.219 10.146) 11.391 5.352 ( 4.701 0.203 -8.852) 10.025 5.682 ( -2.425 -0.356 3.899) 4.606 5.719 ( 0.700 -0.837 1.483) 1.842 5.807 ( -1.223 0.246 0.122) 1.254 5.909 ( 1.199 -0.456 -1.970) 2.351 8.998 ( -0.315 0.136 0.168) 0.382 9.006 ( 0.332 -0.159 0.018) 0.369 9.624 ( -0.419 0.409 0.619) 0.852 9.661 ( 0.543 -0.052 -0.598) 0.809 10.132 ( -0.133 -0.614 0.791) 1.010 10.171 ( -0.107 0.067 -0.937) 0.946 10.265 ( -0.615 0.788 0.897) 1.343 10.317 ( 0.616 0.710 -0.867) 1.279======================= Grid point 238 (103/189) =======================q-point: (-0.15 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.578 ( -0.952 -0.973 1.441) 1.982 0.624 ( -0.158 0.346 0.386) 0.542 0.939 ( -4.754 3.045 1.273) 5.787 1.048 ( -0.830 2.040 0.911) 2.383 1.132 ( 5.087 2.841 1.213) 5.951 1.236 ( 2.951 1.862 -3.383) 4.860 1.496 ( 0.355 -0.876 -1.682) 1.930 1.630 ( 2.633 -2.308 -7.539) 8.313 1.973 ( -3.311 3.975 5.910) 7.854 2.101 ( -3.253 -0.941 4.768) 5.848 2.118 ( -3.352 2.581 2.124) 4.734 2.303 ( -1.362 -4.672 5.460) 7.314 2.490 ( 2.110 0.967 -4.494) 5.058 2.502 ( 1.912 1.368 -2.965) 3.784 2.658 ( -2.712 0.633 2.977) 4.077 2.994 ( 5.727 -2.301 -7.031) 9.355 3.460 ( -0.436 0.857 0.873) 1.299 3.565 ( 1.818 0.111 -3.744) 4.164 3.904 ( -4.759 -1.099 9.068) 10.300 4.351 ( 4.830 0.692 -9.435) 10.622 4.607 ( -0.733 0.191 2.899) 2.997 4.791 ( 0.328 1.870 -2.451) 3.101 4.894 ( -5.909 0.747 9.645) 11.336 5.347 ( 4.939 0.568 -8.396) 9.757 5.689 ( -2.032 -0.473 4.107) 4.607 5.738 ( 0.555 -0.076 1.820) 1.904 5.786 ( -1.440 0.968 -0.518) 1.811 5.906 ( 1.284 0.833 -2.066) 2.571 8.997 ( -0.399 -0.196 0.148) 0.469 9.010 ( 0.385 -0.067 0.078) 0.399 9.619 ( -0.389 0.135 0.676) 0.791 9.660 ( 0.699 0.283 -0.567) 0.943 10.141 ( -0.746 -0.444 0.167) 0.884 10.169 ( 0.212 -0.025 -0.345) 0.406 10.258 ( -0.412 -0.024 0.895) 0.986 10.308 ( 0.743 0.284 -0.889) 1.193======================= Grid point 239 (104/189) =======================q-point: (-0.08 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.584 ( -1.306 0.039 0.262) 1.332 0.623 ( -0.161 0.083 0.979) 0.996 0.866 ( -1.899 3.022 1.812) 4.003 1.002 ( 0.047 2.606 0.213) 2.615 1.109 ( 4.419 2.964 0.173) 5.324 1.195 ( 5.406 3.670 -5.148) 8.318 1.507 ( -0.959 -0.430 1.984) 2.246 1.656 ( -1.418 -0.499 -1.753) 2.309 1.848 ( -2.364 6.690 4.021) 8.155 2.040 ( -2.274 3.365 -1.768) 4.430 2.128 ( -2.226 -1.093 2.814) 3.751 2.367 ( -1.018 -0.637 2.668) 2.926 2.449 ( 1.268 2.330 -3.121) 4.096 2.477 ( 2.481 1.600 -3.398) 4.501 2.628 ( -4.828 1.343 5.349) 7.330 3.047 ( 4.258 -1.950 -5.738) 7.407 3.433 ( -0.804 2.155 1.951) 3.016 3.572 ( 1.922 -0.925 -3.920) 4.462 3.912 ( -5.022 -0.057 7.816) 9.290 4.320 ( 3.992 2.615 -7.150) 8.596 4.599 ( 0.721 1.293 0.039) 1.481 4.734 ( 1.436 3.599 -3.060) 4.937 4.869 ( -7.145 1.119 10.606) 12.837 5.333 ( 4.736 1.523 -7.241) 8.785 5.698 ( -2.162 -0.218 4.263) 4.784 5.736 ( 0.358 1.242 2.150) 2.509 5.757 ( -0.796 0.723 -1.776) 2.076 5.885 ( 1.291 1.449 -2.050) 2.823 9.000 ( -0.363 -0.229 0.121) 0.445 9.016 ( 0.192 -0.452 0.138) 0.510 9.619 ( -0.176 -0.108 0.531) 0.570 9.655 ( 0.664 0.564 -0.279) 0.914 10.140 ( -1.055 -0.153 -0.708) 1.280 10.173 ( 0.512 -0.130 0.306) 0.610 10.265 ( -0.245 -0.567 0.864) 1.062 10.311 ( 0.883 -0.356 -0.692) 1.177======================= Grid point 245 (105/189) =======================q-point: ( 0.38 0.38 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.452 ( -0.115 0.000 -0.268) 0.291 0.586 ( -2.035 0.000 5.670) 6.024 0.594 ( 3.902 -0.000 -3.325) 5.126 0.708 ( -5.248 0.000 8.147) 9.691 1.026 ( 5.572 -0.000 -0.602) 5.605 1.086 ( 4.076 -0.000 1.117) 4.226 1.307 ( 2.550 -0.000 -1.538) 2.978 1.411 ( 6.403 -0.000 -12.318) 13.883 1.569 ( -6.726 0.000 6.397) 9.282 1.890 ( -2.277 0.000 0.118) 2.280 1.908 ( -9.174 0.000 5.028) 10.461 1.965 ( -2.763 0.000 1.324) 3.064 2.241 ( 3.667 -0.000 -6.411) 7.386 2.342 ( -0.907 0.000 -1.433) 1.696 2.672 ( -3.549 0.000 6.441) 7.354 2.858 ( -1.733 0.000 -2.937) 3.410 3.083 ( -4.547 0.000 7.614) 8.868 3.616 ( 5.004 -0.000 -10.610) 11.730 3.784 ( 2.749 -0.000 -5.898) 6.507 3.846 ( -0.640 0.000 0.745) 0.982 4.300 ( -5.240 0.000 10.572) 11.799 4.467 ( 1.026 -0.000 -0.691) 1.237 4.860 ( -0.037 0.000 1.313) 1.314 5.000 ( 2.318 -0.000 -3.907) 4.543 5.655 ( -1.610 0.000 2.744) 3.181 5.668 ( 1.015 -0.000 -0.667) 1.214 5.766 ( -0.109 0.000 1.103) 1.108 5.865 ( 0.860 -0.000 -2.386) 2.536 8.969 ( -1.072 0.000 1.271) 1.663 9.074 ( -0.079 0.000 -1.275) 1.277 9.627 ( -1.037 0.000 1.436) 1.771 9.666 ( 2.037 -0.000 -1.663) 2.630 10.027 ( -0.720 0.000 1.410) 1.583 10.195 ( -1.944 0.000 1.259) 2.316 10.407 ( 1.610 -0.000 -1.165) 1.988 10.438 ( 0.976 -0.000 -0.904) 1.330======================= Grid point 246 (106/189) =======================q-point: ( 0.46 0.38 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.481 ( 0.025 -2.764 1.031) 2.950 0.609 ( -2.088 -2.342 4.231) 5.268 0.632 ( 3.817 -2.383 -3.489) 5.694 0.766 ( -4.991 -6.133 5.817) 9.817 1.029 ( 4.577 1.128 0.207) 4.718 1.120 ( 1.448 -0.755 1.000) 1.915 1.295 ( 2.341 1.247 -1.432) 3.014 1.508 ( 5.822 -6.118 -11.305) 14.111 1.548 ( -5.635 -1.994 6.624) 8.923 1.859 ( -8.491 0.247 5.540) 10.141 1.929 ( 2.259 -0.180 -5.026) 5.513 1.970 ( -4.003 -5.267 5.106) 8.357 2.239 ( 3.160 0.559 -5.667) 6.512 2.327 ( -0.261 0.267 -1.945) 1.980 2.654 ( -3.804 1.543 6.256) 7.483 2.858 ( -0.230 -1.537 -2.684) 3.101 3.099 ( -4.315 -2.085 7.835) 9.184 3.614 ( 4.888 -0.172 -9.772) 10.928 3.809 ( 1.042 -1.924 -2.287) 3.165 3.883 ( 1.007 -4.361 -3.105) 5.447 4.320 ( -4.514 -1.991 9.142) 10.388 4.490 ( 0.432 -2.037 -0.215) 2.093 4.862 ( -0.594 0.018 1.784) 1.880 5.038 ( 2.202 -3.656 -3.938) 5.807 5.656 ( -1.311 -0.201 2.535) 2.861 5.676 ( 0.965 -0.303 -0.164) 1.025 5.767 ( -0.409 -0.000 0.739) 0.845 5.857 ( 0.852 0.565 -2.336) 2.550 8.968 ( -0.834 -0.107 1.192) 1.459 9.064 ( -0.115 0.541 -1.398) 1.504 9.627 ( -1.031 -0.214 1.247) 1.632 9.670 ( 1.730 0.269 -1.381) 2.230 10.037 ( -0.169 -0.738 1.833) 1.983 10.188 ( -1.743 -0.146 0.540) 1.831 10.402 ( 1.263 1.012 -0.929) 1.866 10.433 ( 0.743 0.753 -0.914) 1.398======================= Grid point 247 (107/189) =======================q-point: ( 0.54 0.38 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.540 ( -0.137 -2.291 2.334) 3.274 0.676 ( -0.224 -4.155 -0.552) 4.198 0.688 ( 0.097 -3.290 -0.718) 3.369 0.876 ( -0.589 -6.235 -0.907) 6.328 1.080 ( 3.837 -2.791 2.624) 5.422 1.145 ( -2.104 -2.144 2.196) 3.722 1.289 ( -0.170 -0.349 0.382) 0.545 1.527 ( -3.144 -0.432 5.846) 6.651 1.666 ( 2.985 -5.569 -8.258) 10.397 1.844 ( -4.879 -1.291 4.894) 7.030 1.925 ( 2.151 -1.258 -3.028) 3.921 2.096 ( 0.197 -6.628 -2.343) 7.032 2.233 ( 1.035 -1.110 -1.489) 2.126 2.331 ( 1.082 -1.313 -2.853) 3.322 2.615 ( -4.526 2.079 7.266) 8.809 2.886 ( 1.402 -1.725 -3.063) 3.784 3.162 ( -4.039 -4.745 7.822) 10.001 3.620 ( 4.527 -0.345 -8.047) 9.239 3.834 ( -1.743 -0.986 1.651) 2.595 3.989 ( 3.229 -6.683 -7.069) 10.250 4.379 ( -2.551 -4.039 5.666) 7.411 4.541 ( -0.440 -3.268 0.099) 3.299 4.869 ( -1.516 -0.472 4.099) 4.396 5.127 ( 2.177 -5.508 -4.322) 7.332 5.663 ( -0.895 -0.319 2.349) 2.534 5.688 ( 0.550 -0.416 0.394) 0.795 5.767 ( -0.581 -0.250 0.185) 0.659 5.842 ( 0.860 0.609 -2.191) 2.431 8.971 ( -0.523 -0.308 1.005) 1.174 9.046 ( -0.022 0.809 -1.277) 1.511 9.631 ( -0.871 -0.414 0.909) 1.325 9.668 ( 1.146 0.531 -0.847) 1.521 10.062 ( 0.410 -1.065 1.849) 2.173 10.182 ( -1.436 -0.254 -0.314) 1.492 10.382 ( 0.795 1.582 -0.492) 1.838 10.413 ( 0.387 1.400 -0.756) 1.637======================= Grid point 248 (108/189) =======================q-point: (-0.38 -0.62 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.570 ( -0.430 -0.283 3.187) 3.228 0.696 ( -0.328 -0.095 -1.980) 2.010 0.799 ( -1.596 -7.466 -0.309) 7.641 0.989 ( 3.185 -5.963 -4.942) 8.374 1.128 ( 1.078 -0.200 0.826) 1.373 1.194 ( 0.610 -1.274 -0.637) 1.549 1.351 ( -4.949 -7.700 7.142) 11.609 1.530 ( -4.900 0.207 7.551) 9.004 1.727 ( 3.185 -2.475 -4.883) 6.334 1.842 ( 1.906 0.856 -1.069) 2.347 1.992 ( -0.138 -4.140 -1.913) 4.562 2.184 ( 1.339 -5.002 -2.586) 5.788 2.316 ( 1.094 -5.991 -1.486) 6.269 2.367 ( 1.667 -2.439 -2.837) 4.096 2.575 ( -5.008 1.574 8.811) 10.256 2.913 ( 2.556 -0.982 -3.823) 4.703 3.268 ( -3.330 -6.047 6.634) 9.574 3.627 ( 4.159 0.067 -6.405) 7.637 3.838 ( -3.184 -0.213 3.935) 5.067 4.109 ( 3.929 -6.291 -8.441) 11.237 4.463 ( -0.943 -4.099 2.428) 4.857 4.609 ( -0.584 -4.520 -0.470) 4.582 4.888 ( -2.741 -0.837 7.451) 7.983 5.229 ( 2.412 -5.204 -5.349) 7.843 5.669 ( -0.678 -0.054 2.326) 2.423 5.697 ( -0.053 -0.147 0.811) 0.826 5.773 ( -0.613 -0.830 -0.182) 1.048 5.838 ( 0.935 -0.399 -1.917) 2.170 8.979 ( -0.230 -0.508 0.751) 0.935 9.028 ( 0.093 0.760 -0.919) 1.196 9.638 ( -0.537 -0.546 0.472) 0.900 9.660 ( 0.479 0.703 -0.292) 0.899 10.090 ( 0.807 -0.900 1.651) 2.046 10.176 ( -1.133 -0.207 -1.104) 1.595 10.352 ( 0.125 1.815 0.099) 1.822 10.384 ( 0.198 1.590 -0.618) 1.717======================= Grid point 249 (109/189) =======================q-point: (-0.31 -0.62 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.574 ( -0.186 0.572 3.466) 3.518 0.678 ( -1.067 0.774 -1.480) 1.982 0.923 ( -1.889 -6.632 -0.328) 6.903 1.081 ( 1.623 -1.458 -2.494) 3.313 1.134 ( -2.502 -2.868 -2.616) 4.618 1.203 ( 4.657 0.516 -1.904) 5.058 1.478 ( -3.736 -1.290 5.223) 6.551 1.548 ( -5.032 -6.956 6.684) 10.881 1.746 ( 2.958 1.270 -2.671) 4.183 1.889 ( 4.852 -4.978 -3.299) 7.694 2.046 ( -3.288 -3.041 3.292) 5.558 2.288 ( 0.890 -4.304 -0.493) 4.423 2.403 ( 1.108 -2.727 -2.611) 3.935 2.417 ( 1.195 -2.960 -2.613) 4.125 2.572 ( -2.909 -1.677 7.388) 8.115 2.929 ( 3.921 -0.257 -5.298) 6.596 3.372 ( -2.562 -4.758 4.306) 6.910 3.624 ( 3.668 0.852 -5.182) 6.406 3.836 ( -3.880 -0.380 6.461) 7.547 4.215 ( 4.571 -5.241 -9.686) 11.924 4.526 ( -1.470 -2.637 2.454) 3.891 4.697 ( 0.435 -5.066 -2.281) 5.573 4.908 ( -3.966 -0.389 10.101) 10.859 5.307 ( 3.024 -3.295 -6.978) 8.288 5.671 ( -1.457 0.001 2.786) 3.144 5.701 ( 0.457 -0.037 0.922) 1.030 5.787 ( -0.910 -1.060 -0.052) 1.398 5.858 ( 0.991 -1.593 -1.706) 2.536 8.991 ( -0.034 -0.553 0.445) 0.711 9.013 ( 0.103 0.597 -0.465) 0.764 9.647 ( -0.003 0.571 0.115) 0.582 9.647 ( -0.177 -0.406 0.033) 0.444 10.114 ( 0.860 -0.510 1.470) 1.778 10.169 ( -0.807 -0.159 -1.564) 1.768 10.317 ( -0.535 1.808 0.592) 1.977 10.355 ( 0.259 1.336 -0.586) 1.482======================= Grid point 250 (110/189) =======================q-point: (-0.23 -0.62 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.573 ( 0.067 0.663 3.440) 3.504 0.650 ( -1.103 0.898 -1.169) 1.841 1.003 ( -3.788 -2.340 1.099) 4.586 1.053 ( -3.036 0.282 -0.636) 3.115 1.180 ( 1.850 -1.343 -1.984) 3.027 1.235 ( 4.203 -1.367 -2.433) 5.045 1.458 ( -1.588 0.533 -0.329) 1.707 1.639 ( 2.494 0.129 -1.959) 3.174 1.787 ( -1.911 -6.933 2.658) 7.667 2.023 ( 3.278 -6.317 -1.207) 7.218 2.095 ( -5.214 -3.149 7.528) 9.684 2.299 ( -2.037 2.989 4.346) 5.655 2.456 ( 1.535 -3.148 -2.867) 4.526 2.467 ( 1.152 -2.474 -3.494) 4.433 2.629 ( -0.721 -2.550 3.720) 4.567 2.942 ( 5.747 -0.312 -7.079) 9.123 3.435 ( -1.837 -2.361 1.810) 3.497 3.606 ( 2.930 1.473 -4.340) 5.439 3.852 ( -4.056 -1.254 8.875) 9.838 4.295 ( 5.326 -3.596 -11.058) 12.790 4.566 ( -2.631 -1.986 4.188) 5.329 4.773 ( 1.057 -3.249 -3.510) 4.898 4.915 ( -4.863 0.377 11.083) 12.109 5.343 ( 3.871 -1.158 -8.424) 9.343 5.672 ( -2.213 -0.302 3.160) 3.869 5.716 ( 1.162 -0.582 1.420) 1.925 5.796 ( -1.375 -0.554 0.182) 1.493 5.890 ( 1.012 -1.559 -1.773) 2.569 8.999 ( -0.269 -0.072 0.035) 0.281 9.005 ( 0.339 0.084 0.040) 0.352 9.633 ( -0.393 0.616 0.431) 0.849 9.657 ( 0.299 -0.438 -0.403) 0.666 10.129 ( 0.453 -0.196 1.295) 1.386 10.164 ( -0.401 -0.237 -1.471) 1.543 10.284 ( -0.806 1.413 0.799) 1.812 10.334 ( 0.406 0.993 -0.669) 1.264======================= Grid point 251 (111/189) =======================q-point: (-0.15 -0.62 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.573 ( -0.267 0.284 2.563) 2.592 0.628 ( -0.763 0.417 -0.547) 1.028 0.958 ( -5.088 2.032 0.911) 5.554 1.063 ( -1.334 -0.506 1.083) 1.792 1.196 ( 2.561 0.576 0.040) 2.626 1.262 ( 3.389 0.256 -2.088) 3.989 1.456 ( -0.988 -1.692 -2.696) 3.333 1.622 ( 5.060 1.401 -7.482) 9.141 1.925 ( -3.109 -6.595 4.618) 8.630 2.104 ( -0.200 -1.076 0.674) 1.286 2.148 ( -6.191 -0.438 9.789) 11.591 2.243 ( -1.321 0.131 4.461) 4.654 2.491 ( 1.883 -0.679 -3.839) 4.330 2.504 ( 1.418 -1.340 -3.224) 3.768 2.660 ( -1.213 -0.267 2.576) 2.860 2.973 ( 6.652 -1.385 -7.674) 10.250 3.457 ( -1.116 -0.803 0.612) 1.505 3.581 ( 2.328 1.387 -3.763) 4.638 3.883 ( -4.413 -1.345 9.673) 10.717 4.342 ( 5.701 -1.571 -11.183) 12.650 4.596 ( -2.835 -1.419 4.663) 5.639 4.801 ( 0.597 -0.310 -2.580) 2.666 4.908 ( -4.949 0.835 9.938) 11.134 5.352 ( 4.511 -0.166 -8.886) 9.966 5.678 ( -2.186 -0.646 3.566) 4.232 5.741 ( 1.216 -0.624 1.606) 2.108 5.789 ( -1.771 0.378 0.253) 1.829 5.911 ( 1.088 -0.500 -1.964) 2.300 8.994 ( -0.336 0.118 0.073) 0.363 9.010 ( 0.336 -0.145 0.033) 0.368 9.623 ( -0.445 0.358 0.601) 0.829 9.664 ( 0.559 -0.152 -0.659) 0.878 10.135 ( -0.221 -0.024 0.898) 0.925 10.164 ( -0.047 -0.316 -0.877) 0.933 10.263 ( -0.644 0.628 0.824) 1.220 10.319 ( 0.604 0.643 -0.803) 1.193======================= Grid point 252 (112/189) =======================q-point: (-0.08 0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.574 ( -1.092 -0.069 0.937) 1.440 0.623 ( -0.285 -0.231 0.510) 0.628 0.900 ( -2.660 1.796 1.429) 3.513 1.047 ( -0.455 1.838 1.121) 2.200 1.188 ( 2.890 2.223 0.197) 3.652 1.261 ( 4.337 1.591 -2.723) 5.362 1.480 ( -0.985 -2.017 -1.754) 2.849 1.615 ( 2.921 -0.706 -7.458) 8.041 1.969 ( -3.568 3.391 5.785) 7.596 2.080 ( -5.022 2.971 5.971) 8.349 2.108 ( -0.487 -0.135 0.782) 0.931 2.313 ( -2.975 -4.272 5.880) 7.853 2.485 ( 1.917 1.138 -4.373) 4.908 2.507 ( 1.985 0.894 -2.943) 3.661 2.646 ( -1.972 1.349 2.353) 3.353 3.019 ( 5.262 -1.844 -6.859) 8.840 3.459 ( -0.590 0.387 0.976) 1.204 3.565 ( 2.096 0.362 -3.764) 4.323 3.902 ( -5.160 -0.511 9.010) 10.396 4.352 ( 5.402 0.510 -9.610) 11.036 4.610 ( -1.802 -0.281 2.941) 3.461 4.783 ( 0.634 1.751 -1.850) 2.625 4.886 ( -5.231 1.400 9.386) 10.836 5.352 ( 4.687 0.194 -8.386) 9.609 5.690 ( -2.124 -0.675 4.016) 4.593 5.760 ( 1.062 0.029 0.525) 1.185 5.763 ( -1.760 1.164 0.847) 2.274 5.908 ( 1.180 0.775 -2.087) 2.520 8.993 ( -0.296 -0.178 0.069) 0.352 9.014 ( 0.209 -0.065 0.036) 0.222 9.619 ( -0.287 0.053 0.627) 0.691 9.665 ( 0.615 0.185 -0.658) 0.920 10.133 ( -0.730 0.139 0.229) 0.778 10.170 ( 0.200 -0.429 -0.172) 0.503 10.259 ( -0.330 -0.176 0.840) 0.919 10.313 ( 0.802 0.180 -0.832) 1.170======================= Grid point 259 (113/189) =======================q-point: ( 0.46 0.46 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.457 ( -0.228 0.000 1.945) 1.958 0.592 ( -2.180 0.000 5.007) 5.461 0.620 ( 3.724 -0.000 -3.279) 4.962 0.686 ( -6.116 0.000 6.719) 9.085 1.065 ( 1.825 -0.000 -1.484) 2.352 1.130 ( 1.565 -0.000 1.408) 2.105 1.326 ( 1.348 -0.000 -0.869) 1.604 1.414 ( 6.552 -0.000 -11.588) 13.313 1.530 ( -5.062 0.000 4.708) 6.913 1.847 ( -6.377 0.000 6.163) 8.868 1.875 ( -0.781 0.000 1.284) 1.503 1.950 ( -0.585 0.000 0.455) 0.741 2.248 ( 3.882 -0.000 -5.843) 7.015 2.321 ( -0.390 0.000 -2.454) 2.485 2.665 ( -3.779 0.000 5.220) 6.444 2.836 ( 0.708 -0.000 -1.755) 1.892 3.081 ( -3.780 0.000 7.667) 8.548 3.610 ( 5.594 -0.000 -11.275) 12.586 3.790 ( 3.302 -0.000 -3.961) 5.157 3.836 ( -1.264 0.000 -0.395) 1.324 4.303 ( -5.318 0.000 10.421) 11.700 4.474 ( 0.759 -0.000 -0.355) 0.838 4.862 ( -0.789 0.000 0.779) 1.109 5.002 ( 2.106 -0.000 -3.838) 4.378 5.653 ( -1.466 0.000 2.448) 2.854 5.680 ( 1.143 -0.000 0.086) 1.146 5.766 ( -0.761 0.000 0.695) 1.030 5.861 ( 1.009 -0.000 -2.364) 2.570 8.966 ( -0.734 0.000 1.353) 1.539 9.064 ( -0.005 0.000 -1.671) 1.671 9.622 ( -1.176 0.000 1.218) 1.693 9.679 ( 1.701 -0.000 -1.452) 2.236 10.037 ( 0.161 -0.000 2.651) 2.656 10.176 ( -1.860 0.000 0.089) 1.862 10.416 ( 0.930 -0.000 -0.944) 1.325 10.441 ( 0.646 -0.000 -1.114) 1.288======================= Grid point 260 (114/189) =======================q-point: (-0.46 -0.54 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.490 ( -0.519 -2.966 1.660) 3.439 0.606 ( -2.716 -1.682 4.622) 5.619 0.650 ( 2.428 -1.734 -3.621) 4.692 0.741 ( -4.225 -6.490 4.712) 9.065 1.060 ( 0.243 -0.377 0.046) 0.451 1.138 ( 0.062 0.205 1.515) 1.530 1.303 ( -0.083 1.490 -0.996) 1.794 1.507 ( 5.460 -5.042 -9.868) 12.354 1.528 ( -3.127 -3.449 3.765) 5.987 1.813 ( -4.829 0.356 6.002) 7.712 1.938 ( 3.470 0.291 -3.410) 4.874 1.965 ( -1.385 -6.128 4.049) 7.475 2.243 ( 2.894 1.034 -4.578) 5.514 2.311 ( 0.409 -0.275 -3.072) 3.111 2.643 ( -4.115 1.423 5.519) 7.030 2.857 ( 2.347 -1.595 -1.901) 3.415 3.101 ( -3.747 -1.994 8.007) 9.063 3.612 ( 5.528 -0.406 -10.638) 11.995 3.810 ( 0.138 -0.990 -0.364) 1.063 3.875 ( 1.811 -4.880 -4.188) 6.681 4.323 ( -4.625 -2.097 9.081) 10.404 4.494 ( 0.346 -1.669 -0.205) 1.717 4.861 ( -1.335 -0.339 1.611) 2.120 5.038 ( 2.038 -3.595 -3.917) 5.694 5.655 ( -1.436 -0.353 2.309) 2.742 5.689 ( 1.079 -0.213 0.414) 1.175 5.762 ( -1.013 0.052 0.406) 1.093 5.854 ( 1.112 0.593 -2.319) 2.640 8.968 ( -0.525 -0.117 1.352) 1.455 9.054 ( 0.162 0.482 -1.705) 1.779 9.621 ( -1.123 -0.267 1.014) 1.537 9.681 ( 1.304 0.350 -1.148) 1.772 10.056 ( 0.589 -0.680 2.919) 3.055 10.166 ( -1.731 -0.226 -0.530) 1.825 10.408 ( 0.609 0.963 -0.738) 1.357 10.433 ( 0.299 0.790 -1.077) 1.369======================= Grid point 261 (115/189) =======================q-point: (-0.38 -0.54 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.554 ( -0.154 -2.636 2.150) 3.406 0.659 ( -2.711 -4.906 1.327) 5.760 0.676 ( -0.710 -1.389 -2.003) 2.538 0.867 ( 0.344 -7.029 -1.297) 7.156 1.117 ( -3.460 -4.770 4.196) 7.233 1.136 ( 0.728 -0.469 1.266) 1.534 1.278 ( -1.492 0.009 -0.385) 1.541 1.526 ( -3.828 -0.238 6.643) 7.670 1.653 ( 4.300 -5.856 -9.130) 11.668 1.835 ( -1.560 -2.713 4.552) 5.524 1.939 ( 2.970 -0.346 -2.518) 3.909 2.102 ( 3.377 -5.715 -2.562) 7.116 2.235 ( 0.193 -1.462 -0.459) 1.545 2.327 ( 1.903 -1.794 -3.816) 4.627 2.604 ( -4.670 1.825 7.143) 8.728 2.899 ( 3.741 -1.436 -2.769) 4.870 3.166 ( -3.694 -4.669 8.055) 10.016 3.624 ( 4.962 -0.640 -8.800) 10.123 3.822 ( -2.061 -0.717 2.032) 2.982 3.987 ( 3.804 -6.520 -6.804) 10.162 4.384 ( -2.782 -4.183 6.023) 7.844 4.535 ( -0.275 -2.799 -0.514) 2.859 4.873 ( -2.257 -1.086 4.395) 5.058 5.125 ( 2.089 -5.370 -4.464) 7.289 5.663 ( -1.497 -0.574 2.193) 2.716 5.702 ( 0.970 -0.122 0.764) 1.241 5.757 ( -1.130 -0.272 -0.036) 1.163 5.841 ( 1.194 0.607 -2.185) 2.562 8.973 ( -0.297 -0.299 1.188) 1.260 9.039 ( 0.351 0.690 -1.459) 1.651 9.625 ( -0.881 -0.515 0.693) 1.233 9.675 ( 0.700 0.660 -0.631) 1.150 10.085 ( 0.978 -0.917 2.657) 2.976 10.159 ( -1.463 -0.356 -1.170) 1.907 10.385 ( 0.125 1.594 -0.309) 1.629 10.410 ( -0.036 1.355 -0.892) 1.623======================= Grid point 262 (116/189) =======================q-point: (-0.31 -0.54 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.588 ( -0.108 -0.384 3.422) 3.445 0.671 ( -1.480 -0.065 -2.062) 2.539 0.771 ( -2.746 -7.623 0.078) 8.102 0.994 ( 2.779 -6.504 -5.138) 8.742 1.105 ( -4.050 0.830 0.428) 4.156 1.219 ( 2.716 -1.255 -1.094) 3.186 1.331 ( -5.569 -8.458 7.076) 12.354 1.515 ( -5.135 0.757 7.383) 9.025 1.742 ( 4.128 -3.430 -4.528) 7.022 1.870 ( 3.154 0.184 -0.361) 3.180 1.983 ( 1.214 -3.043 -2.675) 4.230 2.196 ( 2.685 -4.725 -1.850) 5.740 2.316 ( 0.575 -5.489 -1.764) 5.794 2.374 ( 2.657 -2.731 -3.118) 4.923 2.572 ( -4.774 0.961 9.088) 10.311 2.934 ( 4.663 -0.579 -3.865) 6.085 3.271 ( -3.193 -5.764 6.641) 9.356 3.635 ( 4.130 -0.143 -6.955) 8.090 3.826 ( -2.896 -0.382 4.369) 5.255 4.108 ( 4.513 -6.039 -8.134) 11.091 4.467 ( -1.219 -3.811 3.059) 5.037 4.596 ( -0.578 -4.516 -1.227) 4.716 4.899 ( -3.369 -1.299 7.786) 8.582 5.223 ( 2.357 -5.049 -5.631) 7.922 5.669 ( -1.637 -0.275 2.067) 2.651 5.709 ( 0.901 0.131 1.013) 1.362 5.761 ( -1.122 -0.941 -0.162) 1.473 5.838 ( 1.160 -0.416 -1.921) 2.282 8.982 ( -0.131 -0.463 0.865) 0.990 9.024 ( 0.421 0.668 -1.001) 1.275 9.634 ( -0.508 -0.685 0.298) 0.904 9.662 ( 0.096 0.833 -0.131) 0.849 10.115 ( 1.181 -0.671 2.152) 2.545 10.153 ( -1.092 -0.339 -1.632) 1.993 10.350 ( -0.519 1.886 0.199) 1.967 10.380 ( -0.115 1.425 -0.672) 1.579======================= Grid point 263 (117/189) =======================q-point: (-0.23 -0.54 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.599 ( 0.265 0.478 3.733) 3.773 0.650 ( -1.767 0.499 -1.529) 2.390 0.893 ( -2.870 -6.758 0.369) 7.352 1.051 ( -4.352 1.754 -0.888) 4.776 1.106 ( 2.316 -5.359 -5.447) 7.985 1.238 ( 2.186 -0.562 -1.607) 2.771 1.465 ( -3.370 -0.739 4.586) 5.739 1.533 ( -4.176 -7.999 6.894) 11.355 1.768 ( 3.336 1.637 -2.629) 4.552 1.929 ( 4.946 -4.874 -3.220) 7.654 2.034 ( -1.837 -2.736 3.142) 4.554 2.299 ( 1.055 -3.913 -0.251) 4.060 2.392 ( 0.794 -3.121 -3.714) 4.916 2.423 ( 1.302 -1.845 -1.098) 2.511 2.588 ( -2.276 -2.254 7.174) 7.856 2.956 ( 5.819 -0.040 -5.464) 7.982 3.368 ( -2.534 -4.315 4.059) 6.443 3.632 ( 3.061 0.782 -5.451) 6.300 3.836 ( -3.076 -0.828 7.117) 7.797 4.213 ( 5.141 -4.986 -9.402) 11.819 4.523 ( -1.809 -2.289 2.810) 4.050 4.685 ( 0.218 -5.278 -2.550) 5.866 4.922 ( -4.345 -0.472 10.125) 11.028 5.297 ( 2.921 -3.291 -7.240) 8.472 5.666 ( -1.674 0.024 2.140) 2.717 5.719 ( 0.996 -0.265 1.365) 1.710 5.773 ( -1.276 -1.009 0.067) 1.628 5.859 ( 0.958 -1.566 -1.732) 2.524 8.993 ( -0.102 -0.429 0.402) 0.597 9.013 ( 0.362 0.516 -0.432) 0.764 9.645 ( -0.302 0.092 0.074) 0.324 9.647 ( -0.144 -0.004 0.044) 0.151 10.137 ( 1.030 -0.105 1.795) 2.072 10.149 ( -0.619 -0.438 -1.813) 1.966 10.311 ( -0.952 1.801 0.548) 2.110 10.353 ( -0.016 1.160 -0.539) 1.279======================= Grid point 264 (118/189) =======================q-point: (-0.15 -0.54 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.598 ( 0.341 1.038 3.301) 3.477 0.626 ( -1.453 0.400 -1.161) 1.902 0.955 ( -4.913 -0.197 1.556) 5.157 1.016 ( -2.214 -2.531 -0.820) 3.461 1.180 ( 1.160 -2.732 -3.118) 4.305 1.264 ( 1.857 -1.425 -1.676) 2.878 1.441 ( -0.571 1.182 -0.350) 1.358 1.657 ( 1.724 -1.021 -0.569) 2.083 1.787 ( -0.068 -5.583 1.223) 5.716 2.053 ( 3.127 -5.377 -1.956) 6.521 2.084 ( -4.566 -2.939 8.082) 9.737 2.303 ( -1.825 3.125 4.026) 5.413 2.451 ( 1.042 -3.700 -3.257) 5.038 2.464 ( 1.677 -1.999 -2.996) 3.973 2.643 ( -0.931 -1.990 3.929) 4.502 2.976 ( 6.734 -0.237 -7.008) 9.722 3.424 ( -1.726 -2.209 1.672) 3.264 3.611 ( 2.261 1.392 -4.284) 5.040 3.864 ( -3.426 -1.263 9.157) 9.858 4.293 ( 5.830 -3.447 -10.739) 12.696 4.558 ( -3.067 -1.989 4.185) 5.556 4.763 ( 0.953 -3.369 -3.311) 4.818 4.926 ( -4.924 0.626 10.859) 11.940 5.335 ( 3.709 -1.430 -8.567) 9.444 5.666 ( -1.714 -0.326 2.636) 3.161 5.741 ( 1.089 -0.747 1.741) 2.185 5.779 ( -1.605 -0.407 0.296) 1.682 5.890 ( 0.858 -1.567 -1.839) 2.564 8.996 ( -0.198 0.108 -0.069) 0.236 9.010 ( 0.284 -0.034 0.085) 0.299 9.631 ( -0.502 0.586 0.485) 0.911 9.657 ( 0.202 -0.563 -0.508) 0.784 10.142 ( 0.178 0.199 0.663) 0.715 10.153 ( 0.178 -0.415 -0.674) 0.811 10.278 ( -0.945 1.258 0.706) 1.725 10.333 ( 0.172 0.837 -0.604) 1.047======================= Grid point 265 (119/189) =======================q-point: (-0.08 -0.54 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.585 ( -0.394 1.242 2.018) 2.402 0.615 ( -0.761 -0.289 -0.460) 0.935 0.914 ( -3.013 1.128 1.169) 3.423 1.054 ( -1.507 -1.343 1.329) 2.417 1.208 ( 0.336 -0.792 -0.991) 1.312 1.292 ( 2.264 -0.391 -1.590) 2.794 1.430 ( 0.088 -0.919 -2.699) 2.852 1.636 ( 4.809 2.279 -7.089) 8.864 1.922 ( -1.939 -6.216 4.348) 7.830 2.103 ( -1.421 -0.700 2.199) 2.711 2.142 ( -4.090 0.635 8.095) 9.091 2.251 ( -2.090 -0.184 4.300) 4.785 2.487 ( 1.621 -0.666 -3.731) 4.122 2.502 ( 1.715 -1.589 -3.257) 4.010 2.663 ( -1.014 0.349 2.466) 2.689 3.003 ( 5.890 -0.929 -7.444) 9.538 3.448 ( -0.880 -1.091 0.613) 1.530 3.585 ( 2.047 1.334 -3.637) 4.381 3.891 ( -4.476 -0.682 9.593) 10.608 4.343 ( 6.257 -1.667 -11.076) 12.830 4.587 ( -3.463 -1.642 4.703) 6.067 4.795 ( 1.010 -0.437 -2.310) 2.558 4.912 ( -4.758 1.202 9.849) 11.003 5.348 ( 4.308 -0.534 -8.973) 9.968 5.675 ( -1.821 -0.757 3.230) 3.785 5.767 ( 1.193 -0.137 0.609) 1.347 5.768 ( -1.984 0.096 1.565) 2.528 5.910 ( 0.943 -0.575 -2.053) 2.331 8.991 ( -0.196 0.113 0.016) 0.227 9.014 ( 0.139 -0.113 0.004) 0.179 9.622 ( -0.429 0.257 0.622) 0.798 9.665 ( 0.370 -0.261 -0.762) 0.887 10.138 ( -0.169 0.469 0.790) 0.934 10.160 ( 0.196 -0.505 -0.589) 0.800 10.260 ( -0.610 0.386 0.766) 1.052 10.320 ( 0.417 0.476 -0.750) 0.982======================= Grid point 273 (120/189) =======================q-point: (-0.46 -0.46 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.455 ( -2.505 0.000 1.480) 2.909 0.609 ( -0.403 0.000 6.033) 6.046 0.631 ( -0.891 0.000 -2.845) 2.982 0.651 ( -4.032 0.000 5.593) 6.895 1.054 ( -1.580 0.000 -1.932) 2.496 1.141 ( -1.423 0.000 1.713) 2.227 1.321 ( -1.944 0.000 0.670) 2.057 1.421 ( 6.594 -0.000 -11.365) 13.140 1.513 ( -1.483 0.000 2.238) 2.685 1.836 ( -1.760 0.000 6.399) 6.636 1.887 ( -0.120 0.000 3.961) 3.963 1.958 ( 2.568 -0.000 -1.743) 3.103 2.261 ( 3.749 -0.000 -4.738) 6.042 2.300 ( -0.002 0.000 -3.287) 3.287 2.649 ( -3.966 0.000 4.898) 6.302 2.853 ( 3.448 -0.000 -1.241) 3.664 3.088 ( -3.296 0.000 7.835) 8.500 3.607 ( 6.326 -0.000 -12.421) 13.939 3.810 ( -1.875 0.000 -1.374) 2.324 3.813 ( 3.481 -0.000 -1.972) 4.001 4.303 ( -5.418 0.000 10.040) 11.408 4.481 ( 0.533 -0.000 -0.084) 0.539 4.852 ( -1.493 0.000 0.669) 1.636 5.003 ( 1.964 -0.000 -3.758) 4.240 5.650 ( -1.536 0.000 2.069) 2.577 5.695 ( 1.046 -0.000 0.553) 1.183 5.757 ( -1.285 0.000 0.583) 1.411 5.860 ( 1.289 -0.000 -2.344) 2.675 8.968 ( -0.441 0.000 1.589) 1.649 9.054 ( 0.397 -0.000 -1.902) 1.943 9.614 ( -1.212 0.000 0.930) 1.528 9.689 ( 1.143 -0.000 -1.170) 1.636 10.064 ( 0.788 -0.000 3.588) 3.673 10.151 ( -1.793 0.000 -0.895) 2.004 10.418 ( 0.413 -0.000 -0.766) 0.870 10.438 ( 0.090 -0.000 -1.243) 1.246======================= Grid point 274 (121/189) =======================q-point: (-0.38 -0.46 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.476 ( -2.983 -3.855 0.285) 4.882 0.604 ( -3.422 -0.784 4.327) 5.572 0.640 ( -0.482 -1.192 -1.496) 1.973 0.733 ( -1.660 -6.683 3.954) 7.941 1.044 ( -2.913 -1.613 0.816) 3.428 1.134 ( -2.258 0.010 1.196) 2.556 1.282 ( -1.991 1.553 -0.875) 2.673 1.515 ( 5.197 -7.493 -9.780) 13.371 1.517 ( -1.457 -0.474 2.772) 3.168 1.820 ( -0.186 0.757 5.566) 5.620 1.962 ( 1.808 0.213 0.466) 1.879 1.996 ( 3.939 -6.379 0.749) 7.535 2.248 ( 1.987 1.714 -3.482) 4.361 2.300 ( 1.521 -0.919 -3.860) 4.250 2.628 ( -4.101 1.265 5.743) 7.169 2.890 ( 4.858 -1.437 -1.861) 5.397 3.109 ( -3.399 -1.889 8.244) 9.115 3.612 ( 6.099 -0.601 -11.640) 13.155 3.800 ( -1.657 -0.798 -0.027) 1.839 3.880 ( 3.363 -4.858 -3.746) 6.995 4.323 ( -4.782 -2.302 8.875) 10.340 4.496 ( 0.305 -1.297 -0.296) 1.365 4.851 ( -2.050 -0.766 1.862) 2.874 5.037 ( 1.949 -3.514 -3.922) 5.615 5.650 ( -1.638 -0.388 1.834) 2.490 5.706 ( 1.015 -0.249 0.741) 1.281 5.749 ( -1.447 0.141 0.512) 1.541 5.854 ( 1.399 0.600 -2.317) 2.772 8.972 ( -0.310 -0.093 1.621) 1.653 9.047 ( 0.649 0.417 -1.818) 1.975 9.613 ( -1.097 -0.339 0.724) 1.357 9.687 ( 0.709 0.401 -0.867) 1.190 10.087 ( 1.007 -0.577 3.571) 3.755 10.139 ( -1.644 -0.297 -1.291) 2.111 10.409 ( 0.130 0.979 -0.556) 1.133 10.426 ( -0.217 0.783 -1.189) 1.440======================= Grid point 275 (122/189) =======================q-point: (-0.31 -0.46 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.554 ( -1.521 -4.918 0.044) 5.148 0.629 ( -3.035 -3.299 -0.544) 4.516 0.652 ( -2.436 -1.250 2.509) 3.713 0.866 ( 0.782 -7.003 -1.427) 7.189 1.081 ( -5.291 -1.774 2.972) 6.323 1.148 ( -1.460 -4.492 2.595) 5.389 1.248 ( -2.388 0.073 -1.298) 2.719 1.518 ( -4.912 0.160 7.554) 9.012 1.657 ( 6.342 -6.624 -10.051) 13.606 1.862 ( 1.552 -2.722 3.886) 4.992 1.965 ( 3.814 0.699 -2.178) 4.447 2.143 ( 5.309 -4.786 -1.949) 7.409 2.230 ( -0.572 -1.588 -0.335) 1.721 2.329 ( 2.666 -2.308 -4.052) 5.371 2.595 ( -4.418 1.513 7.737) 9.037 2.940 ( 5.674 -0.984 -3.064) 6.523 3.175 ( -3.344 -4.484 8.200) 9.927 3.627 ( 5.018 -0.805 -9.462) 10.740 3.810 ( -2.036 -0.997 2.019) 3.036 3.996 ( 4.291 -6.190 -6.074) 9.676 4.388 ( -3.089 -4.461 6.311) 8.323 4.527 ( -0.030 -2.210 -1.162) 2.497 4.870 ( -2.978 -1.739 4.893) 5.986 5.121 ( 2.098 -5.199 -4.663) 7.292 5.655 ( -1.722 -0.616 1.598) 2.429 5.720 ( 0.929 -0.097 1.119) 1.458 5.741 ( -1.428 -0.280 0.186) 1.467 5.843 ( 1.414 0.613 -2.227) 2.708 8.979 ( -0.195 -0.225 1.369) 1.401 9.036 ( 0.798 0.619 -1.465) 1.779 9.618 ( -0.822 -0.637 0.432) 1.126 9.677 ( 0.166 0.738 -0.395) 0.853 10.117 ( 0.922 -0.704 2.322) 2.596 10.134 ( -1.004 -0.508 -0.939) 1.466 10.381 ( -0.437 1.686 -0.153) 1.749 10.401 ( -0.376 1.232 -0.947) 1.599======================= Grid point 276 (123/189) =======================q-point: (-0.23 -0.46 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.605 ( -1.197 -1.315 2.047) 2.712 0.639 ( -1.284 -0.057 -0.720) 1.473 0.736 ( -3.467 -7.654 1.202) 8.488 0.989 ( 1.488 -6.144 -4.774) 7.922 1.053 ( -3.654 0.897 -1.065) 3.910 1.221 ( -0.926 -0.976 -1.942) 2.363 1.313 ( -4.922 -9.721 7.760) 13.376 1.503 ( -4.528 0.646 7.552) 8.829 1.768 ( 4.767 -3.687 -4.788) 7.697 1.913 ( 4.419 0.311 -0.641) 4.476 1.989 ( 2.645 -2.310 -2.685) 4.420 2.220 ( 2.429 -3.708 -0.865) 4.517 2.310 ( 0.946 -4.944 -2.601) 5.666 2.389 ( 2.813 -2.920 -2.844) 4.952 2.577 ( -4.158 0.246 9.558) 10.426 2.974 ( 5.990 -0.208 -4.146) 7.288 3.276 ( -2.811 -5.269 6.417) 8.766 3.636 ( 3.451 -0.184 -7.181) 7.970 3.825 ( -1.992 -0.913 4.708) 5.193 4.115 ( 4.922 -5.771 -7.590) 10.730 4.472 ( -1.408 -3.515 3.462) 5.130 4.579 ( -0.505 -4.423 -1.797) 4.801 4.905 ( -3.972 -1.786 8.046) 9.149 5.214 ( 2.401 -4.837 -5.932) 8.022 5.660 ( -1.548 -0.411 1.378) 2.113 5.725 ( -0.162 0.005 1.354) 1.363 5.749 ( -0.376 -0.907 0.217) 1.006 5.840 ( 1.200 -0.341 -2.031) 2.383 8.987 ( -0.131 -0.335 0.877) 0.948 9.025 ( 0.729 0.644 -0.911) 1.333 9.629 ( -0.505 -0.821 0.093) 0.969 9.660 ( -0.295 0.891 0.045) 0.940 10.128 ( -0.691 -0.668 -1.746) 1.993 10.148 ( 1.185 -0.266 2.226) 2.536 10.342 ( -0.995 1.936 0.236) 2.190 10.373 ( -0.377 1.230 -0.615) 1.426======================= Grid point 277 (124/189) =======================q-point: (-0.15 -0.46 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.612 ( -2.443 -0.375 -0.202) 2.480 0.631 ( 0.608 0.808 2.531) 2.725 0.860 ( -3.334 -6.804 1.448) 7.714 0.989 ( -3.913 1.287 -1.812) 4.500 1.101 ( 2.389 -4.936 -5.660) 7.881 1.229 ( -1.859 -1.619 -1.396) 2.834 1.455 ( -3.015 -1.349 4.545) 5.619 1.538 ( -2.468 -7.902 7.073) 10.889 1.793 ( 3.391 1.907 -2.720) 4.747 1.968 ( 5.186 -4.256 -4.147) 7.887 2.042 ( -0.174 -2.197 3.141) 3.837 2.309 ( 0.723 -3.429 -0.088) 3.505 2.379 ( 1.164 -3.059 -3.849) 5.053 2.432 ( 0.969 -1.330 -0.560) 1.738 2.608 ( -1.985 -2.338 7.059) 7.696 2.996 ( 6.271 0.197 -5.535) 8.367 3.364 ( -2.097 -3.801 3.743) 5.732 3.628 ( 2.095 0.660 -5.258) 5.699 3.852 ( -2.095 -1.159 7.356) 7.736 4.219 ( 5.466 -4.721 -8.852) 11.425 4.517 ( -1.875 -1.785 2.670) 3.719 4.671 ( 0.258 -5.560 -2.444) 6.079 4.932 ( -4.738 -0.646 10.025) 11.107 5.286 ( 2.914 -3.246 -7.459) 8.640 5.661 ( -1.198 -0.155 1.580) 1.989 5.734 ( -0.732 -0.795 1.667) 1.986 5.764 ( 0.052 -0.590 0.358) 0.692 5.858 ( 0.844 -1.474 -1.900) 2.549 8.994 ( -0.106 -0.224 0.268) 0.365 9.016 ( 0.461 0.480 -0.269) 0.718 9.641 ( -0.431 0.072 0.045) 0.439 9.644 ( -0.335 -0.117 0.058) 0.360 10.132 ( -0.211 -0.667 -1.686) 1.825 10.161 ( 1.039 0.244 1.701) 2.008 10.302 ( -1.170 1.702 0.511) 2.128 10.348 ( -0.296 0.976 -0.464) 1.120======================= Grid point 278 (125/189) =======================q-point: (-0.08 -0.46 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.601 ( -1.491 -0.271 -0.707) 1.672 0.622 ( 0.310 1.665 2.492) 3.013 0.913 ( -3.426 0.066 1.832) 3.886 0.986 ( -1.946 -4.172 -0.566) 4.638 1.169 ( 0.407 -2.828 -3.244) 4.323 1.252 ( -1.747 -2.579 -1.661) 3.531 1.442 ( 1.065 1.341 -0.311) 1.740 1.675 ( 1.386 -1.460 0.269) 2.031 1.800 ( 0.981 -4.788 0.716) 4.939 2.074 ( 2.869 -3.984 -2.986) 5.746 2.090 ( -3.006 -2.743 8.144) 9.104 2.306 ( -1.760 3.205 3.620) 5.145 2.443 ( 1.240 -3.779 -3.269) 5.149 2.466 ( 1.653 -1.851 -2.807) 3.747 2.657 ( -1.171 -1.445 4.140) 4.538 3.010 ( 5.743 0.187 -6.792) 8.896 3.416 ( -1.196 -2.070 1.606) 2.880 3.607 ( 1.598 1.088 -4.026) 4.466 3.883 ( -3.116 -0.829 9.003) 9.563 4.299 ( 6.081 -3.302 -10.205) 12.330 4.546 ( -2.958 -1.853 3.875) 5.215 4.756 ( 1.208 -3.625 -2.984) 4.849 4.934 ( -5.127 0.681 10.640) 11.831 5.325 ( 3.659 -1.661 -8.655) 9.542 5.664 ( -1.206 -0.370 2.301) 2.624 5.752 ( -1.911 -1.012 1.913) 2.888 5.773 ( 1.001 -0.147 0.483) 1.122 5.887 ( 0.730 -1.580 -2.015) 2.663 8.994 ( -0.038 0.160 -0.079) 0.182 9.013 ( 0.104 0.045 0.088) 0.144 9.627 ( -0.564 0.499 0.567) 0.942 9.655 ( 0.001 -0.666 -0.589) 0.889 10.140 ( 0.286 -0.589 -1.008) 1.202 10.162 ( 0.467 0.615 1.058) 1.310 10.271 ( -0.948 1.017 0.650) 1.535 10.330 ( -0.098 0.652 -0.554) 0.861======================= Grid point 287 (126/189) =======================q-point: (-0.38 -0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.414 ( -4.949 0.000 0.529) 4.977 0.567 ( -6.550 0.000 -0.165) 6.552 0.649 ( -2.416 0.000 3.217) 4.023 0.656 ( 0.854 -0.000 6.805) 6.859 1.008 ( -3.656 0.000 -1.631) 4.003 1.116 ( -4.406 0.000 1.697) 4.722 1.295 ( -2.673 0.000 0.748) 2.776 1.429 ( 6.665 -0.000 -11.534) 13.321 1.513 ( -0.716 0.000 1.464) 1.630 1.883 ( 2.854 -0.000 5.367) 6.079 1.916 ( -1.407 0.000 7.177) 7.313 1.994 ( 6.710 -0.000 -4.570) 8.118 2.279 ( 3.360 -0.000 -3.240) 4.668 2.281 ( 0.617 -0.000 -3.718) 3.769 2.634 ( -3.778 0.000 5.643) 6.791 2.903 ( 6.063 -0.000 -1.575) 6.265 3.100 ( -3.094 0.000 8.036) 8.611 3.606 ( 6.984 -0.000 -13.293) 15.016 3.773 ( -2.355 0.000 -1.960) 3.064 3.847 ( 3.330 -0.000 -0.878) 3.444 4.299 ( -5.497 0.000 9.519) 10.992 4.486 ( 0.292 -0.000 0.062) 0.298 4.835 ( -2.206 0.000 0.986) 2.416 5.002 ( 1.850 -0.000 -3.654) 4.096 5.641 ( -1.723 0.000 1.451) 2.253 5.712 ( 1.003 -0.000 0.712) 1.230 5.744 ( -1.598 0.000 0.993) 1.881 5.862 ( 1.505 -0.000 -2.362) 2.801 8.976 ( -0.284 0.000 1.941) 1.962 9.050 ( 0.946 -0.000 -1.916) 2.136 9.605 ( -1.123 0.000 0.623) 1.284 9.692 ( 0.461 -0.000 -0.874) 0.988 10.100 ( 0.954 -0.000 4.053) 4.164 10.121 ( -1.654 0.000 -1.514) 2.242 10.417 ( 0.173 -0.000 -0.581) 0.606 10.428 ( -0.401 0.000 -1.343) 1.402======================= Grid point 288 (127/189) =======================q-point: (-0.31 -0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.426 ( -4.881 -4.693 -0.026) 6.771 0.552 ( -5.657 -2.518 -1.297) 6.327 0.641 ( -2.214 -0.251 4.949) 5.427 0.744 ( -0.857 -5.637 4.017) 6.975 1.006 ( -4.196 -2.769 1.594) 5.274 1.096 ( -4.890 -0.677 0.473) 4.959 1.249 ( -1.843 1.987 -1.540) 3.117 1.506 ( -2.007 -2.433 2.637) 4.110 1.527 ( 5.785 -5.097 -9.541) 12.268 1.873 ( 2.669 1.089 5.093) 5.852 1.993 ( 2.349 -1.055 1.481) 2.970 2.062 ( 5.985 -5.173 -0.413) 7.921 2.247 ( 1.609 2.106 -3.328) 4.254 2.301 ( 2.388 -0.990 -3.209) 4.121 2.620 ( -3.663 1.117 6.842) 7.841 2.949 ( 6.996 -0.991 -2.639) 7.543 3.123 ( -3.201 -1.869 8.494) 9.268 3.612 ( 6.356 -0.612 -12.077) 13.661 3.773 ( -1.922 -1.811 -0.946) 2.805 3.904 ( 3.547 -4.112 -2.556) 6.002 4.319 ( -4.922 -2.568 8.551) 10.195 4.497 ( 0.293 -1.000 -0.432) 1.128 4.835 ( -2.793 -1.233 2.416) 3.893 5.036 ( 1.903 -3.424 -3.961) 5.571 5.638 ( -1.756 -0.416 1.150) 2.140 5.724 ( 1.016 -0.315 0.708) 1.278 5.735 ( -1.666 0.264 1.241) 2.094 5.857 ( 1.521 0.608 -2.398) 2.904 8.980 ( -0.258 -0.014 1.918) 1.935 9.047 ( 1.159 0.382 -1.734) 2.120 9.604 ( -0.957 -0.408 0.433) 1.127 9.687 ( 0.052 0.411 -0.605) 0.733 10.108 ( -1.273 -0.261 -1.375) 1.892 10.126 ( 0.799 -0.631 3.526) 3.670 10.405 ( -0.159 1.140 -0.387) 1.214 10.414 ( -0.452 0.707 -1.222) 1.482======================= Grid point 289 (128/189) =======================q-point: (-0.23 -0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.518 ( -3.759 -6.777 -0.454) 7.763 0.574 ( -3.977 -4.035 -2.330) 6.126 0.655 ( -1.988 -0.694 5.972) 6.332 0.864 ( 0.246 -6.563 -1.473) 6.731 1.028 ( -5.638 -0.712 1.571) 5.896 1.134 ( -3.724 -6.821 3.320) 8.451 1.207 ( -2.448 0.278 -1.672) 2.977 1.507 ( -5.042 0.181 8.221) 9.646 1.673 ( 7.065 -7.384 -10.874) 14.923 1.920 ( 3.636 -2.139 3.609) 5.551 2.005 ( 4.834 1.772 -2.180) 5.592 2.200 ( 5.239 -3.957 -1.024) 6.645 2.218 ( -0.528 -1.234 -0.877) 1.603 2.338 ( 2.844 -2.735 -3.866) 5.524 2.598 ( -3.753 1.261 8.751) 9.605 2.995 ( 6.693 -0.344 -3.669) 7.641 3.190 ( -2.730 -4.264 8.049) 9.509 3.625 ( 4.563 -0.690 -9.300) 10.382 3.801 ( -1.170 -1.912 1.561) 2.732 4.012 ( 4.342 -5.808 -5.382) 9.031 4.390 ( -3.420 -4.871 6.454) 8.779 4.520 ( 0.419 -1.550 -1.624) 2.284 4.862 ( -3.731 -2.377 5.384) 6.969 5.116 ( 2.236 -5.014 -4.934) 7.382 5.642 ( -1.612 -0.709 0.929) 1.991 5.724 ( -1.759 0.157 1.322) 2.206 5.740 ( 1.059 -0.492 0.780) 1.404 5.846 ( 1.399 0.641 -2.406) 2.856 8.985 ( -0.223 -0.089 1.459) 1.479 9.040 ( 1.156 0.617 -1.274) 1.828 9.611 ( -0.715 -0.727 0.190) 1.037 9.674 ( -0.364 0.739 -0.197) 0.847 10.105 ( -0.944 -0.650 -1.674) 2.028 10.155 ( 1.076 -0.597 2.950) 3.197 10.372 ( -0.803 1.859 -0.063) 2.026 10.390 ( -0.465 1.117 -0.834) 1.469======================= Grid point 290 (129/189) =======================q-point: (-0.15 -0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.566 ( -4.431 -2.348 -0.376) 5.029 0.647 ( 1.244 -1.635 0.302) 2.076 0.706 ( -3.719 -6.590 3.747) 8.444 0.961 ( -1.973 -2.880 -2.894) 4.535 1.011 ( -0.501 -2.493 -3.770) 4.548 1.180 ( -3.135 -1.068 -1.974) 3.856 1.306 ( -4.782 -10.130 7.985) 13.756 1.501 ( -4.040 -0.046 8.054) 9.011 1.795 ( 5.108 -3.812 -5.754) 8.587 1.967 ( 6.240 1.717 -3.849) 7.529 2.014 ( 2.668 -2.300 0.289) 3.534 2.240 ( 1.258 -3.004 -0.257) 3.267 2.310 ( 1.967 -4.171 -2.839) 5.415 2.403 ( 2.343 -2.792 -2.870) 4.639 2.593 ( -3.375 -0.215 9.884) 10.447 3.022 ( 5.894 0.220 -4.275) 7.284 3.286 ( -2.000 -4.648 5.846) 7.732 3.629 ( 2.648 -0.041 -6.590) 7.102 3.837 ( -0.976 -1.623 4.549) 4.928 4.129 ( 4.971 -5.567 -7.052) 10.268 4.477 ( -1.462 -3.262 3.581) 5.059 4.562 ( -0.109 -4.274 -2.078) 4.754 4.905 ( -4.634 -2.284 8.125) 9.628 5.206 ( 2.592 -4.576 -6.228) 8.152 5.650 ( -1.176 -0.689 0.837) 1.600 5.719 ( -1.846 -0.353 1.649) 2.500 5.759 ( 1.028 -0.545 0.688) 1.352 5.841 ( 1.101 -0.234 -2.304) 2.564 8.990 ( -0.140 -0.173 0.825) 0.854 9.030 ( 0.874 0.711 -0.683) 1.318 9.623 ( -0.504 -0.903 -0.064) 1.036 9.655 ( -0.628 0.853 0.192) 1.076 10.110 ( -0.321 -0.880 -1.604) 1.858 10.176 ( 1.101 -0.066 1.955) 2.245 10.330 ( -1.167 1.958 0.331) 2.304 10.363 ( -0.548 1.102 -0.513) 1.333======================= Grid point 291 (130/189) =======================q-point: (-0.08 -0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.575 ( -2.720 -1.240 -0.334) 3.008 0.658 ( 0.749 0.938 2.293) 2.588 0.832 ( -3.166 -6.923 2.596) 8.044 0.937 ( -2.305 0.543 -2.177) 3.217 1.089 ( 1.591 -4.700 -5.728) 7.578 1.184 ( -3.680 -2.201 -1.295) 4.479 1.450 ( -2.886 -2.580 4.974) 6.303 1.558 ( -2.248 -7.627 7.523) 10.947 1.815 ( 3.204 2.151 -3.026) 4.904 2.001 ( 5.928 -3.490 -6.926) 9.762 2.070 ( 0.635 -1.548 4.536) 4.835 2.315 ( 0.333 -3.059 -0.113) 3.079 2.373 ( 1.786 -2.808 -3.639) 4.931 2.439 ( 0.834 -1.146 -0.702) 1.581 2.629 ( -2.111 -1.981 7.216) 7.775 3.032 ( 5.082 0.648 -5.337) 7.399 3.366 ( -1.331 -3.298 3.328) 4.870 3.618 ( 1.487 0.552 -4.641) 4.905 3.876 ( -1.706 -1.247 7.080) 7.389 4.231 ( 5.335 -4.516 -8.142) 10.731 4.513 ( -1.306 -1.276 2.056) 2.750 4.661 ( 0.527 -5.881 -2.110) 6.270 4.935 ( -5.288 -0.919 9.819) 11.190 5.273 ( 3.073 -3.164 -7.560) 8.753 5.658 ( -0.732 -0.434 1.244) 1.507 5.725 ( -2.093 -0.987 2.024) 3.074 5.777 ( 1.029 -0.384 0.532) 1.220 5.855 ( 0.783 -1.385 -2.185) 2.703 8.994 ( -0.018 -0.079 0.260) 0.272 9.020 ( 0.392 0.593 -0.145) 0.725 9.635 ( -0.483 -0.097 -0.003) 0.493 9.639 ( -0.516 -0.108 0.162) 0.552 10.123 ( 0.327 -0.954 -1.341) 1.678 10.183 ( 0.777 0.580 1.207) 1.548 10.291 ( -1.129 1.574 0.571) 2.019 10.340 ( -0.510 0.831 -0.406) 1.057======================= Grid point 301 (131/189) =======================q-point: (-0.31 -0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.348 ( -6.152 0.000 1.032) 6.238 0.474 ( -7.649 0.000 -1.263) 7.753 0.626 ( -6.601 0.000 6.672) 9.386 0.709 ( 0.505 -0.000 6.376) 6.396 0.951 ( -3.530 0.000 -1.713) 3.923 1.055 ( -6.873 0.000 1.132) 6.966 1.268 ( -1.656 0.000 -0.840) 1.856 1.437 ( 6.878 -0.000 -11.715) 13.585 1.512 ( -1.522 0.000 2.479) 2.908 1.942 ( -2.303 0.000 8.165) 8.483 1.965 ( 5.077 -0.000 3.962) 6.440 2.058 ( 8.581 -0.000 -5.886) 10.406 2.272 ( 1.910 -0.000 -3.418) 3.916 2.302 ( 2.891 -0.000 -1.368) 3.198 2.633 ( -3.110 0.000 7.316) 7.950 2.978 ( 8.090 -0.000 -2.819) 8.567 3.115 ( -3.093 0.000 8.270) 8.830 3.608 ( 7.490 -0.000 -13.591) 15.518 3.730 ( -2.502 0.000 -1.797) 3.080 3.880 ( 2.869 -0.000 -0.806) 2.981 4.291 ( -5.469 0.000 8.956) 10.493 4.488 ( -0.044 0.000 0.032) 0.055 4.811 ( -2.911 0.000 1.613) 3.328 5.001 ( 1.673 -0.000 -3.585) 3.956 5.627 ( -1.684 0.000 0.795) 1.862 5.730 ( 1.133 -0.000 0.670) 1.316 5.732 ( -1.818 0.000 1.782) 2.546 5.865 ( 1.559 -0.000 -2.501) 2.947 8.986 ( -0.320 0.000 2.301) 2.323 9.053 ( 1.427 -0.000 -1.786) 2.286 9.595 ( -0.904 0.000 0.352) 0.970 9.688 ( -0.215 0.000 -0.629) 0.664 10.092 ( -1.392 0.000 -1.554) 2.086 10.137 ( 0.517 -0.000 4.081) 4.113 10.413 ( -0.507 0.000 -1.441) 1.528 10.417 ( 0.304 -0.000 -0.303) 0.430======================= Grid point 302 (132/189) =======================q-point: (-0.23 -0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.363 ( -5.655 -5.394 1.295) 7.922 0.462 ( -6.929 -3.604 -2.142) 8.099 0.635 ( -5.441 -2.295 7.835) 9.811 0.759 ( -0.909 -3.557 3.398) 5.002 0.966 ( -4.101 -3.283 1.938) 5.599 1.024 ( -6.479 -1.804 -0.559) 6.749 1.219 ( -0.943 2.530 -2.653) 3.785 1.502 ( -2.807 -1.069 5.150) 5.962 1.535 ( 6.390 -6.310 -11.274) 14.414 1.939 ( 2.106 0.352 5.561) 5.957 2.041 ( 4.148 -1.412 0.999) 4.494 2.127 ( 5.413 -3.887 -1.830) 6.911 2.252 ( 2.970 2.051 -3.182) 4.812 2.315 ( 2.328 -0.248 -1.598) 2.834 2.629 ( -2.786 1.113 8.511) 9.025 3.022 ( 8.009 -0.237 -3.952) 8.934 3.141 ( -2.795 -2.076 8.570) 9.250 3.613 ( 6.149 -0.371 -11.472) 13.021 3.746 ( -0.966 -3.078 -1.344) 3.495 3.930 ( 3.036 -3.703 -2.378) 5.347 4.313 ( -4.941 -2.820 8.185) 9.968 4.498 ( 0.365 -0.987 -0.599) 1.211 4.814 ( -3.527 -1.647 3.087) 4.968 5.033 ( 1.922 -3.409 -4.115) 5.679 5.623 ( -1.473 -0.453 0.637) 1.668 5.723 ( -1.824 0.334 1.929) 2.676 5.742 ( 1.067 -0.307 0.755) 1.343 5.860 ( 1.471 0.658 -2.640) 3.093 8.990 ( -0.387 0.119 2.097) 2.135 9.053 ( 1.504 0.372 -1.511) 2.164 9.596 ( -0.715 -0.444 0.203) 0.866 9.681 ( -0.534 0.383 -0.426) 0.783 10.083 ( -1.063 -0.418 -1.322) 1.747 10.158 ( 0.391 -0.625 3.564) 3.640 10.397 ( -0.401 0.990 -1.098) 1.532 10.406 ( 0.005 1.147 -0.218) 1.168======================= Grid point 303 (133/189) =======================q-point: (-0.15 -0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.458 ( -5.827 -5.878 0.180) 8.279 0.514 ( -3.428 -7.347 -0.931) 8.161 0.672 ( -1.681 -1.174 5.810) 6.161 0.850 ( -1.055 -6.066 -1.353) 6.304 0.964 ( -5.556 -0.602 0.306) 5.596 1.102 ( -4.722 -7.596 3.158) 9.485 1.173 ( -1.484 -0.099 -1.110) 1.856 1.501 ( -4.898 0.089 9.067) 10.306 1.688 ( 7.092 -8.008 -11.560) 15.750 1.991 ( 3.560 -1.939 3.740) 5.516 2.056 ( 5.950 3.162 -2.642) 7.237 2.207 ( -0.412 -2.237 -0.619) 2.357 2.255 ( 4.328 -1.790 -0.900) 4.769 2.347 ( 2.682 -2.839 -4.067) 5.639 2.617 ( -2.808 1.232 9.771) 10.240 3.051 ( 5.943 0.399 -3.765) 7.047 3.213 ( -1.486 -3.986 7.071) 8.252 3.621 ( 4.131 -0.349 -8.233) 9.218 3.802 ( 0.007 -2.910 1.088) 3.107 4.030 ( 3.989 -5.657 -5.167) 8.638 4.388 ( -3.647 -5.293 6.449) 9.106 4.519 ( 1.174 -0.997 -1.897) 2.443 4.848 ( -4.526 -2.928 5.751) 7.882 5.113 ( 2.625 -4.843 -5.335) 7.669 5.629 ( -1.131 -0.813 0.594) 1.515 5.712 ( -1.929 0.202 2.143) 2.890 5.758 ( 1.026 -0.458 0.639) 1.293 5.845 ( 1.255 0.685 -2.741) 3.092 8.991 ( -0.319 0.036 1.435) 1.470 9.048 ( 1.291 0.686 -0.966) 1.752 9.604 ( -0.546 -0.747 0.042) 0.926 9.666 ( -0.768 0.658 -0.101) 1.016 10.086 ( -0.475 -0.844 -1.101) 1.466 10.183 ( 0.622 -0.547 2.320) 2.463 10.362 ( -0.734 2.014 0.058) 2.144 10.380 ( -0.478 1.213 -0.562) 1.420======================= Grid point 304 (134/189) =======================q-point: (-0.08 -0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.508 ( -4.509 -3.676 0.131) 5.819 0.655 ( 0.473 -6.267 -1.145) 6.388 0.697 ( -2.556 -2.373 5.012) 6.106 0.915 ( -3.032 -1.252 -1.018) 3.435 0.983 ( 0.307 -5.048 -5.149) 7.217 1.130 ( -2.604 -0.678 -2.082) 3.402 1.298 ( -5.035 -10.399 8.316) 14.236 1.506 ( -4.018 -0.784 8.886) 9.784 1.817 ( 5.024 -4.038 -6.958) 9.485 2.007 ( 6.243 2.862 -7.519) 10.183 2.062 ( 2.689 -1.886 3.765) 4.996 2.248 ( 0.500 -3.058 -0.406) 3.125 2.322 ( 2.477 -3.014 -2.244) 4.500 2.409 ( 1.970 -2.721 -3.458) 4.821 2.620 ( -2.901 -0.093 10.147) 10.554 3.060 ( 4.413 0.734 -3.928) 5.953 3.302 ( -1.058 -3.972 4.870) 6.373 3.619 ( 2.374 0.238 -5.652) 6.135 3.857 ( -0.611 -2.129 4.231) 4.775 4.144 ( 4.623 -5.494 -6.641) 9.780 4.482 ( -1.432 -3.320 3.432) 4.985 4.552 ( 0.817 -3.914 -2.241) 4.584 4.895 ( -5.417 -2.762 8.084) 10.115 5.199 ( 2.978 -4.285 -6.468) 8.311 5.643 ( -0.686 -0.956 0.677) 1.357 5.708 ( -1.999 -0.300 2.434) 3.164 5.775 ( 0.855 -0.507 0.433) 1.084 5.838 ( 1.066 -0.174 -2.656) 2.867 8.994 ( -0.126 -0.063 0.845) 0.856 9.037 ( 0.834 0.871 -0.471) 1.295 9.616 ( -0.418 -0.917 -0.094) 1.012 9.648 ( -0.822 0.721 0.257) 1.123 10.101 ( 0.212 -1.105 -0.969) 1.485 10.197 ( 0.620 0.081 1.057) 1.228 10.319 ( -1.043 1.993 0.616) 2.332 10.353 ( -0.593 1.067 -0.467) 1.307======================= Grid point 315 (135/189) =======================q-point: (-0.23 -0.23 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.283 ( -6.473 0.000 3.510) 7.363 0.365 ( -8.489 0.000 -1.455) 8.613 0.577 ( -10.808 0.000 11.978) 16.133 0.746 ( -0.648 0.000 4.973) 5.015 0.903 ( -1.998 0.000 -2.889) 3.512 0.967 ( -7.986 0.000 0.456) 7.999 1.242 ( -0.550 0.000 -3.013) 3.063 1.446 ( 6.996 -0.000 -11.864) 13.773 1.509 ( -2.473 0.000 4.572) 5.198 1.966 ( -2.657 0.000 8.657) 9.055 2.048 ( 4.379 -0.000 2.871) 5.237 2.118 ( 7.937 -0.000 -7.634) 11.012 2.291 ( 4.430 -0.000 -1.969) 4.848 2.333 ( 2.400 -0.000 0.569) 2.467 2.655 ( -1.981 0.000 9.566) 9.769 3.059 ( 8.657 -0.000 -4.663) 9.833 3.131 ( -2.844 0.000 8.399) 8.867 3.615 ( 7.804 -0.000 -13.275) 15.399 3.692 ( -2.114 0.000 -0.588) 2.194 3.904 ( 2.117 -0.000 -1.406) 2.542 4.281 ( -5.240 0.000 8.436) 9.931 4.485 ( -0.465 0.000 -0.163) 0.493 4.785 ( -3.397 0.000 2.424) 4.173 4.997 ( 1.411 -0.000 -3.641) 3.905 5.613 ( -1.124 0.000 0.553) 1.253 5.722 ( -2.105 0.000 2.521) 3.285 5.748 ( 1.217 -0.000 0.496) 1.314 5.867 ( 1.589 -0.000 -2.817) 3.234 8.996 ( -0.556 0.000 2.451) 2.514 9.061 ( 1.673 -0.000 -1.629) 2.335 9.588 ( -0.574 0.000 0.177) 0.601 9.679 ( -0.730 0.000 -0.477) 0.872 10.070 ( -0.886 0.000 -0.663) 1.107 10.163 ( -0.518 0.000 3.755) 3.791 10.399 ( -0.038 0.000 -1.481) 1.482 10.423 ( 0.872 -0.000 0.089) 0.876======================= Grid point 316 (136/189) =======================q-point: (-0.15 -0.23 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.308 ( -6.017 -5.408 3.801) 8.939 0.361 ( -7.286 -5.191 -0.681) 8.972 0.615 ( -7.375 -5.277 11.049) 14.294 0.759 ( -1.824 -1.562 1.156) 2.665 0.921 ( -6.296 -0.480 1.580) 6.509 0.947 ( -3.259 -5.816 -0.979) 6.738 1.192 ( -0.014 2.616 -3.487) 4.359 1.504 ( -3.643 -0.102 7.955) 8.750 1.539 ( 6.948 -7.223 -12.716) 16.191 1.993 ( 0.333 -1.332 6.514) 6.658 2.099 ( 3.746 -1.592 0.809) 4.150 2.169 ( 5.327 -2.231 -5.157) 7.742 2.281 ( 4.200 2.584 -1.731) 5.226 2.337 ( 2.142 0.815 -0.275) 2.308 2.662 ( -1.732 1.451 10.186) 10.433 3.086 ( 5.987 0.672 -3.766) 7.105 3.168 ( -0.710 -2.471 6.792) 7.263 3.617 ( 5.979 -0.083 -9.882) 11.550 3.735 ( 0.538 -4.245 -1.300) 4.472 3.946 ( 2.222 -3.638 -2.813) 5.107 4.305 ( -4.751 -3.008 7.895) 9.693 4.500 ( 0.716 -1.481 -0.933) 1.891 4.789 ( -4.047 -1.817 3.768) 5.820 5.030 ( 2.239 -3.634 -4.531) 6.225 5.613 ( -0.718 -0.445 0.636) 1.057 5.713 ( -2.162 0.341 2.694) 3.471 5.759 ( 1.009 -0.262 0.383) 1.110 5.859 ( 1.428 0.801 -3.019) 3.434 8.997 ( -0.665 0.241 2.000) 2.121 9.063 ( 1.575 0.360 -1.255) 2.046 9.590 ( -0.388 -0.427 0.094) 0.584 9.669 ( -0.899 0.337 -0.373) 1.031 10.069 ( -0.386 -0.448 -0.019) 0.591 10.179 ( -0.454 -0.827 2.841) 2.994 10.387 ( 0.225 0.867 -1.239) 1.529 10.408 ( 0.105 1.993 0.434) 2.042======================= Grid point 317 (137/189) =======================q-point: (-0.08 -0.23 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.386 ( -5.848 -5.853 1.003) 8.334 0.482 ( -2.327 -9.486 1.807) 9.933 0.684 ( -1.427 -1.445 3.168) 3.763 0.821 ( -2.866 -6.231 0.455) 6.873 0.901 ( -4.402 -1.318 -0.519) 4.624 1.065 ( -3.989 -6.964 2.652) 8.453 1.157 ( -0.461 -1.005 -0.238) 1.131 1.504 ( -4.759 0.057 10.155) 11.214 1.698 ( 6.884 -8.374 -12.057) 16.213 2.051 ( 2.200 -1.630 3.987) 4.836 2.111 ( 5.629 4.192 -3.314) 7.761 2.201 ( 0.118 -2.057 -0.411) 2.101 2.292 ( 2.560 -1.387 -1.047) 3.094 2.352 ( 2.739 -2.317 -4.650) 5.873 2.653 ( -2.236 1.551 10.483) 10.830 3.089 ( 3.722 0.921 -2.786) 4.740 3.243 ( -0.193 -3.447 5.038) 6.107 3.622 ( 4.209 0.198 -7.135) 8.287 3.814 ( 0.624 -3.448 1.082) 3.668 4.042 ( 3.435 -5.835 -5.303) 8.600 4.384 ( -3.676 -5.542 6.396) 9.227 4.526 ( 2.157 -0.740 -2.298) 3.237 4.825 ( -5.248 -3.269 6.042) 8.645 5.113 ( 3.309 -4.658 -5.935) 8.238 5.624 ( -0.367 -0.802 0.771) 1.172 5.703 ( -2.143 0.188 2.821) 3.548 5.772 ( 0.651 -0.422 0.156) 0.792 5.842 ( 1.257 0.701 -3.054) 3.376 8.996 ( -0.419 0.033 1.392) 1.454 9.058 ( 1.199 0.806 -0.721) 1.615 9.598 ( -0.295 -0.700 0.050) 0.761 9.654 ( -0.923 0.509 -0.148) 1.064 10.081 ( 0.155 -0.875 0.098) 0.894 10.199 ( 0.111 -0.549 1.141) 1.271 10.356 ( -0.686 2.287 0.559) 2.452 10.371 ( -0.428 1.359 -0.505) 1.511======================= Grid point 329 (138/189) =======================q-point: (-0.15 -0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.242 ( -5.813 0.000 7.916) 9.821 0.251 ( -9.197 0.000 0.635) 9.219 0.526 ( -12.334 0.000 17.483) 21.396 0.748 ( -2.965 0.000 1.094) 3.160 0.863 ( -0.610 0.000 -4.515) 4.556 0.880 ( -6.231 0.000 1.687) 6.455 1.216 ( 0.316 -0.000 -4.374) 4.386 1.455 ( 6.916 -0.000 -12.110) 13.946 1.513 ( -3.158 0.000 7.700) 8.323 1.989 ( -3.189 0.000 9.539) 10.058 2.106 ( 2.442 -0.000 2.132) 3.241 2.151 ( 6.601 -0.000 -9.613) 11.661 2.362 ( 8.187 -0.000 -0.278) 8.191 2.363 ( 1.296 -0.000 1.280) 1.822 2.708 ( -0.481 0.000 11.429) 11.439 3.115 ( 3.191 -0.000 -1.411) 3.489 3.161 ( 1.839 -0.000 3.286) 3.766 3.629 ( 8.056 -0.000 -12.369) 14.761 3.674 ( -1.209 0.000 1.509) 1.934 3.913 ( 1.132 -0.000 -2.082) 2.370 4.272 ( -4.783 0.000 8.056) 9.369 4.475 ( -0.801 0.000 -0.470) 0.929 4.762 ( -3.234 0.000 3.317) 4.632 4.989 ( 1.259 -0.000 -3.828) 4.030 5.609 ( -0.211 0.000 0.820) 0.846 5.712 ( -2.414 0.000 3.027) 3.872 5.764 ( 0.832 -0.000 0.049) 0.834 5.868 ( 1.831 -0.000 -3.318) 3.790 9.002 ( -0.978 0.000 2.096) 2.313 9.072 ( 1.600 -0.000 -1.540) 2.221 9.584 ( -0.170 0.000 0.151) 0.227 9.665 ( -0.932 0.000 -0.436) 1.029 10.068 ( 0.565 -0.000 1.546) 1.646 10.171 ( -1.709 0.000 3.120) 3.557 10.394 ( 0.703 -0.000 -1.315) 1.491 10.440 ( 1.741 -0.000 0.068) 1.742======================= Grid point 330 (139/189) =======================q-point: (-0.08 -0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.249 ( -6.898 -4.604 3.741) 9.098 0.308 ( -3.999 -7.478 6.238) 10.527 0.603 ( -7.099 -7.358 13.196) 16.694 0.721 ( -3.984 -0.823 -1.707) 4.411 0.852 ( -3.928 -1.004 -1.218) 4.233 0.922 ( -1.856 -5.753 1.379) 6.200 1.177 ( 1.331 2.131 -3.300) 4.147 1.515 ( -3.626 0.475 9.286) 9.980 1.543 ( 6.852 -7.590 -12.290) 15.988 2.033 ( -1.167 -2.740 7.433) 8.007 2.137 ( 1.606 -1.406 1.155) 2.427 2.192 ( 5.664 -2.297 -9.062) 10.931 2.326 ( 2.607 5.158 0.766) 5.830 2.363 ( 3.354 2.189 -1.416) 4.248 2.712 ( -1.607 2.342 10.886) 11.250 3.119 ( 1.793 0.773 -0.596) 2.041 3.207 ( 1.927 -2.125 2.173) 3.599 3.634 ( 6.492 0.313 -9.007) 11.108 3.742 ( 1.472 -4.888 -0.451) 5.125 3.948 ( 1.458 -3.836 -3.124) 5.157 4.299 ( -4.314 -3.108 7.757) 9.404 4.503 ( 1.285 -2.432 -1.837) 3.307 4.765 ( -3.979 -1.466 4.438) 6.138 5.031 ( 3.090 -4.139 -5.485) 7.534 5.615 ( 0.170 -0.377 1.055) 1.133 5.704 ( -2.432 0.280 3.143) 3.984 5.769 ( 0.352 -0.213 -0.311) 0.515 5.856 ( 1.472 1.000 -3.286) 3.737 8.999 ( -0.949 0.150 1.703) 1.955 9.074 ( 1.402 0.315 -1.153) 1.842 9.588 ( -0.019 -0.356 0.159) 0.390 9.655 ( -0.927 0.300 -0.469) 1.082 10.078 ( 0.907 0.134 2.086) 2.278 10.185 ( -0.670 -1.203 1.574) 2.091 10.386 ( 0.806 0.915 -1.064) 1.618 10.409 ( -0.783 3.211 0.695) 3.377======================= Grid point 343 (140/189) =======================q-point: (-0.08 -0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.172 ( -5.714 0.000 6.973) 9.015 0.246 ( -4.044 0.000 11.900) 12.568 0.508 ( -10.692 0.000 20.868) 23.448 0.686 ( -4.369 0.000 -4.293) 6.125 0.827 ( 0.310 -0.000 -6.009) 6.017 0.846 ( -3.028 0.000 4.133) 5.124 1.203 ( 2.034 -0.000 -3.393) 3.956 1.459 ( 6.715 -0.000 -12.502) 14.191 1.537 ( -2.262 0.000 10.181) 10.430 2.010 ( -4.079 0.000 10.643) 11.397 2.140 ( 1.099 -0.000 2.064) 2.339 2.160 ( 5.817 -0.000 -11.097) 12.529 2.374 ( -0.676 0.000 0.475) 0.826 2.468 ( 9.053 -0.000 -3.122) 9.576 2.779 ( -0.209 0.000 8.885) 8.887 3.130 ( -1.147 0.000 2.927) 3.143 3.203 ( 3.668 -0.000 -2.228) 4.292 3.652 ( 8.054 -0.000 -11.924) 14.389 3.683 ( -0.212 0.000 3.618) 3.624 3.910 ( 1.020 -0.000 -2.067) 2.305 4.269 ( -4.112 0.000 7.934) 8.936 4.460 ( -0.767 0.000 -0.846) 1.142 4.752 ( -2.119 0.000 3.727) 4.287 4.980 ( 1.479 -0.000 -4.030) 4.293 5.618 ( 0.574 -0.000 1.382) 1.497 5.702 ( -2.569 0.000 3.307) 4.188 5.766 ( -0.086 0.000 -0.880) 0.884 5.868 ( 1.620 -0.000 -3.812) 4.142 8.999 ( -1.337 0.000 1.577) 2.067 9.079 ( 1.269 -0.000 -1.544) 1.998 9.586 ( 0.234 -0.000 0.302) 0.382 9.651 ( -0.782 0.000 -0.624) 1.000 10.113 ( 4.488 -0.000 2.812) 5.296 10.163 ( -2.379 0.000 2.277) 3.293 10.398 ( 1.054 -0.000 -0.901) 1.387 10.453 ( 0.047 -0.000 -1.901) 1.902======================= Grid point 344 (141/189) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.433 ( -2.828 0.000 -8.885) 9.325 0.433 ( 2.828 -0.000 8.885) 9.325 0.559 ( 2.021 -0.000 -10.877) 11.064 0.559 ( -2.021 0.000 10.877) 11.064 0.874 ( 1.993 -0.000 -4.617) 5.029 0.874 ( -1.993 0.000 4.617) 5.029 1.216 ( 1.444 -0.000 -6.284) 6.447 1.216 ( -1.444 0.000 6.284) 6.447 1.851 ( 5.156 -0.000 -14.299) 15.200 1.851 ( -5.156 0.000 14.299) 15.200 2.189 ( 0.672 -0.000 -1.734) 1.860 2.189 ( -0.672 0.000 1.734) 1.860 2.375 ( 4.399 -0.000 -4.767) 6.486 2.375 ( -4.399 0.000 4.767) 6.486 2.981 ( 5.026 -0.000 -9.754) 10.973 2.981 ( -5.026 0.000 9.754) 10.973 3.389 ( 6.094 -0.000 -11.797) 13.277 3.389 ( -6.094 0.000 11.797) 13.277 3.822 ( -0.268 0.000 -4.758) 4.765 3.822 ( 0.268 -0.000 4.758) 4.765 4.398 ( 0.811 -0.000 -3.581) 3.671 4.398 ( -0.811 0.000 3.581) 3.671 4.860 ( 2.748 -0.000 -5.756) 6.379 4.860 ( -2.748 0.000 5.756) 6.379 5.696 ( -1.158 0.000 -2.854) 3.080 5.696 ( 1.158 -0.000 2.854) 3.080 5.779 ( 2.940 -0.000 -4.243) 5.162 5.779 ( -2.940 0.000 4.243) 5.162 9.039 ( 1.230 -0.000 -2.221) 2.539 9.039 ( -1.230 0.000 2.221) 2.539 9.613 ( -0.586 0.000 -1.144) 1.286 9.613 ( 0.586 -0.000 1.144) 1.286 10.176 ( -4.071 0.000 1.328) 4.282 10.176 ( 4.071 -0.000 -1.328) 4.282 10.398 ( -2.388 0.000 0.267) 2.403 10.398 ( 2.388 -0.000 -0.267) 2.403======================= Grid point 346 (142/189) =======================q-point: ( 0.08 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.408 ( -0.730 -1.816 -8.102) 8.335 0.491 ( 3.147 -1.327 7.082) 7.863 0.551 ( 3.022 -1.693 -9.782) 10.377 0.598 ( -0.550 -2.024 9.508) 9.737 0.925 ( 1.579 -4.312 -4.509) 6.435 0.938 ( -0.776 -4.434 3.923) 5.971 1.243 ( 3.946 -4.477 -10.280) 11.886 1.262 ( -3.532 -4.134 9.591) 11.025 1.843 ( 4.770 -0.559 -14.995) 15.746 1.876 ( -5.652 -0.948 14.833) 15.902 2.196 ( -0.878 -1.283 -2.240) 2.727 2.208 ( -0.203 -1.933 0.088) 1.946 2.306 ( -4.607 4.802 3.957) 7.742 2.336 ( 2.984 4.383 -1.567) 5.530 2.956 ( -2.938 1.366 -0.954) 3.378 2.983 ( -0.083 0.221 1.586) 1.604 3.395 ( -1.934 -1.177 0.993) 2.472 3.408 ( 1.009 -1.689 -0.834) 2.137 3.840 ( -0.356 -3.486 -4.560) 5.751 3.870 ( -0.066 -3.081 3.921) 4.987 4.417 ( -0.327 -2.330 -1.515) 2.798 4.434 ( 0.702 -2.677 1.678) 3.236 4.883 ( 0.976 -2.397 -1.376) 2.931 4.884 ( -0.334 -2.472 1.492) 2.907 5.682 ( -1.007 -0.182 -2.766) 2.950 5.713 ( 1.141 -0.088 2.727) 2.957 5.772 ( -2.978 0.310 4.087) 5.066 5.782 ( 2.860 0.195 -3.963) 4.891 9.037 ( -0.829 0.014 0.181) 0.849 9.046 ( 0.756 -0.293 -0.236) 0.844 9.608 ( -0.316 -0.112 -0.994) 1.049 9.621 ( 0.748 -0.007 0.999) 1.248 10.151 ( -3.455 0.351 0.167) 3.476 10.190 ( 3.404 0.566 -0.995) 3.591 10.371 ( -2.457 1.216 1.179) 2.984 10.394 ( 1.768 1.586 -0.181) 2.382======================= Grid point 347 (143/189) =======================q-point: ( 0.15 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.441 ( 1.021 -3.565 -5.040) 6.257 0.564 ( 2.516 -2.457 4.699) 5.869 0.609 ( 2.802 -5.211 -6.361) 8.687 0.691 ( 0.490 -4.750 7.016) 8.487 0.978 ( 1.948 -1.492 -5.660) 6.169 1.007 ( -0.130 -1.954 3.674) 4.164 1.366 ( 5.955 -8.802 -13.184) 16.934 1.399 ( -5.323 -9.174 12.759) 16.592 1.816 ( 3.687 1.596 -13.707) 14.284 1.889 ( -5.698 1.483 14.061) 15.244 2.200 ( -2.691 -0.127 -2.767) 3.861 2.221 ( -1.572 -0.213 -0.925) 1.837 2.261 ( -0.387 -2.488 1.720) 3.049 2.286 ( 1.502 1.577 1.589) 2.695 2.899 ( -4.592 1.616 -0.682) 4.916 2.980 ( 0.157 0.545 1.025) 1.172 3.414 ( -2.742 -1.912 1.675) 3.739 3.448 ( 1.302 -1.949 -1.347) 2.704 3.908 ( 0.073 -5.127 -4.269) 6.672 3.948 ( -0.842 -4.031 3.425) 5.356 4.456 ( -2.363 -2.492 1.904) 3.927 4.499 ( 2.782 -2.892 -2.179) 4.566 4.942 ( -3.821 -3.655 7.122) 8.870 4.961 ( 4.549 -4.722 -6.203) 9.026 5.674 ( -0.668 -0.507 -2.512) 2.648 5.731 ( 1.058 -0.198 2.372) 2.605 5.760 ( -2.808 0.163 3.424) 4.431 5.784 ( 2.456 0.023 -3.301) 4.114 9.029 ( -1.077 0.251 0.107) 1.112 9.050 ( 0.630 0.328 -0.358) 0.796 9.609 ( -0.008 -0.415 -0.724) 0.834 9.630 ( 0.778 -0.136 0.704) 1.058 10.127 ( -2.351 0.122 -0.944) 2.536 10.194 ( 2.198 0.643 0.078) 2.291 10.339 ( -1.583 1.277 1.466) 2.507 10.368 ( 1.446 1.900 -0.585) 2.458======================= Grid point 348 (144/189) =======================q-point: ( 0.23 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.505 ( 0.995 -3.338 -1.974) 4.003 0.635 ( 1.982 -1.959 2.900) 4.022 0.721 ( 1.572 -6.407 -2.784) 7.160 0.815 ( 0.845 -5.870 4.728) 7.584 0.979 ( 1.482 0.162 -5.224) 5.433 1.052 ( 2.726 -1.621 1.432) 3.480 1.536 ( 4.517 -9.253 -10.815) 14.933 1.589 ( -4.963 -9.281 11.540) 15.618 1.748 ( 1.178 2.636 -8.079) 8.579 1.840 ( -3.096 3.742 7.318) 8.783 2.186 ( -3.690 -1.627 -0.267) 4.041 2.259 ( 0.501 -3.656 -2.465) 4.438 2.278 ( -1.435 -0.634 2.347) 2.823 2.333 ( 0.908 -3.418 0.649) 3.595 2.842 ( -4.708 1.364 0.293) 4.910 2.970 ( 0.428 0.829 -0.209) 0.956 3.442 ( -1.362 -1.982 0.078) 2.406 3.481 ( 0.253 -1.114 0.225) 1.164 3.994 ( 0.043 -4.920 -3.064) 5.796 4.024 ( -1.299 -3.655 2.236) 4.477 4.497 ( -2.202 -2.918 2.283) 4.310 4.561 ( 3.044 -2.784 -3.224) 5.235 5.011 ( -4.855 -3.632 8.588) 10.512 5.059 ( 5.264 -4.391 -7.015) 9.808 5.677 ( -0.343 -0.884 -2.109) 2.312 5.750 ( 0.980 -0.471 1.662) 1.986 5.757 ( -2.307 -0.479 2.897) 3.734 5.791 ( 1.737 -0.379 -2.510) 3.076 9.016 ( -0.902 0.410 0.017) 0.991 9.040 ( 0.263 0.779 -0.422) 0.925 9.617 ( 0.171 -0.538 -0.361) 0.670 9.639 ( 0.709 -0.111 0.246) 0.758 10.114 ( -1.602 -0.353 -0.822) 1.835 10.195 ( 1.360 0.464 0.497) 1.520 10.313 ( -0.680 1.219 0.994) 1.714 10.342 ( 1.229 1.532 -0.493) 2.025======================= Grid point 349 (145/189) =======================q-point: ( 0.31 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.553 ( 0.067 -1.741 -0.256) 1.761 0.669 ( 1.093 0.204 1.442) 1.821 0.836 ( 0.458 -5.213 0.357) 5.245 0.940 ( 0.509 -4.782 2.355) 5.355 0.981 ( 2.300 -2.317 -4.485) 5.547 1.118 ( 4.879 -2.550 -0.005) 5.506 1.602 ( 1.584 2.776 -6.874) 7.581 1.685 ( -3.708 1.727 7.244) 8.319 1.767 ( -0.366 -8.076 -4.021) 9.029 1.847 ( -1.987 -6.456 4.396) 8.060 2.197 ( -3.648 -1.516 0.640) 4.002 2.298 ( -0.102 -1.699 0.069) 1.704 2.332 ( 0.550 -4.217 -1.684) 4.574 2.400 ( 0.752 -2.785 0.523) 2.932 2.790 ( -4.349 1.577 1.794) 4.961 2.951 ( 0.672 1.291 -1.534) 2.115 3.468 ( 1.232 -1.264 -3.348) 3.785 3.496 ( -1.479 -0.481 3.579) 3.902 4.059 ( -3.310 -2.830 3.602) 5.651 4.083 ( 1.510 -2.977 -4.354) 5.486 4.557 ( -0.055 -3.789 -0.210) 3.796 4.622 ( 1.321 -3.042 -0.832) 3.419 5.066 ( -5.394 -2.405 9.943) 11.565 5.131 ( 5.526 -2.242 -8.358) 10.268 5.687 ( -0.345 -0.976 -1.599) 1.905 5.762 ( -0.646 -0.527 1.078) 1.362 5.778 ( -0.171 -1.290 2.475) 2.796 5.805 ( 1.234 -1.012 -1.962) 2.529 9.004 ( -0.562 0.387 -0.081) 0.687 9.026 ( 0.081 0.625 -0.282) 0.690 9.627 ( 0.114 -0.379 0.141) 0.420 9.644 ( 0.670 -0.024 -0.386) 0.774 10.114 ( -1.222 -0.712 -0.118) 1.419 10.194 ( 0.755 0.557 0.271) 0.976 10.292 ( 0.084 1.036 0.199) 1.058 10.323 ( 0.858 1.112 0.013) 1.404======================= Grid point 350 (146/189) =======================q-point: ( 0.38 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.573 ( -0.702 -0.742 0.612) 1.191 0.656 ( 0.728 1.747 0.036) 1.893 0.900 ( -0.236 -1.366 1.005) 1.712 1.013 ( 0.971 -4.192 -1.079) 4.436 1.083 ( 2.431 -5.446 -0.830) 6.021 1.198 ( 4.770 -2.579 -0.433) 5.439 1.509 ( -0.730 4.599 -3.715) 5.957 1.612 ( -2.824 4.224 4.418) 6.734 1.922 ( 0.439 -8.665 -5.216) 10.123 1.991 ( -3.335 -7.301 5.919) 9.973 2.200 ( -2.796 -0.495 2.457) 3.754 2.331 ( 2.088 -1.280 -3.271) 4.087 2.404 ( 0.364 -3.295 -0.515) 3.355 2.445 ( 0.630 -1.379 -0.185) 1.528 2.739 ( -3.734 1.964 2.853) 5.093 2.923 ( 0.681 1.399 -2.013) 2.544 3.477 ( 1.826 0.036 -3.777) 4.196 3.510 ( -1.517 -0.641 3.942) 4.272 4.088 ( -4.441 -1.429 6.058) 7.646 4.121 ( 2.827 -1.557 -6.709) 7.445 4.629 ( 1.824 -3.508 -2.717) 4.797 4.681 ( -0.689 -2.648 1.959) 3.365 5.099 ( -5.414 -1.232 10.770) 12.117 5.157 ( 5.383 -0.078 -9.496) 10.916 5.697 ( -0.261 -0.781 -1.270) 1.514 5.768 ( -0.611 -0.107 1.212) 1.361 5.812 ( 0.061 -1.550 1.142) 1.927 5.829 ( 0.857 -1.265 -1.087) 1.875 8.995 ( -0.284 0.254 -0.078) 0.389 9.017 ( 0.072 0.270 -0.148) 0.316 9.632 ( -0.016 -0.110 0.400) 0.415 9.647 ( 0.572 -0.067 -0.648) 0.868 10.123 ( -0.967 -0.940 0.479) 1.431 10.184 ( 0.355 0.934 -0.187) 1.016 10.278 ( 0.484 0.582 -0.269) 0.804 10.311 ( 0.449 0.732 0.321) 0.917======================= Grid point 351 (147/189) =======================q-point: ( 0.46 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.587 ( -0.863 -1.142 1.096) 1.803 0.622 ( 0.759 1.890 -0.916) 2.233 0.914 ( -0.063 -0.282 0.215) 0.360 1.083 ( 0.341 -2.232 0.181) 2.265 1.174 ( 1.385 -2.678 -0.794) 3.118 1.262 ( 2.603 -1.675 -0.258) 3.106 1.417 ( -1.318 2.931 -1.277) 3.458 1.545 ( -1.332 2.132 1.799) 3.091 2.038 ( 0.247 -4.421 -3.415) 5.592 2.086 ( -1.729 -2.450 2.971) 4.221 2.203 ( -1.569 -0.305 3.281) 3.650 2.343 ( 2.132 0.120 -3.376) 3.995 2.449 ( -0.277 -1.254 0.802) 1.515 2.462 ( 0.602 -0.389 -1.005) 1.234 2.698 ( -1.730 1.098 1.657) 2.635 2.901 ( 0.294 0.614 -0.938) 1.159 3.473 ( 0.590 0.176 -1.190) 1.340 3.522 ( -0.384 -0.253 1.249) 1.331 4.101 ( -2.088 -0.496 2.998) 3.687 4.136 ( 1.455 -0.405 -3.279) 3.610 4.682 ( 1.541 -1.607 -2.275) 3.183 4.717 ( -1.097 -0.917 1.987) 2.448 5.121 ( -4.602 -0.899 9.643) 10.723 5.147 ( 4.563 0.867 -9.109) 10.225 5.704 ( -0.045 -0.326 -0.593) 0.678 5.768 ( -0.320 0.036 0.584) 0.667 5.837 ( 0.070 -0.676 0.323) 0.752 5.849 ( 0.312 -0.555 -0.328) 0.716 8.991 ( -0.087 0.085 -0.024) 0.124 9.014 ( 0.042 0.054 -0.050) 0.085 9.634 ( -0.014 -0.004 0.157) 0.158 9.649 ( 0.220 -0.045 -0.259) 0.343 10.139 ( -0.603 -0.966 0.632) 1.302 10.165 ( 0.314 1.019 -0.503) 1.179 10.273 ( 0.264 0.157 -0.187) 0.360 10.304 ( 0.124 0.270 0.193) 0.354======================= Grid point 359 (148/189) =======================q-point: ( 0.08 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.363 ( 1.543 -0.000 -9.247) 9.375 0.482 ( 0.534 -0.000 -5.065) 5.093 0.580 ( 8.800 -0.000 1.078) 8.866 0.610 ( -0.799 0.000 9.504) 9.537 0.876 ( 3.564 -0.000 -5.027) 6.162 0.882 ( -1.385 0.000 3.960) 4.195 1.193 ( 1.828 -0.000 -6.658) 6.904 1.236 ( -1.432 0.000 5.437) 5.623 1.817 ( 4.601 -0.000 -14.610) 15.317 1.873 ( -6.009 0.000 13.707) 14.966 2.175 ( -0.441 0.000 -3.065) 3.096 2.180 ( -1.511 0.000 -0.155) 1.519 2.343 ( -6.966 0.000 6.521) 9.542 2.392 ( 2.010 -0.000 -2.337) 3.082 2.962 ( 1.604 -0.000 -8.738) 8.884 2.967 ( -7.780 0.000 10.593) 13.143 3.383 ( -7.309 0.000 11.788) 13.870 3.383 ( 5.483 -0.000 -11.745) 12.962 3.785 ( -0.538 0.000 -5.156) 5.184 3.851 ( -0.101 0.000 3.693) 3.694 4.390 ( 1.622 -0.000 -3.457) 3.818 4.414 ( -0.479 0.000 3.731) 3.762 4.860 ( 3.360 -0.000 -5.779) 6.685 4.868 ( -1.929 0.000 5.623) 5.945 5.665 ( -0.876 0.000 -2.678) 2.818 5.728 ( 1.090 -0.000 2.513) 2.739 5.771 ( -3.058 0.000 4.585) 5.511 5.788 ( 2.826 -0.000 -4.122) 4.998 9.037 ( -1.384 0.000 2.111) 2.524 9.041 ( 1.438 -0.000 -2.128) 2.568 9.602 ( 0.003 -0.000 -1.135) 1.135 9.630 ( 0.804 -0.000 1.173) 1.423 10.133 ( -3.772 0.000 0.321) 3.786 10.214 ( 3.683 -0.000 -2.142) 4.261 10.371 ( -2.715 0.000 1.569) 3.135 10.421 ( 0.740 -0.000 0.786) 1.080======================= Grid point 360 (149/189) =======================q-point: ( 0.15 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.378 ( 3.714 -2.634 -7.296) 8.600 0.492 ( 1.139 -3.113 -7.280) 7.999 0.617 ( 5.609 0.965 4.332) 7.152 0.658 ( 2.028 -1.859 7.116) 7.629 0.920 ( 1.797 -3.653 -3.557) 5.407 0.958 ( 0.942 -4.537 2.379) 5.209 1.229 ( 4.747 -4.994 -10.413) 12.486 1.278 ( -3.509 -4.024 8.745) 10.246 1.803 ( 4.423 -0.334 -14.682) 15.337 1.893 ( -6.949 -1.160 14.251) 15.897 2.160 ( -2.108 -0.531 -3.150) 3.828 2.197 ( -0.699 -2.145 -1.402) 2.656 2.271 ( -6.100 3.828 5.131) 8.843 2.356 ( 1.283 3.507 -0.658) 3.791 2.904 ( -4.093 2.139 -1.162) 4.762 2.974 ( -3.557 -0.829 2.763) 4.580 3.375 ( -3.268 -0.840 2.679) 4.308 3.408 ( 0.857 -2.214 -2.512) 3.457 3.804 ( -0.485 -3.869 -4.570) 6.007 3.889 ( -0.408 -2.763 3.016) 4.111 4.408 ( 0.382 -1.815 -1.199) 2.209 4.453 ( 0.503 -2.723 1.568) 3.183 4.890 ( 2.395 -2.498 -3.021) 4.594 4.894 ( -0.592 -2.358 3.184) 4.006 5.655 ( -0.539 -0.284 -2.416) 2.492 5.742 ( 0.710 -0.059 1.817) 1.952 5.763 ( -2.792 0.459 4.710) 5.494 5.790 ( 2.619 0.161 -3.906) 4.706 9.028 ( -0.965 0.361 0.551) 1.168 9.052 ( 0.662 -0.367 -0.671) 1.012 9.601 ( 0.342 -0.190 -1.014) 1.087 9.637 ( 0.770 0.083 1.030) 1.289 10.110 ( -2.938 0.071 -0.419) 2.969 10.220 ( 2.660 0.688 -1.576) 3.168 10.354 ( -1.865 0.774 1.845) 2.735 10.409 ( 0.488 1.573 0.233) 1.664======================= Grid point 361 (150/189) =======================q-point: ( 0.23 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.447 ( 4.263 -3.605 -3.824) 6.767 0.567 ( 1.069 -5.708 -4.284) 7.216 0.664 ( 4.468 -1.475 2.669) 5.410 0.744 ( 1.218 -3.877 6.111) 7.339 0.965 ( 1.733 -1.214 -5.190) 5.605 1.038 ( 2.151 -2.321 2.347) 3.940 1.358 ( 6.185 -8.422 -12.349) 16.177 1.414 ( -5.109 -9.297 11.645) 15.752 1.776 ( 3.824 1.522 -12.768) 13.415 1.897 ( -7.333 1.352 12.977) 14.966 2.142 ( -3.724 -0.306 -2.604) 4.555 2.200 ( -1.046 -0.995 -0.480) 1.521 2.254 ( -2.508 -2.578 1.730) 3.991 2.309 ( 1.015 1.319 0.540) 1.749 2.839 ( -4.019 1.520 -0.874) 4.385 2.970 ( -3.023 -0.258 1.588) 3.425 3.392 ( -2.977 -2.102 2.352) 4.337 3.450 ( 0.704 -2.217 -1.936) 3.027 3.880 ( -0.002 -5.598 -4.183) 6.988 3.956 ( -1.187 -3.573 2.776) 4.678 4.445 ( -1.521 -2.232 2.023) 3.374 4.515 ( 2.171 -2.936 -2.563) 4.461 4.946 ( -2.984 -3.174 7.030) 8.271 4.978 ( 4.360 -4.972 -5.676) 8.715 5.654 ( -0.110 -0.641 -1.990) 2.093 5.746 ( -1.737 -0.052 1.909) 2.581 5.760 ( -0.074 0.122 3.417) 3.420 5.790 ( 2.039 0.079 -3.336) 3.911 9.017 ( -1.037 0.313 0.305) 1.125 9.051 ( 0.224 0.435 -0.744) 0.890 9.608 ( 0.583 -0.475 -0.740) 1.055 9.644 ( 0.658 0.026 0.736) 0.988 10.095 ( -1.811 -0.267 -0.678) 1.952 10.215 ( 1.395 0.697 -0.461) 1.627 10.334 ( -0.734 1.030 1.567) 2.014 10.379 ( 0.924 1.791 -0.502) 2.077======================= Grid point 362 (151/189) =======================q-point: ( 0.31 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.522 ( 2.826 -2.447 -0.723) 3.808 0.658 ( 0.793 -3.166 -0.287) 3.276 0.747 ( 3.774 -4.427 -0.174) 5.820 0.853 ( 0.078 -5.309 4.868) 7.203 0.965 ( 1.994 0.089 -5.164) 5.536 1.102 ( 4.155 -2.208 0.529) 4.735 1.524 ( 4.342 -9.076 -9.548) 13.870 1.598 ( -5.125 -8.667 10.462) 14.520 1.714 ( 1.375 2.522 -7.250) 7.798 1.839 ( -4.191 3.556 6.198) 8.285 2.135 ( -4.084 -2.262 -0.535) 4.699 2.250 ( -0.129 -3.914 -0.521) 3.950 2.270 ( -1.493 -1.099 0.249) 1.870 2.345 ( 0.214 -3.317 0.926) 3.451 2.793 ( -3.248 1.004 0.153) 3.403 2.957 ( -2.528 0.175 0.166) 2.540 3.428 ( -1.037 -2.442 0.220) 2.662 3.482 ( -0.217 -1.333 0.271) 1.378 3.973 ( -0.092 -5.219 -3.163) 6.103 4.018 ( -1.691 -3.205 1.778) 4.037 4.492 ( -1.220 -3.084 2.454) 4.125 4.572 ( 2.407 -2.840 -3.710) 5.256 5.013 ( -3.999 -3.326 8.835) 10.252 5.076 ( 4.743 -4.304 -6.835) 9.367 5.663 ( 0.028 -0.859 -1.382) 1.627 5.746 ( -1.577 -0.600 1.930) 2.563 5.773 ( 0.353 -0.389 2.139) 2.202 5.793 ( 1.376 -0.346 -2.708) 3.057 9.006 ( -0.784 0.294 0.135) 0.848 9.037 ( -0.068 0.734 -0.650) 0.983 9.620 ( 0.599 -0.538 -0.355) 0.880 9.648 ( 0.501 0.097 0.247) 0.567 10.093 ( -1.097 -0.636 -0.191) 1.282 10.209 ( 0.579 0.548 -0.111) 0.805 10.316 ( 0.062 1.194 0.933) 1.517 10.353 ( 1.024 1.488 -0.454) 1.863======================= Grid point 363 (152/189) =======================q-point: ( 0.38 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.563 ( 0.982 -0.727 0.788) 1.453 0.684 ( 0.569 0.460 0.069) 0.735 0.861 ( 2.811 -4.494 0.899) 5.377 0.953 ( 0.933 -2.416 -0.412) 2.622 0.989 ( 1.874 -4.838 -1.512) 5.405 1.176 ( 4.458 -2.606 -0.356) 5.176 1.580 ( 1.674 3.852 -5.833) 7.188 1.679 ( -3.977 1.555 5.605) 7.046 1.737 ( -0.366 -7.958 -3.421) 8.670 1.845 ( -3.159 -6.728 4.846) 8.873 2.161 ( -2.282 -2.454 -0.017) 3.351 2.292 ( -0.906 -2.334 0.050) 2.504 2.332 ( 0.984 -4.283 -1.509) 4.647 2.409 ( 0.068 -2.815 0.493) 2.858 2.757 ( -2.957 1.300 1.782) 3.689 2.933 ( -2.114 0.656 -1.287) 2.560 3.464 ( 1.682 -1.523 -3.450) 4.129 3.501 ( -1.720 -0.705 3.870) 4.294 4.041 ( -3.520 -2.920 3.862) 5.986 4.069 ( 1.264 -3.049 -5.174) 6.137 4.561 ( 0.565 -3.927 0.477) 3.996 4.629 ( 1.103 -3.016 -1.624) 3.598 5.071 ( -4.597 -2.271 10.287) 11.494 5.142 ( 4.965 -1.989 -8.464) 10.012 5.675 ( -0.207 -0.858 -0.787) 1.182 5.760 ( -0.965 -0.779 1.552) 1.987 5.790 ( 0.322 -0.940 0.075) 0.997 5.808 ( 0.959 -1.181 -0.786) 1.712 8.998 ( -0.392 0.243 0.010) 0.462 9.023 ( -0.133 0.479 -0.353) 0.610 9.631 ( 0.358 -0.313 0.173) 0.506 9.648 ( 0.456 0.114 -0.375) 0.601 10.102 ( -0.758 -0.855 0.410) 1.214 10.200 ( 0.102 0.657 -0.337) 0.745 10.298 ( 0.657 1.098 0.187) 1.293 10.333 ( 0.641 1.184 0.027) 1.347======================= Grid point 364 (153/189) =======================q-point: ( 0.46 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.575 ( -0.087 -0.210 1.442) 1.460 0.662 ( 0.539 1.857 -0.714) 2.062 0.919 ( 2.486 -0.185 0.658) 2.579 1.022 ( 1.835 -4.393 -1.305) 4.937 1.103 ( 1.169 -5.347 -0.040) 5.474 1.242 ( 2.537 -2.023 -0.483) 3.281 1.482 ( 0.308 4.826 -3.274) 5.839 1.600 ( -3.493 4.073 4.123) 6.767 1.896 ( 1.070 -8.781 -5.175) 10.248 1.984 ( -3.965 -7.299 5.946) 10.216 2.193 ( -0.675 -1.453 1.883) 2.472 2.330 ( 1.187 -1.744 -2.951) 3.627 2.407 ( 0.499 -3.295 -0.282) 3.344 2.448 ( 0.352 -1.255 -0.504) 1.398 2.719 ( -2.602 1.614 2.911) 4.225 2.902 ( -2.015 0.556 -1.839) 2.784 3.477 ( 2.236 0.009 -3.749) 4.365 3.516 ( -1.703 -0.602 3.967) 4.359 4.074 ( -5.056 -1.738 7.542) 9.244 4.109 ( 3.221 -2.001 -8.556) 9.358 4.638 ( 1.810 -3.364 -1.396) 4.067 4.684 ( -0.280 -2.511 0.736) 2.632 5.107 ( -4.849 -1.140 10.969) 12.047 5.158 ( 4.992 0.182 -9.677) 10.891 5.688 ( -0.075 -0.876 -0.602) 1.066 5.766 ( -1.194 -0.168 1.462) 1.895 5.816 ( 1.024 -1.482 -1.667) 2.455 5.836 ( 0.248 -1.134 0.853) 1.440 8.993 ( -0.068 0.158 -0.003) 0.172 9.016 ( -0.117 0.160 -0.127) 0.236 9.636 ( 0.136 0.026 0.328) 0.356 9.649 ( 0.326 -0.026 -0.477) 0.579 10.118 ( -0.544 -1.018 0.761) 1.383 10.183 ( 0.023 0.889 -0.676) 1.117 10.285 ( 0.788 0.780 -0.252) 1.137 10.316 ( 0.136 0.879 0.329) 0.948======================= Grid point 365 (154/189) =======================q-point: ( 0.54 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.588 ( -0.376 -0.922 1.567) 1.857 0.626 ( 0.777 1.887 -1.076) 2.307 0.930 ( 2.660 0.625 -0.215) 2.741 1.091 ( 0.886 -1.566 -0.287) 1.822 1.180 ( -0.226 -1.854 0.302) 1.892 1.268 ( -1.605 0.081 -0.103) 1.610 1.411 ( 1.822 1.514 -1.231) 2.670 1.536 ( -1.815 1.480 1.463) 2.761 2.027 ( 1.762 -5.389 -3.762) 6.804 2.083 ( -2.095 -3.099 3.317) 5.000 2.213 ( 0.002 0.092 2.791) 2.793 2.342 ( 0.927 0.209 -2.782) 2.940 2.451 ( -0.235 -1.067 0.814) 1.363 2.462 ( 0.510 -0.330 -1.091) 1.249 2.694 ( -0.457 0.387 1.418) 1.539 2.882 ( -2.408 -0.476 -0.710) 2.556 3.475 ( 1.069 0.274 -1.171) 1.609 3.523 ( -0.716 -0.012 1.165) 1.368 4.096 ( -3.353 -1.059 5.890) 6.859 4.130 ( 2.628 -0.921 -6.326) 6.912 4.689 ( 0.361 -1.075 0.588) 1.278 4.717 ( 0.505 -0.920 -0.689) 1.255 5.128 ( -3.657 -0.505 8.033) 8.841 5.144 ( 3.722 0.818 -7.615) 8.515 5.702 ( 0.186 -0.601 -0.105) 0.638 5.765 ( -0.959 -0.139 0.828) 1.274 5.837 ( 1.207 -0.512 -2.409) 2.743 5.853 ( -0.490 -0.266 1.711) 1.800 8.991 ( 0.152 0.038 0.031) 0.160 9.014 ( -0.165 0.011 0.004) 0.165 9.635 ( 0.168 0.113 -0.043) 0.207 9.649 ( -0.099 0.013 0.056) 0.115 10.138 ( -0.271 -1.053 0.679) 1.282 10.165 ( 0.247 0.862 -0.758) 1.175 10.276 ( 0.432 0.434 -0.203) 0.645 10.304 ( -0.245 0.449 0.208) 0.552======================= Grid point 366 (155/189) =======================q-point: (-0.38 0.08 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.595 ( 1.318 1.043 -0.827) 1.873 0.620 ( -0.683 -1.522 1.007) 1.949 0.929 ( 2.739 1.179 -0.674) 3.058 1.080 ( 0.377 2.650 -0.817) 2.799 1.156 ( -3.277 3.381 2.447) 5.306 1.218 ( -4.029 2.509 -0.381) 4.761 1.451 ( 2.220 -3.292 1.633) 4.294 1.545 ( 0.749 -2.692 -2.081) 3.484 2.061 ( 0.227 3.645 3.132) 4.811 2.088 ( 1.550 2.146 -2.706) 3.786 2.210 ( 3.491 0.364 -3.876) 5.229 2.332 ( -3.379 -0.102 3.943) 5.194 2.448 ( 0.393 1.350 -0.743) 1.590 2.460 ( -0.661 0.552 0.842) 1.204 2.715 ( 2.963 -1.777 -1.772) 3.883 2.887 ( -3.010 -1.696 1.193) 3.655 3.476 ( -0.135 -0.046 1.171) 1.179 3.516 ( 0.075 0.414 -1.284) 1.351 4.108 ( 0.608 -0.051 0.080) 0.615 4.136 ( -0.173 -0.043 0.021) 0.179 4.681 ( -1.856 1.953 4.064) 4.876 4.717 ( 1.835 1.134 -3.699) 4.282 5.118 ( 5.306 0.933 -10.011) 11.368 5.148 ( -5.155 -0.615 9.513) 10.837 5.710 ( 0.225 0.022 1.005) 1.030 5.765 ( -0.378 -0.196 -0.313) 0.528 5.832 ( 1.086 0.859 -2.566) 2.916 5.849 ( -1.009 0.830 1.915) 2.318 8.993 ( 0.308 -0.127 0.055) 0.337 9.013 ( -0.246 -0.101 0.093) 0.282 9.634 ( 0.226 0.113 -0.323) 0.410 9.647 ( -0.498 0.098 0.501) 0.713 10.144 ( 0.816 0.715 -0.617) 1.248 10.164 ( -0.364 -0.948 0.341) 1.071 10.273 ( -0.028 0.065 0.185) 0.198 10.299 ( -0.453 -0.110 -0.191) 0.504======================= Grid point 367 (156/189) =======================q-point: (-0.31 0.08 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.585 ( 1.446 0.973 0.105) 1.746 0.645 ( -0.890 -1.201 -0.434) 1.557 0.911 ( 2.639 2.500 -1.263) 3.848 1.011 ( 0.173 4.075 -0.512) 4.111 1.056 ( -3.882 5.213 3.247) 7.265 1.137 ( -4.666 2.841 -0.524) 5.488 1.544 ( 0.601 -4.284 4.270) 6.079 1.612 ( 1.957 -4.273 -4.631) 6.598 1.949 ( -0.806 8.542 5.274) 10.071 1.990 ( 2.675 7.549 -5.738) 9.852 2.228 ( 4.515 -0.185 -3.169) 5.519 2.321 ( -3.149 0.725 3.578) 4.821 2.405 ( -0.008 3.155 0.694) 3.230 2.436 ( -0.761 1.733 -0.199) 1.903 2.774 ( 4.811 -2.383 -2.698) 6.009 2.911 ( -3.383 -2.221 2.200) 4.606 3.480 ( -1.527 -0.012 3.717) 4.019 3.503 ( 1.378 0.557 -3.842) 4.119 4.104 ( 3.519 1.175 -4.483) 5.819 4.126 ( -2.414 1.225 4.792) 5.504 4.630 ( -1.257 3.553 3.474) 5.125 4.674 ( 0.608 2.919 -2.889) 4.152 5.102 ( 6.106 1.175 -10.320) 12.048 5.148 ( -5.937 0.406 9.419) 11.141 5.710 ( 0.340 0.623 1.772) 1.909 5.763 ( -0.287 0.032 -1.131) 1.167 5.805 ( 1.174 1.702 -2.402) 3.170 5.826 ( -1.291 1.353 1.788) 2.587 9.000 ( 0.444 -0.339 0.085) 0.565 9.016 ( -0.270 -0.361 0.135) 0.470 9.631 ( 0.269 0.200 -0.436) 0.550 9.643 ( -0.733 0.127 0.679) 1.007 10.135 ( 1.212 0.687 -0.207) 1.409 10.177 ( -0.731 -0.683 -0.127) 1.009 10.277 ( -0.013 -0.504 0.299) 0.586 10.302 ( -0.663 -0.630 -0.323) 0.970======================= Grid point 368 (157/189) =======================q-point: (-0.23 0.08 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.567 ( 1.440 2.284 1.273) 2.985 0.639 ( -1.741 0.721 -2.108) 2.827 0.843 ( 1.353 5.700 0.448) 5.875 0.910 ( -1.775 5.983 -2.361) 6.673 0.991 ( -0.694 1.093 4.302) 4.492 1.061 ( -3.536 1.985 -1.139) 4.213 1.629 ( -1.779 -1.961 7.738) 8.179 1.677 ( 2.993 -1.589 -8.062) 8.745 1.796 ( 0.009 7.640 4.195) 8.716 1.838 ( 1.112 6.542 -4.196) 7.851 2.238 ( 3.571 1.223 -0.916) 3.884 2.292 ( -1.313 1.431 0.302) 1.965 2.343 ( 0.648 3.810 1.319) 4.084 2.384 ( -1.266 2.890 -0.590) 3.209 2.839 ( 5.286 -1.945 -1.739) 5.894 2.936 ( -3.395 -1.877 1.671) 4.224 3.476 ( -1.055 0.914 3.251) 3.538 3.491 ( 1.246 0.420 -3.363) 3.611 4.074 ( 2.744 2.815 -3.136) 5.029 4.088 ( -1.745 2.884 3.447) 4.821 4.566 ( 0.959 3.610 0.511) 3.770 4.607 ( -1.627 3.189 0.087) 3.581 5.075 ( 6.075 2.512 -9.342) 11.423 5.114 ( -6.051 2.447 8.442) 10.671 5.704 ( 0.478 0.957 2.133) 2.387 5.749 ( -0.868 0.621 -1.854) 2.140 5.778 ( 1.965 1.225 -2.145) 3.156 5.800 ( -1.611 0.999 1.890) 2.677 9.012 ( 0.631 -0.533 0.068) 0.829 9.025 ( -0.337 -0.688 0.169) 0.784 9.627 ( 0.245 0.382 -0.134) 0.473 9.637 ( -0.733 0.180 0.304) 0.813 10.133 ( 1.496 0.426 0.535) 1.645 10.178 ( -1.280 -0.287 -0.652) 1.465 10.293 ( 0.495 -1.027 -0.166) 1.152 10.312 ( -0.956 -1.066 0.025) 1.432======================= Grid point 369 (158/189) =======================q-point: (-0.15 0.08 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.527 ( 1.774 3.601 2.987) 5.004 0.580 ( -3.011 2.856 -3.570) 5.474 0.738 ( 0.387 6.498 3.832) 7.554 0.774 ( -1.068 6.234 -4.265) 7.629 0.995 ( -0.749 0.088 4.247) 4.314 1.017 ( -0.715 0.761 -2.837) 3.023 1.553 ( -4.571 9.431 11.643) 15.665 1.572 ( 4.706 9.480 -11.893) 15.920 1.787 ( -1.309 -3.007 8.387) 9.005 1.821 ( 1.989 -3.496 -8.149) 9.087 2.227 ( 2.724 1.345 0.017) 3.038 2.254 ( -2.153 1.478 1.100) 2.833 2.291 ( 2.512 2.787 -1.230) 3.948 2.314 ( -1.790 3.241 -0.010) 3.703 2.900 ( 4.833 -1.583 -0.349) 5.097 2.949 ( -3.236 -1.396 0.356) 3.542 3.458 ( 1.277 1.513 0.061) 1.981 3.473 ( -0.844 1.179 -0.173) 1.460 4.011 ( -0.400 4.512 2.922) 5.391 4.021 ( 0.856 4.086 -2.648) 4.944 4.515 ( 3.094 2.827 -2.377) 4.818 4.540 ( -3.400 2.786 2.717) 5.168 5.021 ( 5.441 4.001 -8.026) 10.489 5.039 ( -5.552 4.288 7.429) 10.218 5.698 ( 0.674 0.757 2.467) 2.667 5.724 ( -0.898 0.600 -2.443) 2.671 5.770 ( 2.369 0.432 -2.404) 3.403 5.782 ( -2.159 0.422 2.410) 3.263 9.027 ( 0.871 -0.561 -0.040) 1.037 9.036 ( -0.630 -0.709 0.195) 0.968 9.620 ( 0.303 0.464 0.350) 0.655 9.628 ( -0.642 0.314 -0.301) 0.775 10.142 ( 1.842 0.010 1.091) 2.141 10.171 ( -1.771 -0.274 -0.947) 2.027 10.319 ( 1.177 -1.326 -0.860) 1.971 10.330 ( -1.340 -1.465 0.640) 2.086======================= Grid point 370 (159/189) =======================q-point: (-0.08 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 176Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.488 ( -2.439 3.042 -5.768) 6.962 0.488 ( 2.439 3.042 5.768) 6.962 0.643 ( 0.548 5.249 -7.577) 9.234 0.643 ( -0.548 5.249 7.577) 9.234 0.990 ( 1.795 1.668 -5.311) 5.849 0.990 ( -1.795 1.668 5.311) 5.849 1.381 ( 6.085 9.026 -14.112) 17.822 1.381 ( -6.085 9.026 14.112) 17.822 1.858 ( 4.583 -1.577 -14.651) 15.431 1.858 ( -4.583 -1.577 14.651) 15.431 2.239 ( 0.741 0.034 -3.973) 4.042 2.239 ( -0.741 0.034 3.973) 4.042 2.255 ( -0.493 0.376 -2.878) 2.945 2.255 ( 0.493 0.376 2.878) 2.945 2.953 ( 4.701 -1.273 -10.306) 11.399 2.953 ( -4.701 -1.273 10.306) 11.399 3.435 ( 5.224 1.854 -9.752) 11.218 3.435 ( -5.224 1.854 9.752) 11.218 3.932 ( 1.118 4.550 -4.833) 6.731 3.932 ( -1.118 4.550 4.833) 6.731 4.477 ( 2.577 2.743 -3.665) 5.253 4.477 ( -2.577 2.743 3.665) 5.253 4.947 ( 5.021 4.238 -8.307) 10.591 4.947 ( -5.021 4.238 8.307) 10.591 5.701 ( -0.969 0.333 -2.675) 2.864 5.701 ( 0.969 0.333 2.675) 2.864 5.773 ( 2.810 -0.064 -3.752) 4.688 5.773 ( -2.810 -0.064 3.752) 4.688 9.041 ( 0.855 -0.251 -1.848) 2.051 9.041 ( -0.855 -0.251 1.848) 2.051 9.617 ( -0.474 0.295 -0.759) 0.942 9.617 ( 0.474 0.295 0.759) 0.942 10.162 ( -0.800 -0.446 -1.983) 2.185 10.162 ( 0.800 -0.446 1.983) 2.185 10.353 ( 1.801 -1.662 -1.006) 2.649 10.353 ( -1.801 -1.662 1.006) 2.649======================= Grid point 374 (160/189) =======================q-point: ( 0.15 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.351 ( 4.855 -0.000 -7.316) 8.781 0.448 ( 2.157 -0.000 -8.611) 8.877 0.656 ( -0.810 0.000 7.346) 7.391 0.714 ( 9.424 -0.000 2.802) 9.832 0.891 ( -1.090 0.000 3.853) 4.004 0.902 ( 5.899 -0.000 -4.844) 7.633 1.178 ( 2.495 -0.000 -5.885) 6.392 1.250 ( -1.566 0.000 4.472) 4.739 1.778 ( 4.342 -0.000 -14.392) 15.032 1.879 ( -7.096 0.000 13.015) 14.824 2.142 ( -1.555 0.000 -2.920) 3.308 2.154 ( -2.021 0.000 -1.274) 2.389 2.288 ( -8.097 0.000 5.644) 9.870 2.391 ( -0.246 0.000 -1.522) 1.542 2.911 ( -0.716 0.000 -8.098) 8.129 2.932 ( -8.785 0.000 10.710) 13.853 3.362 ( -8.236 0.000 11.562) 14.195 3.373 ( 5.363 -0.000 -11.898) 13.051 3.747 ( -0.274 0.000 -4.602) 4.610 3.868 ( -0.349 0.000 2.599) 2.623 4.393 ( 2.394 -0.000 -3.329) 4.101 4.432 ( -0.720 0.000 3.910) 3.976 4.867 ( 3.739 -0.000 -5.720) 6.834 4.884 ( -1.291 0.000 5.202) 5.360 5.642 ( -0.210 0.000 -2.169) 2.179 5.746 ( -0.913 0.000 1.640) 1.877 5.770 ( -1.543 0.000 4.961) 5.195 5.795 ( 2.561 -0.000 -4.041) 4.784 9.031 ( -1.717 0.000 1.966) 2.610 9.046 ( 1.472 -0.000 -1.943) 2.438 9.599 ( 0.721 -0.000 -1.176) 1.379 9.647 ( 0.554 -0.000 1.207) 1.328 10.091 ( -2.815 0.000 -0.217) 2.824 10.236 ( 2.209 -0.000 -2.410) 3.270 10.357 ( -1.393 0.000 1.969) 2.412 10.426 ( -0.553 0.000 0.667) 0.866======================= Grid point 375 (161/189) =======================q-point: ( 0.23 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.397 ( 5.250 -3.273 -4.607) 7.714 0.468 ( 3.013 -3.504 -7.706) 8.986 0.681 ( -0.326 -0.701 6.762) 6.806 0.747 ( 6.586 0.864 0.789) 6.689 0.926 ( 1.470 -2.325 0.020) 2.751 0.998 ( 3.984 -4.660 0.618) 6.162 1.227 ( 5.525 -5.356 -9.879) 12.522 1.288 ( -3.673 -4.066 7.986) 9.685 1.765 ( 4.537 -0.477 -13.897) 14.626 1.888 ( -8.315 -0.977 13.329) 15.740 2.107 ( -3.056 0.244 -3.220) 4.446 2.176 ( -1.453 -2.710 -1.113) 3.271 2.223 ( -6.167 2.462 4.128) 7.819 2.355 ( -0.471 2.466 -1.091) 2.737 2.847 ( -3.028 2.148 -2.382) 4.411 2.936 ( -6.010 -1.302 4.274) 7.489 3.351 ( -4.475 -0.861 5.038) 6.794 3.398 ( 1.585 -2.531 -5.151) 5.954 3.773 ( -0.045 -4.023 -3.807) 5.539 3.899 ( -0.735 -2.504 2.165) 3.391 4.410 ( 0.960 -1.312 -0.838) 1.829 4.466 ( 0.095 -2.466 1.242) 2.763 4.902 ( 3.246 -2.766 -4.140) 5.943 4.909 ( -0.857 -2.119 4.088) 4.684 5.639 ( 0.253 -0.357 -1.766) 1.820 5.742 ( -2.074 0.083 2.094) 2.948 5.775 ( -0.356 0.330 3.719) 3.751 5.795 ( 2.235 0.209 -3.828) 4.438 9.020 ( -1.244 0.503 1.032) 1.693 9.053 ( 0.506 -0.149 -1.284) 1.388 9.603 ( 1.001 -0.230 -1.071) 1.484 9.652 ( 0.389 0.114 1.110) 1.182 10.077 ( -1.898 -0.210 -0.200) 1.920 10.232 ( 1.014 0.591 -1.712) 2.076 10.352 ( -0.314 0.578 1.677) 1.801 10.411 ( -0.078 1.219 -0.059) 1.223======================= Grid point 376 (162/189) =======================q-point: ( 0.31 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.486 ( 4.518 -3.535 -1.683) 5.978 0.561 ( 2.696 -6.083 -4.602) 8.090 0.724 ( 1.948 -1.648 3.358) 4.217 0.794 ( 1.923 -2.502 2.317) 3.914 0.961 ( 2.222 -0.572 -2.311) 3.257 1.088 ( 3.759 -2.327 1.531) 4.679 1.358 ( 5.957 -7.893 -10.935) 14.744 1.423 ( -4.776 -9.356 10.042) 14.532 1.747 ( 4.357 1.437 -11.668) 12.537 1.878 ( -8.357 1.063 11.365) 14.147 2.077 ( -4.099 -0.495 -2.396) 4.773 2.190 ( -0.593 -1.653 0.404) 1.802 2.221 ( -4.364 -2.848 1.292) 5.369 2.317 ( 0.266 0.411 -0.386) 0.623 2.794 ( -2.027 1.155 -1.495) 2.771 2.931 ( -5.246 -0.745 2.423) 5.827 3.374 ( -2.788 -2.394 3.163) 4.848 3.442 ( 0.566 -2.606 -2.748) 3.829 3.856 ( 0.309 -5.692 -3.612) 6.748 3.955 ( -1.535 -3.177 2.047) 4.079 4.444 ( -0.810 -2.078 2.277) 3.187 4.520 ( 1.564 -2.873 -2.921) 4.386 4.958 ( -2.269 -2.964 6.534) 7.525 4.993 ( 3.870 -4.983 -5.291) 8.234 5.647 ( 0.600 -0.653 -1.215) 1.504 5.736 ( -1.935 -0.162 2.233) 2.959 5.779 ( -0.031 0.133 2.462) 2.466 5.791 ( 1.670 0.196 -3.427) 3.817 9.008 ( -0.978 0.340 0.605) 1.199 9.046 ( -0.083 0.500 -1.172) 1.277 9.613 ( 1.070 -0.465 -0.786) 1.407 9.655 ( 0.237 0.148 0.831) 0.877 10.076 ( -0.975 -0.551 0.148) 1.129 10.220 ( 0.152 0.557 -0.941) 1.104 10.341 ( 0.319 1.032 1.297) 1.688 10.386 ( 0.721 1.483 -0.621) 1.762======================= Grid point 377 (163/189) =======================q-point: ( 0.38 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.557 ( 2.544 -1.609 0.659) 3.081 0.662 ( 1.078 -3.443 -1.706) 3.991 0.795 ( 4.048 -3.965 -0.928) 5.742 0.878 ( -0.598 -5.001 3.730) 6.268 0.969 ( 3.200 0.356 -2.587) 4.130 1.156 ( 3.895 -2.199 0.274) 4.481 1.518 ( 3.957 -8.965 -8.137) 12.737 1.598 ( -4.785 -7.699 8.612) 12.504 1.690 ( 1.680 2.524 -5.964) 6.690 1.819 ( -5.026 3.163 5.328) 7.978 2.085 ( -2.940 -3.412 -0.962) 4.606 2.241 ( -3.382 -2.067 1.122) 4.120 2.252 ( 0.745 -4.238 -1.090) 4.439 2.349 ( -0.416 -3.124 0.642) 3.216 2.765 ( -1.375 0.765 -0.244) 1.592 2.915 ( -4.520 -0.208 0.725) 4.583 3.420 ( -0.386 -2.812 0.383) 2.864 3.480 ( -0.498 -1.743 0.340) 1.845 3.952 ( 0.103 -5.247 -3.154) 6.123 4.005 ( -2.034 -2.811 1.361) 3.727 4.498 ( -0.606 -3.292 2.848) 4.395 4.573 ( 1.893 -2.968 -4.028) 5.349 5.025 ( -3.275 -3.192 8.664) 9.797 5.087 ( 4.137 -4.110 -6.835) 8.984 5.660 ( 0.447 -0.633 -0.495) 0.919 5.742 ( -1.171 -0.846 1.892) 2.380 5.782 ( 0.126 -0.006 -0.544) 0.559 5.794 ( 0.924 -0.636 -0.789) 1.371 8.999 ( -0.608 0.195 0.346) 0.726 9.030 ( -0.266 0.585 -0.835) 1.054 9.626 ( 0.863 -0.468 -0.376) 1.051 9.654 ( 0.137 0.249 0.327) 0.433 10.085 ( -0.427 -0.751 0.630) 1.069 10.208 ( -0.311 0.478 -0.824) 1.002 10.326 ( 0.707 1.262 0.767) 1.637 10.362 ( 0.813 1.420 -0.455) 1.698======================= Grid point 378 (164/189) =======================q-point: ( 0.46 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.583 ( 0.839 0.062 1.735) 1.928 0.684 ( 0.159 0.388 -1.411) 1.472 0.911 ( 4.317 -4.900 -0.305) 6.538 0.968 ( 1.877 -1.190 0.425) 2.263 1.002 ( 1.353 -5.176 -0.538) 5.377 1.216 ( 2.095 -2.019 -0.187) 2.916 1.569 ( 2.302 4.648 -4.985) 7.194 1.662 ( -3.714 1.389 3.967) 5.609 1.717 ( 0.486 -7.685 -2.920) 8.236 1.831 ( -4.424 -7.236 5.310) 10.006 2.144 ( -0.042 -3.709 -0.712) 3.777 2.276 ( -1.724 -3.116 0.068) 3.562 2.337 ( 1.105 -4.320 -1.075) 4.587 2.408 ( -0.665 -2.951 0.359) 3.047 2.740 ( -1.558 1.201 1.615) 2.545 2.887 ( -3.840 0.318 -1.035) 3.990 3.466 ( 2.304 -1.651 -3.489) 4.495 3.504 ( -2.003 -0.965 4.135) 4.695 4.023 ( -3.264 -3.110 3.699) 5.832 4.049 ( 1.011 -3.030 -5.397) 6.271 4.575 ( 0.593 -4.008 1.411) 4.290 4.630 ( 1.115 -3.149 -2.331) 4.074 5.084 ( -4.034 -2.141 10.245) 11.217 5.144 ( 4.502 -1.781 -8.672) 9.932 5.672 ( 0.174 -0.640 -0.005) 0.663 5.756 ( -1.397 -0.531 1.504) 2.120 5.790 ( 1.033 -1.204 -1.824) 2.417 5.817 ( 0.333 -1.263 0.447) 1.381 8.995 ( -0.185 0.115 0.166) 0.273 9.018 ( -0.267 0.297 -0.398) 0.564 9.637 ( 0.424 -0.203 0.173) 0.501 9.650 ( 0.213 0.198 -0.275) 0.400 10.101 ( -0.175 -0.829 0.976) 1.292 10.193 ( -0.457 0.541 -1.035) 1.254 10.309 ( 0.957 1.233 0.155) 1.568 10.339 ( 0.356 1.286 0.028) 1.334======================= Grid point 379 (165/189) =======================q-point: ( 0.54 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.587 ( 0.092 0.204 2.209) 2.220 0.659 ( 0.200 1.568 -1.721) 2.337 0.968 ( 4.643 0.890 0.419) 4.746 1.039 ( 2.226 -4.413 -1.299) 5.111 1.112 ( 0.169 -5.118 0.527) 5.148 1.248 ( -1.272 -0.983 -0.191) 1.619 1.478 ( 2.455 4.489 -3.196) 6.033 1.580 ( -3.920 3.900 3.802) 6.711 1.885 ( 2.684 -8.963 -5.115) 10.663 1.970 ( -4.499 -7.592 5.769) 10.544 2.207 ( 0.993 -2.200 1.617) 2.905 2.321 ( 0.201 -2.126 -2.573) 3.344 2.412 ( 0.541 -3.184 -0.056) 3.230 2.447 ( -0.033 -1.414 -0.674) 1.567 2.713 ( -1.399 1.314 2.855) 3.440 2.854 ( -3.564 0.047 -1.828) 4.006 3.484 ( 2.656 -0.000 -3.607) 4.480 3.519 ( -2.003 -0.460 3.884) 4.395 4.062 ( -5.257 -2.081 8.680) 10.359 4.091 ( 3.601 -2.435 -9.801) 10.722 4.653 ( 1.098 -3.168 0.305) 3.367 4.685 ( 0.426 -2.556 -0.721) 2.690 5.120 ( -4.620 -0.900 10.892) 11.865 5.155 ( 4.837 0.283 -9.903) 11.025 5.688 ( 0.382 -0.864 -0.014) 0.944 5.756 ( -1.715 -0.258 0.971) 1.988 5.820 ( 1.604 -1.374 -2.099) 2.978 5.843 ( -0.296 -1.082 1.225) 1.661 8.993 ( 0.144 0.068 0.093) 0.184 9.013 ( -0.267 0.062 -0.115) 0.298 9.639 ( 0.198 0.151 0.193) 0.316 9.649 ( 0.081 0.013 -0.233) 0.247 10.120 ( -0.050 -0.927 1.073) 1.419 10.176 ( -0.273 0.597 -1.176) 1.347 10.294 ( 0.905 1.021 -0.257) 1.389 10.318 ( -0.194 1.052 0.340) 1.123======================= Grid point 380 (166/189) =======================q-point: ( 0.62 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.597 ( -0.174 -0.541 1.998) 2.077 0.626 ( 0.571 1.413 -1.536) 2.164 0.975 ( 4.774 1.414 -0.396) 4.995 1.098 ( 0.800 -0.808 -0.926) 1.466 1.174 ( -1.802 -0.876 2.022) 2.847 1.231 ( -3.305 1.116 -0.758) 3.570 1.437 ( 3.148 0.423 -1.062) 3.349 1.520 ( -2.184 0.843 1.150) 2.608 2.032 ( 3.066 -5.911 -3.936) 7.735 2.077 ( -2.611 -3.973 3.562) 5.940 2.238 ( 1.224 0.473 2.407) 2.742 2.329 ( -0.280 0.371 -2.284) 2.331 2.454 ( -0.241 -0.866 0.816) 1.214 2.460 ( 0.407 -0.375 -1.065) 1.200 2.706 ( 1.011 -0.344 1.148) 1.568 2.837 ( -4.005 -1.226 -0.636) 4.236 3.484 ( 1.451 0.372 -1.051) 1.830 3.519 ( -1.098 0.227 1.031) 1.523 4.095 ( -4.038 -1.508 7.917) 9.015 4.119 ( 3.438 -1.409 -8.330) 9.121 4.698 ( -0.761 -0.676 3.041) 3.207 4.719 ( 1.622 -0.916 -3.018) 3.546 5.133 ( -1.470 0.170 3.496) 3.796 5.141 ( 1.586 0.430 -3.255) 3.646 5.707 ( 0.590 -0.736 0.269) 0.981 5.755 ( -1.438 -0.385 0.454) 1.556 5.839 ( 1.732 -0.247 -2.514) 3.062 5.856 ( -0.965 -0.138 1.832) 2.075 8.995 ( 0.345 -0.003 0.062) 0.351 9.010 ( -0.338 -0.021 0.024) 0.340 9.638 ( 0.330 0.187 -0.216) 0.436 9.647 ( -0.355 0.083 0.288) 0.465 10.141 ( 0.004 -0.925 0.800) 1.223 10.161 ( 0.116 0.483 -0.976) 1.095 10.281 ( 0.577 0.679 -0.225) 0.919 10.301 ( -0.542 0.633 0.230) 0.865======================= Grid point 381 (167/189) =======================q-point: (-0.31 0.15 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.606 ( 1.299 0.500 -0.857) 1.635 0.618 ( -0.742 -0.952 1.091) 1.627 0.971 ( 4.789 2.004 -0.851) 5.260 1.074 ( -0.825 2.578 -1.659) 3.175 1.131 ( -4.098 3.904 5.189) 7.678 1.168 ( -2.212 3.119 -2.395) 4.512 1.487 ( 1.686 -3.328 2.056) 4.260 1.536 ( 0.049 -3.078 -2.256) 3.817 2.079 ( -0.501 3.219 3.020) 4.442 2.089 ( 1.475 2.239 -2.748) 3.839 2.238 ( 5.150 0.112 -4.329) 6.728 2.310 ( -4.605 -0.109 4.350) 6.335 2.449 ( 0.537 1.283 -0.657) 1.538 2.457 ( -0.676 0.797 0.688) 1.251 2.748 ( 4.174 -2.354 -1.721) 5.091 2.846 ( -4.716 -2.438 1.391) 5.488 3.484 ( 0.198 0.142 1.209) 1.233 3.507 ( -0.196 0.440 -1.296) 1.383 4.116 ( -0.532 -0.426 2.351) 2.448 4.132 ( 0.745 -0.378 -2.340) 2.485 4.689 ( -1.647 2.029 4.830) 5.491 4.712 ( 1.748 1.504 -4.587) 5.134 5.123 ( 5.878 0.682 -9.941) 11.569 5.143 ( -5.715 -0.205 9.648) 11.216 5.722 ( 0.510 -0.191 1.187) 1.306 5.754 ( -0.879 -0.308 -0.625) 1.122 5.833 ( 1.739 1.041 -2.543) 3.252 5.847 ( -1.438 0.964 2.016) 2.657 8.999 ( 0.452 -0.153 0.032) 0.478 9.010 ( -0.408 -0.138 0.086) 0.439 9.636 ( 0.451 0.175 -0.443) 0.656 9.643 ( -0.644 0.148 0.581) 0.880 10.150 ( 0.816 0.324 -0.559) 1.041 10.161 ( -0.475 -0.649 0.332) 0.870 10.275 ( 0.288 0.166 0.194) 0.385 10.291 ( -0.625 0.030 -0.196) 0.656======================= Grid point 382 (168/189) =======================q-point: (-0.23 0.15 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.607 ( 1.604 0.530 0.525) 1.769 0.628 ( -1.241 -0.353 -0.603) 1.424 0.946 ( 4.045 3.657 -0.911) 5.529 0.992 ( -2.778 4.517 -0.980) 5.392 1.049 ( -1.007 3.872 4.772) 6.227 1.083 ( -2.363 3.191 -2.554) 4.721 1.576 ( -0.079 -4.162 4.629) 6.226 1.600 ( 0.992 -4.212 -4.726) 6.408 1.969 ( -1.462 8.266 5.372) 9.966 1.983 ( 2.069 7.904 -5.531) 9.866 2.265 ( 4.949 -0.232 -3.671) 6.166 2.299 ( -4.264 0.171 3.777) 5.699 2.413 ( 0.420 2.780 0.731) 2.905 2.424 ( -0.700 2.245 -0.548) 2.415 2.821 ( 5.476 -2.716 -2.506) 6.606 2.872 ( -5.109 -2.705 2.345) 6.238 3.487 ( -1.345 0.136 3.689) 3.929 3.495 ( 1.298 0.362 -3.738) 3.974 4.116 ( 2.658 1.032 -3.444) 4.471 4.124 ( -2.265 1.047 3.529) 4.322 4.642 ( -0.648 3.456 3.717) 5.116 4.659 ( 0.441 3.222 -3.504) 4.781 5.115 ( 6.514 0.996 -9.832) 11.836 5.133 ( -6.413 0.729 9.515) 11.497 5.728 ( 0.526 0.446 1.920) 2.040 5.747 ( -0.695 0.237 -1.661) 1.816 5.810 ( 1.815 1.579 -2.106) 3.197 5.820 ( -1.676 1.441 1.861) 2.889 9.007 ( 0.498 -0.397 0.022) 0.637 9.012 ( -0.429 -0.407 0.070) 0.596 9.633 ( 0.547 0.224 -0.499) 0.773 9.638 ( -0.728 0.190 0.601) 0.963 10.150 ( 1.247 0.277 0.046) 1.278 10.165 ( -1.071 -0.224 -0.193) 1.111 10.282 ( 0.444 -0.519 0.322) 0.755 10.291 ( -0.684 -0.565 -0.328) 0.946======================= Grid point 383 (169/189) =======================q-point: (-0.15 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 176Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.601 ( -1.631 1.825 -2.402) 3.430 0.601 ( 1.631 1.825 2.402) 3.430 0.872 ( 1.148 5.992 -4.777) 7.749 0.872 ( -1.148 5.992 4.777) 7.749 1.018 ( -1.347 1.317 -2.797) 3.372 1.018 ( 1.347 1.317 2.797) 3.372 1.656 ( 2.354 -1.586 -8.312) 8.784 1.656 ( -2.354 -1.586 8.312) 8.784 1.820 ( 3.886 7.012 -9.092) 12.121 1.820 ( -3.886 7.012 9.092) 12.121 2.271 ( 1.918 1.331 -3.845) 4.498 2.271 ( -1.918 1.331 3.845) 4.498 2.363 ( -1.300 3.227 -0.898) 3.593 2.363 ( 1.300 3.227 0.898) 3.593 2.893 ( 5.269 -2.117 -10.019) 11.516 2.893 ( -5.269 -2.117 10.019) 11.516 3.484 ( 2.577 0.587 -5.629) 6.219 3.484 ( -2.577 0.587 5.629) 6.219 4.085 ( 4.628 2.831 -8.455) 10.045 4.085 ( -4.628 2.831 8.455) 10.045 4.585 ( 1.106 3.398 -3.220) 4.810 4.585 ( -1.106 3.398 3.220) 4.810 5.093 ( 6.410 2.539 -9.123) 11.435 5.093 ( -6.410 2.539 9.123) 11.435 5.726 ( -0.709 0.838 -2.252) 2.505 5.726 ( 0.709 0.838 2.252) 2.505 5.790 ( 2.281 1.059 -3.521) 4.327 5.790 ( -2.281 1.059 3.521) 4.327 9.020 ( 0.184 -0.649 -0.621) 0.917 9.020 ( -0.184 -0.649 0.621) 0.917 9.631 ( 0.075 0.312 -0.095) 0.334 9.631 ( -0.075 0.312 0.095) 0.334 10.156 ( -1.253 0.065 -0.950) 1.574 10.156 ( 1.253 0.065 0.950) 1.574 10.301 ( 0.293 -1.038 -0.918) 1.416 10.301 ( -0.293 -1.038 0.918) 1.416======================= Grid point 389 (170/189) =======================q-point: ( 0.23 0.23 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.380 ( 5.271 -0.000 -3.554) 6.358 0.432 ( 4.088 -0.000 -8.076) 9.051 0.683 ( -1.273 0.000 4.979) 5.139 0.815 ( 4.164 -0.000 -0.805) 4.241 0.926 ( 2.901 -0.000 6.017) 6.680 0.958 ( 7.850 -0.000 -4.513) 9.054 1.180 ( 2.847 -0.000 -3.831) 4.773 1.256 ( -1.628 0.000 3.443) 3.809 1.740 ( 4.435 -0.000 -13.610) 14.314 1.867 ( -8.225 0.000 12.383) 14.866 2.098 ( -3.106 0.000 -1.893) 3.637 2.112 ( -3.218 0.000 -1.803) 3.688 2.228 ( -5.950 0.000 3.783) 7.051 2.366 ( -1.864 0.000 -1.884) 2.650 2.848 ( -1.009 0.000 -7.523) 7.591 2.893 ( -8.241 0.000 9.736) 12.755 3.334 ( -8.188 0.000 11.649) 14.239 3.361 ( 5.366 -0.000 -12.216) 13.343 3.723 ( 0.563 -0.000 -3.138) 3.188 3.876 ( -0.766 0.000 1.674) 1.841 4.404 ( 2.801 -0.000 -3.207) 4.258 4.446 ( -1.190 0.000 4.006) 4.179 4.878 ( 3.800 -0.000 -5.451) 6.645 4.900 ( -1.221 0.000 4.553) 4.714 5.633 ( 0.711 -0.000 -1.432) 1.599 5.736 ( -2.272 0.000 2.048) 3.059 5.788 ( -0.566 0.000 3.610) 3.654 5.799 ( 2.183 -0.000 -3.908) 4.476 9.022 ( -1.859 0.000 1.872) 2.638 9.049 ( 0.981 -0.000 -2.095) 2.314 9.604 ( 1.357 -0.000 -1.269) 1.858 9.658 ( 0.003 -0.000 1.308) 1.308 10.065 ( -1.452 0.000 0.308) 1.484 10.235 ( 0.114 -0.000 -2.160) 2.163 10.363 ( 0.471 -0.000 1.398) 1.475 10.420 ( -0.483 0.000 0.029) 0.483======================= Grid point 390 (171/189) =======================q-point: ( 0.31 0.23 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.440 ( 4.460 -3.435 -0.976) 5.714 0.469 ( 4.799 -3.696 -6.768) 9.083 0.708 ( -1.650 -1.732 5.504) 6.001 0.799 ( 3.410 1.177 -4.211) 5.545 0.969 ( 3.215 -0.338 4.468) 5.515 1.061 ( 5.745 -4.185 -0.224) 7.112 1.236 ( 5.822 -5.266 -9.022) 11.959 1.291 ( -3.829 -4.195 7.385) 9.316 1.737 ( 4.967 -0.946 -12.826) 13.787 1.862 ( -9.301 -0.494 12.225) 15.369 2.046 ( -3.381 0.702 -3.054) 4.610 2.134 ( -5.621 -3.162 0.989) 6.525 2.189 ( -2.064 1.302 1.875) 3.077 2.333 ( -1.370 1.308 -1.845) 2.644 2.802 ( -0.899 1.391 -4.072) 4.396 2.887 ( -6.869 -1.020 5.575) 8.905 3.332 ( -4.945 -1.172 7.073) 8.709 3.383 ( 2.458 -2.577 -7.294) 8.117 3.757 ( 0.853 -3.818 -2.367) 4.572 3.898 ( -1.230 -2.308 1.304) 2.922 4.420 ( 1.211 -0.956 -0.467) 1.612 4.472 ( -0.207 -2.049 0.851) 2.229 4.915 ( 3.277 -2.923 -4.387) 6.207 4.924 ( -1.156 -2.075 4.051) 4.696 5.639 ( 1.122 -0.375 -0.992) 1.544 5.729 ( -2.115 -0.052 2.035) 2.935 5.791 ( -0.560 0.329 2.886) 2.958 5.796 ( 1.867 0.306 -3.722) 4.175 9.011 ( -1.379 0.423 1.353) 1.978 9.047 ( 0.219 0.115 -1.874) 1.890 9.611 ( 1.506 -0.226 -1.173) 1.923 9.661 ( -0.204 0.097 1.262) 1.282 10.063 ( -0.704 -0.360 0.803) 1.127 10.223 ( -0.536 0.316 -1.815) 1.918 10.365 ( 0.851 0.643 1.161) 1.577 10.409 ( 0.169 0.869 -0.453) 0.994======================= Grid point 391 (172/189) =======================q-point: ( 0.38 0.23 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.531 ( 3.113 -3.237 0.752) 4.554 0.573 ( 3.705 -5.726 -4.128) 7.973 0.756 ( -0.059 -2.335 3.265) 4.014 0.811 ( 1.163 -2.374 -2.941) 3.955 0.999 ( 3.963 0.534 1.923) 4.437 1.144 ( 3.514 -1.865 1.072) 4.120 1.362 ( 5.338 -7.358 -9.262) 12.978 1.426 ( -4.372 -9.254 8.198) 13.113 1.732 ( 5.011 1.425 -10.578) 11.791 1.842 ( -8.382 0.557 9.863) 12.956 2.016 ( -3.226 -0.940 -2.090) 3.957 2.157 ( -6.227 -3.477 1.432) 7.275 2.199 ( 0.330 -1.946 0.746) 2.110 2.311 ( -0.422 -0.561 -1.074) 1.283 2.770 ( 0.149 0.689 -2.562) 2.658 2.878 ( -6.016 -0.752 3.368) 6.935 3.365 ( -2.304 -2.736 3.906) 5.296 3.429 ( 0.648 -3.022 -3.490) 4.662 3.844 ( 0.980 -5.262 -2.583) 5.943 3.944 ( -1.940 -2.914 1.264) 3.722 4.453 ( -0.439 -2.056 2.636) 3.372 4.517 ( 1.180 -2.721 -3.182) 4.350 4.972 ( -1.918 -3.080 5.880) 6.909 5.004 ( 3.212 -4.825 -5.038) 7.680 5.653 ( 1.241 -0.535 -0.441) 1.422 5.728 ( -1.586 -0.471 1.973) 2.575 5.786 ( 0.579 0.486 -1.652) 1.817 5.792 ( 0.267 0.054 0.239) 0.362 9.001 ( -0.862 0.283 0.901) 1.279 9.035 ( -0.237 0.465 -1.501) 1.589 9.623 ( 1.366 -0.386 -0.874) 1.667 9.660 ( -0.304 0.203 0.963) 1.030 10.074 ( -0.083 -0.625 1.207) 1.362 10.208 ( -0.839 0.301 -1.542) 1.781 10.357 ( 0.868 1.148 1.001) 1.753 10.390 ( 0.694 1.248 -0.717) 1.597======================= Grid point 392 (173/189) =======================q-point: ( 0.46 0.23 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.590 ( 1.445 -0.996 1.875) 2.568 0.662 ( 0.910 -2.505 -2.288) 3.513 0.828 ( 3.507 -4.796 -2.966) 6.640 0.885 ( -1.365 -5.428 2.260) 6.036 1.016 ( 4.989 0.973 0.785) 5.144 1.194 ( 1.686 -1.564 0.327) 2.323 1.518 ( 4.080 -8.842 -7.071) 12.034 1.592 ( -4.462 -7.400 7.161) 11.223 1.679 ( 2.530 2.868 -5.241) 6.488 1.786 ( -5.654 2.956 5.023) 8.120 2.055 ( -0.474 -4.818 -1.440) 5.051 2.195 ( -4.623 -3.809 0.587) 6.019 2.261 ( 1.078 -3.902 0.174) 4.052 2.343 ( -1.017 -3.059 0.033) 3.224 2.755 ( 0.329 0.650 -0.907) 1.164 2.861 ( -5.007 -0.166 1.341) 5.186 3.423 ( 0.337 -3.069 0.523) 3.132 3.474 ( -0.749 -2.246 0.299) 2.386 3.937 ( 0.669 -4.861 -2.816) 5.657 3.986 ( -2.288 -2.631 1.070) 3.647 4.512 ( -0.462 -3.466 3.346) 4.840 4.568 ( 1.558 -3.153 -4.189) 5.469 5.042 ( -2.872 -3.240 8.231) 9.301 5.090 ( 3.556 -3.899 -6.939) 8.718 5.668 ( 0.923 -0.319 0.224) 1.002 5.739 ( -1.298 -0.875 1.569) 2.217 5.777 ( 0.772 -0.067 -1.948) 2.096 5.799 ( 0.002 -0.731 0.279) 0.783 8.996 ( -0.396 0.102 0.580) 0.710 9.021 ( -0.323 0.384 -0.950) 1.075 9.635 ( 0.941 -0.332 -0.439) 1.090 9.656 ( -0.234 0.296 0.450) 0.587 10.091 ( 0.273 -0.680 1.436) 1.612 10.192 ( -0.935 0.280 -1.553) 1.835 10.341 ( 0.906 1.369 0.630) 1.758 10.367 ( 0.542 1.404 -0.459) 1.574======================= Grid point 393 (174/189) =======================q-point: ( 0.54 0.23 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.605 ( 0.447 0.439 2.500) 2.577 0.671 ( -0.136 0.374 -2.510) 2.542 0.949 ( 3.631 -6.013 -2.824) 7.571 0.991 ( -1.157 -4.748 2.954) 5.711 1.037 ( 5.501 -0.373 -0.154) 5.516 1.220 ( -1.496 -0.948 -0.010) 1.772 1.574 ( 3.500 4.724 -4.645) 7.493 1.641 ( -3.901 2.466 4.000) 6.107 1.714 ( 2.734 -8.398 -3.745) 9.593 1.805 ( -5.396 -7.891 5.461) 11.009 2.151 ( 2.039 -4.744 -1.154) 5.291 2.250 ( -2.821 -4.122 0.419) 5.012 2.346 ( 1.325 -4.148 -0.615) 4.397 2.397 ( -1.288 -3.189 0.146) 3.443 2.739 ( -0.196 1.172 1.319) 1.775 2.831 ( -3.924 0.430 -0.878) 4.044 3.475 ( 2.819 -1.664 -3.544) 4.825 3.504 ( -2.391 -1.200 4.212) 4.990 4.009 ( -2.580 -3.280 3.329) 5.338 4.027 ( 0.889 -2.981 -4.837) 5.751 4.592 ( 0.159 -4.004 2.327) 4.634 4.627 ( 1.123 -3.407 -2.878) 4.599 5.102 ( -3.789 -2.014 9.933) 10.821 5.141 ( 4.156 -1.696 -8.920) 9.986 5.680 ( 0.777 -0.405 0.510) 1.014 5.742 ( -1.797 -0.242 0.409) 1.858 5.796 ( 1.467 -1.484 -1.325) 2.472 5.820 ( -0.309 -1.347 0.539) 1.483 8.995 ( 0.018 0.016 0.322) 0.323 9.012 ( -0.319 0.128 -0.436) 0.555 9.643 ( 0.349 -0.071 0.124) 0.378 9.650 ( 0.026 0.215 -0.147) 0.262 10.111 ( 0.402 -0.657 1.498) 1.685 10.176 ( -0.829 0.275 -1.619) 1.840 10.322 ( 0.939 1.378 0.113) 1.671 10.342 ( 0.018 1.394 0.014) 1.394======================= Grid point 394 (175/189) =======================q-point: ( 0.62 0.23 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.605 ( 0.142 0.479 2.755) 2.800 0.645 ( -0.086 1.138 -2.556) 2.799 1.030 ( 4.247 0.802 0.520) 4.353 1.058 ( 2.248 -3.912 -1.732) 4.833 1.118 ( 0.385 -4.299 1.353) 4.523 1.212 ( -4.042 -0.257 -0.258) 4.058 1.497 ( 3.807 3.973 -3.267) 6.399 1.554 ( -4.121 3.776 3.547) 6.619 1.896 ( 4.268 -8.959 -5.081) 11.149 1.948 ( -4.915 -8.085 5.469) 10.929 2.236 ( 1.910 -2.603 1.597) 3.602 2.301 ( -0.962 -2.465 -2.135) 3.400 2.420 ( 0.609 -2.898 0.170) 2.966 2.439 ( -0.417 -1.852 -0.637) 2.002 2.722 ( 0.066 0.960 2.678) 2.845 2.797 ( -3.354 0.073 -2.044) 3.929 3.495 ( 2.876 -0.015 -3.494) 4.525 3.516 ( -2.412 -0.265 3.712) 4.435 4.057 ( -5.089 -2.425 9.517) 11.061 4.073 ( 4.088 -2.691 -10.271) 11.378 4.668 ( 0.144 -2.981 1.758) 3.463 4.684 ( 0.809 -2.703 -1.940) 3.424 5.133 ( -4.656 -0.549 10.659) 11.644 5.150 ( 4.814 0.163 -10.141) 11.226 5.698 ( 1.000 -0.751 0.313) 1.289 5.737 ( -1.827 -0.420 0.177) 1.882 5.828 ( 1.657 -1.230 -1.620) 2.623 5.844 ( -0.851 -1.090 1.196) 1.828 8.997 ( 0.301 0.001 0.155) 0.339 9.008 ( -0.361 -0.004 -0.134) 0.385 9.643 ( 0.220 0.200 0.056) 0.303 9.648 ( -0.105 0.078 -0.046) 0.139 10.130 ( 0.354 -0.673 1.377) 1.573 10.162 ( -0.495 0.168 -1.504) 1.593 10.303 ( 0.872 1.205 -0.285) 1.514 10.316 ( -0.488 1.202 0.340) 1.341======================= Grid point 395 (176/189) =======================q-point: ( 0.69 0.23 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.609 ( -0.162 -0.003 2.176) 2.182 0.620 ( 0.302 0.689 -1.999) 2.136 1.036 ( 5.154 1.621 -0.184) 5.406 1.087 ( -2.156 0.546 -0.903) 2.400 1.169 ( -1.647 -0.066 3.958) 4.288 1.189 ( -1.199 0.549 -2.868) 3.157 1.469 ( 2.958 0.165 -0.912) 3.100 1.497 ( -2.539 0.357 0.943) 2.732 2.048 ( 3.461 -5.672 -3.877) 7.693 2.065 ( -3.155 -4.905 3.726) 6.921 2.272 ( 1.768 0.604 2.105) 2.815 2.305 ( -1.342 0.533 -2.029) 2.491 2.456 ( -0.265 -0.677 0.862) 1.127 2.458 ( 0.319 -0.504 -0.963) 1.133 2.735 ( 2.660 -1.017 0.910) 2.989 2.782 ( -3.957 -1.398 -0.726) 4.259 3.496 ( 1.592 0.432 -0.929) 1.893 3.509 ( -1.443 0.390 0.922) 1.757 4.099 ( -4.166 -1.751 8.975) 10.048 4.108 ( 3.930 -1.719 -9.144) 10.100 4.708 ( -1.345 -0.609 4.111) 4.368 4.717 ( 1.700 -0.761 -4.085) 4.490 5.137 ( 0.907 0.451 -1.239) 1.600 5.140 ( -0.845 0.295 1.315) 1.590 5.720 ( 1.080 -0.719 0.371) 1.349 5.737 ( -1.442 -0.593 -0.109) 1.563 5.846 ( 1.751 -0.100 -2.084) 2.724 5.853 ( -1.427 -0.080 1.842) 2.331 9.000 ( 0.448 -0.029 0.047) 0.451 9.006 ( -0.442 -0.035 -0.003) 0.443 9.641 ( 0.452 0.196 -0.327) 0.592 9.644 ( -0.477 0.152 0.366) 0.620 10.148 ( 0.105 -0.564 0.957) 1.116 10.155 ( -0.035 -0.044 -1.046) 1.047 10.288 ( 0.687 0.804 -0.243) 1.085 10.295 ( -0.693 0.775 0.246) 1.068======================= Grid point 396 (177/189) =======================q-point: (-0.23 0.23 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 176Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.614 ( 0.988 -0.251 -1.026) 1.446 0.614 ( -0.988 -0.251 1.026) 1.446 1.030 ( -2.281 2.491 -1.449) 3.675 1.030 ( 2.281 2.491 1.449) 3.675 1.135 ( 0.555 3.662 -4.284) 5.663 1.135 ( -0.555 3.662 4.284) 5.663 1.517 ( 0.656 -3.272 -3.876) 5.115 1.517 ( -0.656 -3.272 3.876) 5.115 2.088 ( 1.723 2.714 -3.783) 4.964 2.088 ( -1.723 2.714 3.783) 4.964 2.276 ( 5.415 -0.071 -4.510) 7.048 2.276 ( -5.415 -0.071 4.510) 7.048 2.453 ( 0.635 1.070 -0.629) 1.394 2.453 ( -0.635 1.070 0.629) 1.394 2.795 ( 4.077 -2.645 -7.883) 9.261 2.795 ( -4.077 -2.645 7.883) 9.261 3.496 ( 0.852 0.332 -2.691) 2.842 3.496 ( -0.852 0.332 2.691) 2.842 4.125 ( 5.432 -0.532 -10.744) 12.051 4.125 ( -5.432 -0.532 10.744) 12.051 4.701 ( 1.960 1.852 -5.546) 6.167 4.701 ( -1.960 1.852 5.546) 6.167 5.133 ( 6.204 0.261 -10.174) 11.919 5.133 ( -6.204 0.261 10.174) 11.919 5.738 ( -0.419 -0.295 -1.431) 1.520 5.738 ( 0.419 -0.295 1.431) 1.520 5.840 ( 2.134 1.046 -3.347) 4.105 5.840 ( -2.134 1.046 3.347) 4.105 9.004 ( -0.346 -0.158 -0.050) 0.383 9.004 ( 0.346 -0.158 0.050) 0.383 9.639 ( 0.643 0.181 -0.928) 1.143 9.639 ( -0.643 0.181 0.928) 1.143 10.156 ( 0.563 -0.174 -0.500) 0.773 10.156 ( -0.563 -0.174 0.500) 0.773 10.282 ( 0.425 0.137 -1.250) 1.328 10.282 ( -0.425 0.137 1.250) 1.328======================= Grid point 404 (178/189) =======================q-point: ( 0.31 0.31 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.431 ( 4.497 -0.000 0.545) 4.530 0.445 ( 5.659 -0.000 -6.594) 8.689 0.690 ( -1.845 0.000 3.284) 3.766 0.817 ( -0.811 0.000 -2.226) 2.369 1.023 ( 5.073 -0.000 5.849) 7.743 1.030 ( 8.477 -0.000 -4.812) 9.748 1.197 ( 2.409 -0.000 -1.287) 2.731 1.255 ( -1.418 0.000 2.267) 2.674 1.713 ( 4.917 -0.000 -12.620) 13.544 1.837 ( -9.363 0.000 11.942) 15.175 2.042 ( -4.611 0.000 -0.519) 4.640 2.052 ( -4.074 0.000 -2.394) 4.726 2.198 ( -2.389 0.000 2.775) 3.662 2.327 ( -2.036 0.000 -2.452) 3.187 2.796 ( 0.090 -0.000 -6.569) 6.570 2.855 ( -7.191 0.000 7.844) 10.641 3.314 ( -7.565 0.000 12.105) 14.274 3.347 ( 5.385 -0.000 -12.561) 13.667 3.722 ( 1.606 -0.000 -1.222) 2.018 3.870 ( -1.370 0.000 0.715) 1.546 4.419 ( 2.851 -0.000 -3.105) 4.215 4.454 ( -1.621 0.000 3.913) 4.236 4.889 ( 3.514 -0.000 -5.039) 6.143 4.911 ( -1.584 0.000 3.966) 4.271 5.641 ( 1.514 -0.000 -0.712) 1.673 5.721 ( -2.057 0.000 1.795) 2.730 5.799 ( 1.844 -0.000 -3.693) 4.128 5.800 ( -0.926 0.000 2.868) 3.014 9.011 ( -1.684 0.000 1.870) 2.516 9.043 ( 0.408 -0.000 -2.454) 2.488 9.615 ( 1.794 -0.000 -1.397) 2.274 9.663 ( -0.618 0.000 1.489) 1.612 10.060 ( -0.220 0.000 1.494) 1.510 10.214 ( -1.074 0.000 -2.237) 2.481 10.381 ( 1.135 -0.000 0.915) 1.458 10.417 ( 0.116 -0.000 -0.429) 0.444======================= Grid point 405 (179/189) =======================q-point: ( 0.38 0.31 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.491 ( 3.720 -3.161 0.726) 4.935 0.496 ( 5.158 -3.316 -3.918) 7.277 0.714 ( -2.354 -2.471 4.144) 5.368 0.790 ( 0.598 0.567 -5.030) 5.098 1.047 ( 4.078 0.677 4.487) 6.101 1.127 ( 5.005 -3.124 -0.766) 5.949 1.251 ( 5.459 -4.765 -7.955) 10.761 1.290 ( -3.829 -4.350 6.851) 8.973 1.722 ( 5.592 -1.567 -11.746) 13.103 1.820 ( -9.484 -0.246 11.060) 14.572 1.990 ( -2.539 0.615 -2.532) 3.639 2.061 ( -6.922 -2.675 1.474) 7.566 2.190 ( -0.015 0.214 1.751) 1.764 2.302 ( -1.397 0.376 -2.351) 2.760 2.773 ( 1.112 0.467 -5.031) 5.173 2.841 ( -6.529 -0.518 5.855) 8.785 3.322 ( -4.800 -1.542 8.452) 9.841 3.365 ( 3.062 -2.493 -8.618) 9.479 3.764 ( 1.810 -3.332 -0.744) 3.864 3.885 ( -1.802 -2.212 0.391) 2.880 4.433 ( 1.184 -0.799 -0.132) 1.435 4.472 ( -0.418 -1.627 0.451) 1.739 4.925 ( 2.854 -2.901 -4.167) 5.824 4.932 ( -1.483 -2.273 3.693) 4.583 5.652 ( 1.706 -0.353 -0.389) 1.785 5.717 ( -1.755 -0.247 1.670) 2.435 5.794 ( 1.486 0.435 -3.227) 3.579 5.798 ( -0.925 0.336 2.144) 2.359 9.004 ( -1.201 0.291 1.580) 2.006 9.035 ( 0.008 0.217 -2.226) 2.236 9.624 ( 1.792 -0.179 -1.302) 2.222 9.663 ( -0.814 0.072 1.422) 1.640 10.070 ( 0.290 -0.364 1.959) 2.013 10.198 ( -1.289 0.083 -2.254) 2.598 10.384 ( 0.995 0.724 0.891) 1.519 10.410 ( 0.469 0.691 -0.681) 1.078======================= Grid point 406 (180/189) =======================q-point: ( 0.46 0.31 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.571 ( 1.625 -2.633 2.501) 3.978 0.595 ( 3.516 -4.637 -3.487) 6.784 0.768 ( -1.052 -2.835 2.667) 4.032 0.795 ( 0.448 -3.089 -4.081) 5.138 1.070 ( 4.611 0.923 2.667) 5.406 1.181 ( 1.368 -1.069 0.548) 1.820 1.371 ( 5.068 -7.158 -7.861) 11.777 1.421 ( -4.356 -8.885 6.817) 12.016 1.733 ( 5.653 1.416 -9.634) 11.259 1.803 ( -7.647 0.211 8.861) 11.707 1.977 ( -0.913 -1.907 -1.677) 2.698 2.084 ( -6.755 -4.062 1.260) 7.982 2.215 ( 1.022 -1.976 1.410) 2.634 2.294 ( -0.964 -1.225 -1.579) 2.219 2.763 ( 1.968 0.239 -3.606) 4.115 2.830 ( -5.649 -0.505 4.094) 6.994 3.367 ( -1.737 -3.078 4.418) 5.658 3.413 ( 0.739 -3.355 -4.106) 5.353 3.848 ( 1.770 -4.464 -1.385) 4.997 3.923 ( -2.311 -2.866 0.581) 3.727 4.466 ( -0.377 -2.127 3.012) 3.707 4.508 ( 0.921 -2.545 -3.355) 4.311 4.986 ( -1.820 -3.424 5.331) 6.592 5.007 ( 2.571 -4.569 -4.900) 7.176 5.670 ( 1.616 -0.398 0.025) 1.664 5.721 ( -1.441 -0.680 1.455) 2.158 5.782 ( 0.992 0.562 -2.278) 2.547 5.793 ( -0.670 0.094 0.928) 1.148 8.998 ( -0.617 0.201 1.168) 1.336 9.022 ( -0.223 0.345 -1.636) 1.687 9.635 ( 1.464 -0.248 -0.982) 1.781 9.660 ( -0.799 0.180 1.071) 1.348 10.088 ( 0.674 -0.534 2.105) 2.274 10.182 ( -1.322 0.051 -2.181) 2.550 10.374 ( 0.792 1.222 0.839) 1.681 10.393 ( 0.526 1.170 -0.746) 1.484======================= Grid point 407 (181/189) =======================q-point: ( 0.54 0.31 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.616 ( 0.563 -0.626 2.647) 2.778 0.654 ( 0.428 -1.357 -2.749) 3.095 0.848 ( 3.314 -5.557 -3.680) 7.443 0.878 ( -2.285 -5.862 2.653) 6.828 1.090 ( 5.402 0.940 1.260) 5.626 1.196 ( -1.642 -0.537 0.083) 1.729 1.530 ( 5.159 -8.770 -6.624) 12.141 1.579 ( -5.083 -8.041 6.816) 11.703 1.686 ( 4.162 3.409 -5.437) 7.649 1.747 ( -5.924 3.105 5.182) 8.461 2.056 ( 2.258 -5.820 -1.679) 6.465 2.139 ( -5.130 -5.229 1.020) 7.396 2.280 ( 1.388 -3.585 0.636) 3.897 2.326 ( -1.422 -3.125 -0.545) 3.476 2.760 ( 1.807 0.550 -1.566) 2.453 2.813 ( -4.328 0.119 1.811) 4.693 3.435 ( 0.885 -3.182 0.529) 3.344 3.464 ( -1.015 -2.739 0.032) 2.922 3.934 ( 1.435 -4.125 -2.132) 4.860 3.964 ( -2.341 -2.797 1.050) 3.796 4.528 ( -0.638 -3.542 3.801) 5.235 4.558 ( 1.267 -3.350 -4.224) 5.538 5.059 ( -2.735 -3.386 7.761) 8.898 5.085 ( 3.089 -3.717 -7.116) 8.602 5.685 ( 1.360 -0.109 0.543) 1.469 5.727 ( -1.648 -0.428 0.412) 1.752 5.780 ( 1.208 -0.534 -1.190) 1.778 5.797 ( -0.638 -0.798 0.336) 1.076 8.997 ( -0.151 0.047 0.785) 0.801 9.011 ( -0.257 0.193 -0.982) 1.034 9.643 ( 0.882 -0.143 -0.518) 1.032 9.654 ( -0.529 0.225 0.544) 0.791 10.110 ( 0.855 -0.485 2.032) 2.257 10.166 ( -1.223 0.029 -2.093) 2.425 10.355 ( 0.705 1.443 0.542) 1.695 10.369 ( 0.161 1.434 -0.466) 1.517======================= Grid point 408 (182/189) =======================q-point: ( 0.62 0.31 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.627 ( 0.289 0.511 2.976) 3.034 0.650 ( -0.260 0.441 -3.027) 3.070 0.971 ( 3.056 -5.988 -2.967) 7.348 0.986 ( -2.363 -5.822 2.738) 6.853 1.113 ( 5.959 0.473 0.480) 5.997 1.181 ( -4.473 0.014 -0.189) 4.477 1.593 ( 4.295 4.340 -4.613) 7.652 1.617 ( -4.339 3.646 4.484) 7.227 1.735 ( 4.941 -8.863 -4.680) 11.175 1.770 ( -5.739 -8.539 5.218) 11.536 2.177 ( 3.347 -5.215 -1.221) 6.316 2.214 ( -3.580 -4.969 0.917) 6.193 2.361 ( 1.537 -3.830 -0.221) 4.133 2.380 ( -1.583 -3.491 0.044) 3.834 2.753 ( 1.250 1.065 1.025) 1.936 2.784 ( -2.775 0.785 -0.865) 3.010 3.488 ( 2.999 -1.578 -3.737) 5.045 3.499 ( -2.801 -1.410 4.030) 5.107 4.004 ( -1.712 -3.245 3.281) 4.922 4.010 ( 1.082 -3.065 -3.892) 5.071 4.608 ( -0.420 -3.896 2.947) 4.903 4.620 ( 0.894 -3.686 -3.126) 4.915 5.118 ( -3.773 -1.874 9.544) 10.433 5.132 ( 3.908 -1.746 -9.201) 10.148 5.697 ( 1.363 -0.234 0.652) 1.529 5.720 ( -1.729 -0.173 -0.377) 1.778 5.807 ( 1.311 -1.512 -0.780) 2.148 5.816 ( -0.885 -1.444 0.563) 1.785 8.999 ( 0.186 -0.025 0.424) 0.464 9.005 ( -0.292 0.012 -0.455) 0.541 9.647 ( 0.223 0.060 0.068) 0.240 9.649 ( -0.103 0.164 -0.067) 0.204 10.129 ( 0.817 -0.382 1.854) 2.062 10.153 ( -0.964 -0.054 -1.914) 2.144 10.333 ( 0.700 1.464 0.063) 1.624 10.340 ( -0.351 1.466 -0.017) 1.507======================= Grid point 409 (183/189) =======================q-point: ( 0.69 0.31 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 176Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.626 ( -0.141 0.762 -2.954) 3.054 0.626 ( 0.141 0.762 2.954) 3.054 1.063 ( 0.301 -2.270 -2.157) 3.146 1.063 ( -0.301 -2.270 2.157) 3.146 1.154 ( -3.587 -1.221 -1.278) 3.999 1.154 ( 3.587 -1.221 1.278) 3.999 1.525 ( 3.880 3.764 -3.808) 6.612 1.525 ( -3.880 3.764 3.808) 6.612 1.921 ( 4.982 -8.615 -5.230) 11.243 1.921 ( -4.982 -8.615 5.230) 11.243 2.271 ( 2.089 -2.673 -6.272) 7.130 2.271 ( -2.089 -2.673 6.272) 7.130 2.429 ( -0.407 -2.418 -0.600) 2.525 2.429 ( 0.407 -2.418 0.600) 2.525 2.750 ( 3.195 0.492 -8.466) 9.062 2.750 ( -3.195 0.492 8.466) 9.062 3.508 ( 2.791 -0.098 -3.636) 4.585 3.508 ( -2.791 -0.098 3.636) 4.585 4.061 ( 5.001 -2.673 -10.705) 12.114 4.061 ( -5.001 -2.673 10.705) 12.114 4.679 ( 2.507 -2.840 -5.376) 6.576 4.679 ( -2.507 -2.840 5.376) 6.576 5.143 ( 4.764 -0.154 -10.391) 11.432 5.143 ( -4.764 -0.154 10.391) 11.432 5.716 ( -1.544 -0.589 -0.278) 1.675 5.716 ( 1.544 -0.589 0.278) 1.675 5.838 ( 1.556 -1.137 -2.393) 3.072 5.838 ( -1.556 -1.137 2.393) 3.072 9.002 ( -0.353 -0.026 -0.178) 0.396 9.002 ( 0.353 -0.026 0.178) 0.396 9.646 ( 0.262 0.160 -0.547) 0.627 9.646 ( -0.262 0.160 0.547) 0.627 10.145 ( -0.525 -0.287 -1.580) 1.689 10.145 ( 0.525 -0.287 1.580) 1.689 10.311 ( 0.642 1.267 -1.132) 1.816 10.311 ( -0.642 1.267 1.132) 1.816======================= Grid point 419 (184/189) =======================q-point: ( 0.38 0.38 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.481 ( 6.176 -0.000 -5.114) 8.018 0.493 ( 2.933 -0.000 3.613) 4.654 0.684 ( -1.924 0.000 2.489) 3.146 0.780 ( -2.201 0.000 -3.101) 3.803 1.097 ( 7.751 -0.000 -5.763) 9.659 1.108 ( 2.318 -0.000 5.666) 6.122 1.219 ( 1.272 -0.000 1.049) 1.648 1.252 ( -0.655 0.000 0.643) 0.918 1.700 ( 5.892 -0.000 -11.857) 13.240 1.791 ( -10.240 0.000 11.539) 15.427 1.986 ( -4.456 0.000 1.168) 4.606 1.991 ( -2.476 0.000 -3.178) 4.029 2.200 ( -0.369 0.000 2.777) 2.801 2.287 ( -1.525 0.000 -2.869) 3.249 2.768 ( 1.686 -0.000 -5.488) 5.741 2.818 ( -6.080 0.000 5.966) 8.519 3.305 ( -6.819 0.000 12.559) 14.291 3.332 ( 5.477 -0.000 -12.809) 13.931 3.744 ( 2.369 -0.000 0.360) 2.396 3.851 ( -1.975 0.000 -0.240) 1.990 4.433 ( 2.695 -0.000 -3.056) 4.075 4.457 ( -1.957 0.000 3.646) 4.138 4.899 ( 3.072 -0.000 -4.595) 5.527 4.913 ( -2.008 0.000 3.708) 4.217 5.659 ( 1.863 -0.000 -0.312) 1.889 5.708 ( -1.692 0.000 1.386) 2.187 5.797 ( 1.670 -0.000 -3.374) 3.765 5.803 ( -1.372 0.000 2.501) 2.852 9.006 ( -1.262 0.000 1.990) 2.356 9.029 ( 0.170 -0.000 -2.607) 2.612 9.630 ( 1.989 -0.000 -1.529) 2.509 9.662 ( -1.197 0.000 1.635) 2.026 10.077 ( 0.664 -0.000 2.547) 2.632 10.182 ( -1.497 0.000 -2.673) 3.063 10.400 ( 0.867 -0.000 0.781) 1.167 10.417 ( 0.423 -0.000 -0.667) 0.789======================= Grid point 420 (185/189) =======================q-point: ( 0.46 0.38 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.533 ( 5.232 -3.057 -4.325) 7.445 0.541 ( 1.022 -2.146 3.973) 4.629 0.710 ( -1.957 -2.710 3.520) 4.854 0.757 ( -0.615 -0.367 -4.722) 4.776 1.118 ( 3.064 0.398 3.430) 4.616 1.166 ( 2.420 -1.866 -1.697) 3.495 1.266 ( 4.612 -4.224 -6.570) 9.071 1.286 ( -3.679 -4.361 6.190) 8.418 1.723 ( 6.413 -2.026 -10.795) 12.718 1.776 ( -8.705 -0.824 10.196) 13.432 1.955 ( -0.654 0.188 -1.745) 1.873 1.993 ( -5.336 -1.812 1.343) 5.793 2.208 ( 0.814 -0.175 2.268) 2.416 2.269 ( -1.303 -0.116 -2.604) 2.914 2.765 ( 2.817 -0.082 -5.126) 5.850 2.803 ( -5.573 -0.297 5.427) 7.785 3.323 ( -4.408 -1.863 9.236) 10.402 3.347 ( 3.518 -2.336 -9.319) 10.231 3.790 ( 2.421 -2.808 0.407) 3.729 3.859 ( -2.291 -2.240 -0.393) 3.228 4.447 ( 1.017 -0.825 0.083) 1.312 4.467 ( -0.611 -1.267 0.099) 1.410 4.931 ( 2.346 -2.802 -3.758) 5.242 4.935 ( -1.727 -2.532 3.418) 4.591 5.673 ( 1.823 -0.343 -0.224) 1.869 5.706 ( -1.546 -0.369 1.155) 1.964 5.792 ( 1.471 0.492 -2.854) 3.248 5.797 ( -1.358 0.382 2.055) 2.493 9.003 ( -0.804 0.200 1.817) 1.997 9.020 ( 0.058 0.201 -2.257) 2.267 9.638 ( 1.848 -0.104 -1.423) 2.335 9.659 ( -1.330 0.038 1.508) 2.011 10.093 ( 0.990 -0.292 2.745) 2.932 10.164 ( -1.515 -0.076 -2.754) 3.144 10.399 ( 0.581 0.737 0.816) 1.244 10.411 ( 0.399 0.660 -0.775) 1.094======================= Grid point 421 (186/189) =======================q-point: ( 0.54 0.38 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.600 ( -0.015 -2.292 3.203) 3.939 0.609 ( 2.044 -3.100 -3.220) 4.915 0.769 ( -0.879 -3.445 1.983) 4.071 0.777 ( 0.336 -3.787 -2.760) 4.698 1.138 ( 3.739 0.602 1.788) 4.188 1.180 ( -1.597 -0.132 -0.509) 1.681 1.387 ( 5.211 -7.548 -6.897) 11.476 1.406 ( -4.861 -8.252 6.443) 11.543 1.746 ( 6.235 1.131 -8.932) 10.951 1.770 ( -6.838 0.523 8.592) 10.994 1.975 ( 2.373 -3.216 -1.395) 4.233 2.016 ( -5.338 -4.066 1.272) 6.830 2.240 ( 1.311 -1.856 1.799) 2.898 2.268 ( -1.285 -1.616 -1.857) 2.777 2.771 ( 3.460 -0.074 -4.221) 5.459 2.793 ( -4.699 -0.277 4.378) 6.429 3.378 ( -1.244 -3.357 4.630) 5.853 3.395 ( 0.907 -3.476 -4.519) 5.773 3.868 ( 2.331 -3.654 -0.504) 4.364 3.896 ( -2.492 -3.099 0.249) 3.985 4.482 ( -0.497 -2.245 3.294) 4.018 4.496 ( 0.696 -2.385 -3.410) 4.219 4.996 ( -1.872 -3.844 5.007) 6.585 5.004 ( 2.107 -4.239 -4.882) 6.800 5.691 ( 1.689 -0.398 -0.026) 1.736 5.709 ( -1.568 -0.578 0.630) 1.786 5.782 ( 1.186 0.400 -1.637) 2.061 5.788 ( -1.099 0.190 1.090) 1.559 9.001 ( -0.280 0.169 1.405) 1.443 9.010 ( -0.034 0.223 -1.583) 1.599 9.646 ( 1.391 -0.079 -1.072) 1.759 9.655 ( -1.168 0.078 1.110) 1.613 10.116 ( 1.191 -0.364 2.591) 2.875 10.149 ( -1.417 -0.168 -2.594) 2.960 10.386 ( 0.374 1.226 0.769) 1.495 10.392 ( 0.132 1.190 -0.749) 1.413======================= Grid point 422 (187/189) =======================q-point: ( 0.62 0.38 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 176Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.638 ( -0.010 -0.689 -2.932) 3.012 0.638 ( 0.010 -0.689 2.932) 3.012 0.864 ( 3.523 -5.931 -5.390) 8.754 0.864 ( -3.523 -5.931 5.390) 8.754 1.157 ( -2.986 0.384 -1.471) 3.351 1.157 ( 2.986 0.384 1.471) 3.351 1.556 ( 6.455 -8.587 -9.681) 14.460 1.556 ( -6.455 -8.587 9.681) 14.460 1.710 ( 5.764 3.420 -8.024) 10.455 1.710 ( -5.764 3.420 8.024) 10.455 2.087 ( 3.209 -5.972 -6.038) 9.079 2.087 ( -3.209 -5.972 6.038) 9.079 2.303 ( -0.451 -3.307 -1.725) 3.757 2.303 ( 0.451 -3.307 1.725) 3.757 2.779 ( 4.641 0.386 -8.319) 9.534 2.779 ( -4.641 0.386 8.319) 9.534 3.450 ( 4.665 -3.081 -9.109) 10.688 3.450 ( -4.665 -3.081 9.109) 10.688 3.944 ( 3.392 -3.338 -6.086) 7.726 3.944 ( -3.392 -3.338 6.086) 7.726 4.544 ( 1.036 -3.497 -4.222) 5.580 4.544 ( -1.036 -3.497 4.222) 5.580 5.074 ( 3.468 -3.552 -8.412) 9.767 5.074 ( -3.468 -3.552 8.412) 9.767 5.707 ( -1.449 -0.127 -0.493) 1.535 5.707 ( 1.449 -0.127 0.493) 1.535 5.789 ( 1.112 -0.783 -1.941) 2.370 5.789 ( -1.112 -0.783 1.941) 2.370 9.002 ( 0.190 0.071 -1.243) 1.259 9.002 ( -0.190 0.071 1.243) 1.259 9.650 ( 0.738 0.062 -0.566) 0.932 9.650 ( -0.738 0.062 0.566) 0.932 10.137 ( -1.163 -0.235 -2.298) 2.586 10.137 ( 1.163 -0.235 2.298) 2.586 10.365 ( 0.138 1.461 -0.947) 1.747 10.365 ( -0.138 1.461 0.947) 1.747======================= Grid point 434 (188/189) =======================q-point: ( 0.46 0.46 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.523 ( 5.057 -0.000 -4.370) 6.684 0.535 ( -1.096 0.000 4.586) 4.715 0.687 ( 0.268 -0.000 2.850) 2.863 0.728 ( -2.425 0.000 -3.559) 4.307 1.141 ( 5.717 -0.000 -6.630) 8.754 1.148 ( -2.113 0.000 6.388) 6.729 1.239 ( -0.050 0.000 2.357) 2.357 1.248 ( 0.406 -0.000 -1.495) 1.549 1.707 ( 7.627 -0.000 -11.442) 13.751 1.740 ( -9.627 0.000 11.290) 14.837 1.953 ( -2.752 0.000 2.782) 3.913 1.955 ( 0.258 -0.000 -3.479) 3.488 2.221 ( 0.606 -0.000 3.021) 3.081 2.252 ( -1.099 0.000 -3.076) 3.267 2.766 ( 3.313 -0.000 -4.793) 5.826 2.785 ( -4.802 0.000 4.887) 6.851 3.307 ( -6.174 0.000 12.830) 14.238 3.318 ( 5.723 -0.000 -12.905) 14.117 3.781 ( 2.626 -0.000 1.085) 2.841 3.820 ( -2.441 0.000 -0.949) 2.619 4.445 ( 2.468 -0.000 -3.120) 3.978 4.453 ( -2.226 0.000 3.335) 4.009 4.905 ( 2.667 -0.000 -4.165) 4.946 4.911 ( -2.343 0.000 3.821) 4.482 5.679 ( 1.763 -0.000 -0.404) 1.808 5.696 ( -1.583 0.000 0.870) 1.806 5.797 ( 1.665 -0.000 -2.948) 3.386 5.800 ( -1.636 0.000 2.562) 3.039 9.007 ( -0.748 0.000 2.219) 2.341 9.015 ( 0.325 -0.000 -2.476) 2.497 9.644 ( 1.939 -0.000 -1.633) 2.535 9.655 ( -1.660 0.000 1.678) 2.361 10.107 ( 1.232 -0.000 3.074) 3.312 10.145 ( -1.514 0.000 -3.056) 3.411 10.412 ( 0.278 -0.000 0.779) 0.828 10.417 ( 0.244 -0.000 -0.765) 0.803======================= Grid point 435 (189/189) =======================q-point: ( 0.54 0.46 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 8.58e-05 8.58e-05 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 176Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.558 ( 2.846 -2.276 -4.198) 5.559 0.558 ( -2.846 -2.276 4.198) 5.559 0.721 ( 0.483 -1.798 -4.681) 5.037 0.721 ( -0.483 -1.798 4.681) 5.037 1.162 ( 0.043 -0.589 -3.386) 3.437 1.162 ( -0.043 -0.589 3.386) 3.437 1.279 ( 3.910 -4.153 -5.974) 8.260 1.279 ( -3.910 -4.153 5.974) 8.260 1.741 ( 7.777 -1.781 -11.041) 13.622 1.741 ( -7.777 -1.781 11.041) 13.622 1.954 ( 2.563 -0.634 -4.401) 5.132 1.954 ( -2.563 -0.634 4.401) 5.132 2.237 ( -0.684 -0.265 -3.080) 3.166 2.237 ( 0.684 -0.265 3.080) 3.166 2.776 ( 4.362 -0.255 -5.521) 7.041 2.776 ( -4.362 -0.255 5.521) 7.041 3.332 ( 5.904 -2.124 -12.746) 14.207 3.332 ( -5.904 -2.124 12.746) 14.207 3.825 ( -1.839 -2.428 -1.273) 3.302 3.825 ( 1.839 -2.428 1.273) 3.302 4.459 ( 1.748 -0.992 -3.536) 4.067 4.459 ( -1.748 -0.992 3.536) 4.067 4.935 ( 2.646 -2.699 -4.818) 6.124 4.935 ( -2.646 -2.699 4.818) 6.124 5.692 ( 0.557 -0.373 -0.232) 0.709 5.692 ( -0.557 -0.373 0.232) 0.709 5.793 ( 1.627 0.454 -2.627) 3.123 5.793 ( -1.627 0.454 2.627) 3.123 9.008 ( 0.471 0.175 -2.206) 2.263 9.008 ( -0.471 0.175 2.206) 2.263 9.650 ( 1.676 -0.024 -1.519) 2.262 9.650 ( -1.676 -0.024 1.519) 2.262 10.127 ( -1.380 -0.194 -3.006) 3.313 10.127 ( 1.380 -0.194 3.006) 3.313 10.408 ( 0.011 0.699 -0.837) 1.091 10.408 ( -0.011 0.699 0.837) 1.091=================== 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 3/24336 10.0 4.980 7.816 9.637 -0.000 -0.463 -0.000 3/24336 20.0 2.077 3.293 3.822 -0.000 -0.530 -0.000 3/24336 30.0 1.293 2.008 2.373 -0.000 -0.428 -0.000 3/24336 40.0 0.935 1.430 1.723 -0.000 -0.348 -0.000 3/24336 50.0 0.732 1.108 1.356 -0.000 -0.290 -0.000 3/24336 60.0 0.601 0.904 1.120 -0.000 -0.249 -0.000 3/24336 70.0 0.511 0.764 0.956 -0.000 -0.217 -0.000 3/24336 80.0 0.445 0.662 0.834 -0.000 -0.193 -0.000 3/24336 90.0 0.394 0.585 0.741 -0.000 -0.174 -0.000 3/24336 100.0 0.353 0.524 0.667 -0.000 -0.158 -0.000 3/24336 110.0 0.321 0.474 0.606 -0.000 -0.145 -0.000 3/24336 120.0 0.294 0.434 0.556 -0.000 -0.133 -0.000 3/24336 130.0 0.271 0.400 0.513 -0.000 -0.124 -0.000 3/24336 140.0 0.252 0.370 0.477 -0.000 -0.115 -0.000 3/24336 150.0 0.235 0.345 0.445 -0.000 -0.108 -0.000 3/24336 160.0 0.220 0.323 0.418 -0.000 -0.102 -0.000 3/24336 170.0 0.207 0.304 0.394 -0.000 -0.096 -0.000 3/24336 180.0 0.196 0.287 0.372 -0.000 -0.091 -0.000 3/24336 190.0 0.186 0.272 0.353 -0.000 -0.086 -0.000 3/24336 200.0 0.176 0.258 0.335 -0.000 -0.082 -0.000 3/24336 210.0 0.168 0.246 0.319 -0.000 -0.078 -0.000 3/24336 220.0 0.161 0.235 0.305 -0.000 -0.075 -0.000 3/24336 230.0 0.154 0.224 0.292 -0.000 -0.072 -0.000 3/24336 240.0 0.147 0.215 0.280 -0.000 -0.069 -0.000 3/24336 250.0 0.142 0.207 0.269 -0.000 -0.066 -0.000 3/24336 260.0 0.136 0.199 0.259 -0.000 -0.064 -0.000 3/24336 270.0 0.131 0.191 0.249 -0.000 -0.061 -0.000 3/24336 280.0 0.127 0.184 0.240 -0.000 -0.059 -0.000 3/24336 290.0 0.122 0.178 0.232 -0.000 -0.057 -0.000 3/24336 300.0 0.118 0.172 0.225 -0.000 -0.055 -0.000 3/24336 310.0 0.114 0.167 0.217 -0.000 -0.054 -0.000 3/24336 320.0 0.111 0.161 0.211 -0.000 -0.052 -0.000 3/24336 330.0 0.108 0.157 0.204 -0.000 -0.050 -0.000 3/24336 340.0 0.105 0.152 0.198 -0.000 -0.049 -0.000 3/24336 350.0 0.102 0.148 0.193 -0.000 -0.048 -0.000 3/24336 360.0 0.099 0.144 0.188 -0.000 -0.046 -0.000 3/24336 370.0 0.096 0.140 0.183 -0.000 -0.045 -0.000 3/24336 380.0 0.094 0.136 0.178 -0.000 -0.044 -0.000 3/24336 390.0 0.091 0.133 0.173 -0.000 -0.043 -0.000 3/24336 400.0 0.089 0.129 0.169 -0.000 -0.042 -0.000 3/24336 410.0 0.087 0.126 0.165 -0.000 -0.041 -0.000 3/24336 420.0 0.085 0.123 0.161 -0.000 -0.040 -0.000 3/24336 430.0 0.083 0.120 0.157 -0.000 -0.039 -0.000 3/24336 440.0 0.081 0.118 0.154 -0.000 -0.038 -0.000 3/24336 450.0 0.079 0.115 0.150 -0.000 -0.037 -0.000 3/24336 460.0 0.078 0.113 0.147 -0.000 -0.036 -0.000 3/24336 470.0 0.076 0.110 0.144 -0.000 -0.036 -0.000 3/24336 480.0 0.074 0.108 0.141 -0.000 -0.035 -0.000 3/24336 490.0 0.073 0.106 0.138 -0.000 -0.034 -0.000 3/24336 500.0 0.072 0.104 0.136 -0.000 -0.033 -0.000 3/24336 510.0 0.070 0.102 0.133 -0.000 -0.033 -0.000 3/24336 520.0 0.069 0.100 0.130 -0.000 -0.032 -0.000 3/24336 530.0 0.068 0.098 0.128 -0.000 -0.032 -0.000 3/24336 540.0 0.066 0.096 0.126 -0.000 -0.031 -0.000 3/24336 550.0 0.065 0.094 0.123 -0.000 -0.030 -0.000 3/24336 560.0 0.064 0.093 0.121 -0.000 -0.030 -0.000 3/24336 570.0 0.063 0.091 0.119 -0.000 -0.029 -0.000 3/24336 580.0 0.062 0.089 0.117 -0.000 -0.029 -0.000 3/24336 590.0 0.061 0.088 0.115 -0.000 -0.028 -0.000 3/24336 600.0 0.060 0.086 0.113 -0.000 -0.028 -0.000 3/24336 610.0 0.059 0.085 0.111 -0.000 -0.028 -0.000 3/24336 620.0 0.058 0.084 0.110 -0.000 -0.027 -0.000 3/24336 630.0 0.057 0.082 0.108 -0.000 -0.027 -0.000 3/24336 640.0 0.056 0.081 0.106 -0.000 -0.026 -0.000 3/24336 650.0 0.055 0.080 0.105 -0.000 -0.026 -0.000 3/24336 660.0 0.054 0.079 0.103 -0.000 -0.025 -0.000 3/24336 670.0 0.054 0.077 0.102 -0.000 -0.025 -0.000 3/24336 680.0 0.053 0.076 0.100 -0.000 -0.025 -0.000 3/24336 690.0 0.052 0.075 0.099 -0.000 -0.024 -0.000 3/24336 700.0 0.051 0.074 0.097 -0.000 -0.024 -0.000 3/24336 710.0 0.051 0.073 0.096 -0.000 -0.024 -0.000 3/24336 720.0 0.050 0.072 0.095 -0.000 -0.023 -0.000 3/24336 730.0 0.049 0.071 0.093 -0.000 -0.023 -0.000 3/24336 740.0 0.049 0.070 0.092 -0.000 -0.023 -0.000 3/24336 750.0 0.048 0.069 0.091 -0.000 -0.022 -0.000 3/24336 760.0 0.047 0.068 0.090 -0.000 -0.022 -0.000 3/24336 770.0 0.047 0.067 0.088 -0.000 -0.022 -0.000 3/24336 780.0 0.046 0.067 0.087 -0.000 -0.022 -0.000 3/24336 790.0 0.046 0.066 0.086 -0.000 -0.021 -0.000 3/24336 800.0 0.045 0.065 0.085 -0.000 -0.021 -0.000 3/24336 810.0 0.045 0.064 0.084 -0.000 -0.021 -0.000 3/24336 820.0 0.044 0.063 0.083 -0.000 -0.021 -0.000 3/24336 830.0 0.043 0.063 0.082 -0.000 -0.020 -0.000 3/24336 840.0 0.043 0.062 0.081 -0.000 -0.020 -0.000 3/24336 850.0 0.042 0.061 0.080 -0.000 -0.020 -0.000 3/24336 860.0 0.042 0.060 0.079 -0.000 -0.020 -0.000 3/24336 870.0 0.041 0.060 0.078 -0.000 -0.019 -0.000 3/24336 880.0 0.041 0.059 0.078 -0.000 -0.019 -0.000 3/24336 890.0 0.041 0.058 0.077 -0.000 -0.019 -0.000 3/24336 900.0 0.040 0.058 0.076 -0.000 -0.019 -0.000 3/24336 910.0 0.040 0.057 0.075 -0.000 -0.019 -0.000 3/24336 920.0 0.039 0.057 0.074 -0.000 -0.018 -0.000 3/24336 930.0 0.039 0.056 0.073 -0.000 -0.018 -0.000 3/24336 940.0 0.038 0.055 0.073 -0.000 -0.018 -0.000 3/24336 950.0 0.038 0.055 0.072 -0.000 -0.018 -0.000 3/24336 960.0 0.038 0.054 0.071 -0.000 -0.018 -0.000 3/24336 970.0 0.037 0.054 0.070 -0.000 -0.017 -0.000 3/24336 980.0 0.037 0.053 0.070 -0.000 -0.017 -0.000 3/24336 990.0 0.037 0.053 0.069 -0.000 -0.017 -0.000 3/24336 1000.0 0.036 0.052 0.068 -0.000 -0.017 -0.000 3/24336Thermal conductivity related properties were written into "kappa-m13134.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 18:55:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|