# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/0cfb0e75-9f3c-4881-9d56-3f0815f31bea/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 ZnSeO4 / Cmcm (63) / materials id 754358](https://mdr.nims.go.jp/datasets/02f72390-20b7-4b4d-9196-29c500790a9f) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 23:24:34]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: Cmcm (63)Number of symmetry operations in supercell: 64------------------------------ primitive cell ------------------------------Lattice vectors: a 2.741899985000000 -4.089120640000000 0.000000000000000 b 2.741899985000000 4.089120640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.539954270000002Atomic positions (fractional): *1 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 2 Zn 0.00000000000000 0.00000000000000 0.50000000000000 65.380 *3 Se 0.64961099519373 0.35038900480627 0.25000000000000 78.960 4 Se 0.35038900480627 0.64961099519373 0.75000000000000 78.960 *5 O 0.22555726540247 0.27822927281086 0.75000000000000 15.999 6 O 0.27822927281086 0.22555726540247 0.25000000000000 15.999 *7 O 0.75637736313896 0.24362263686104 0.03608583165375 15.999 8 O 0.75637736313896 0.24362263686104 0.46391416834625 15.999 9 O 0.24362263686104 0.75637736313896 0.53608583165375 15.999 10 O 0.24362263686104 0.75637736313896 0.96391416834625 15.999 11 O 0.77444273459753 0.72177072718914 0.25000000000000 15.999 12 O 0.72177072718914 0.77444273459753 0.75000000000000 15.999-------------------------------- unit cell ---------------------------------Lattice vectors: a 5.483799970000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.178241280000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.539954270000002Atomic positions (fractional): *1 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 > 1 2 Zn 0.00000000000000 0.00000000000000 0.50000000000000 65.380 > 2 3 Zn 0.50000000000000 0.50000000000000 0.00000000000000 65.380 > 1 4 Zn 0.50000000000000 0.50000000000000 0.50000000000000 65.380 > 2 *5 Se 0.50000000000000 0.85038900480627 0.25000000000000 78.960 > 3 6 Se 0.50000000000000 0.14961099519373 0.75000000000000 78.960 > 4 7 Se 0.00000000000000 0.35038900480627 0.25000000000000 78.960 > 3 8 Se 0.00000000000000 0.64961099519373 0.75000000000000 78.960 > 4 *9 O 0.25189326910667 0.02633600370419 0.75000000000000 15.999 > 5 10 O 0.25189326910667 0.97366399629581 0.25000000000000 15.999 > 6 *11 O 0.50000000000000 0.74362263686104 0.03608583165375 15.999 > 7 12 O 0.50000000000000 0.74362263686104 0.46391416834625 15.999 > 8 13 O 0.50000000000000 0.25637736313896 0.53608583165375 15.999 > 9 14 O 0.50000000000000 0.25637736313896 0.96391416834625 15.999 > 10 15 O 0.74810673089333 0.97366399629581 0.25000000000000 15.999 > 11 16 O 0.74810673089333 0.02633600370419 0.75000000000000 15.999 > 12 17 O 0.75189326910667 0.52633600370419 0.75000000000000 15.999 > 5 18 O 0.75189326910667 0.47366399629581 0.25000000000000 15.999 > 6 19 O 0.00000000000000 0.24362263686104 0.03608583165375 15.999 > 7 20 O 0.00000000000000 0.24362263686104 0.46391416834625 15.999 > 8 21 O 0.00000000000000 0.75637736313896 0.53608583165375 15.999 > 9 22 O 0.00000000000000 0.75637736313896 0.96391416834625 15.999 > 10 23 O 0.24810673089333 0.47366399629581 0.25000000000000 15.999 > 11 24 O 0.24810673089333 0.52633600370419 0.75000000000000 15.999 > 12-------------------------------- super cell --------------------------------Lattice vectors: a 10.967599939999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.178241280000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.079908540000003Atomic positions (fractional): *1 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 > 1 2 Zn 0.50000000000000 0.00000000000000 0.00000000000000 65.380 > 1 3 Zn 0.00000000000000 0.00000000000000 0.50000000000000 65.380 > 1 4 Zn 0.50000000000000 0.00000000000000 0.50000000000000 65.380 > 1 5 Zn 0.00000000000000 0.00000000000000 0.25000000000000 65.380 > 2 6 Zn 0.50000000000000 0.00000000000000 0.25000000000000 65.380 > 2 7 Zn 0.00000000000000 0.00000000000000 0.75000000000000 65.380 > 2 8 Zn 0.50000000000000 0.00000000000000 0.75000000000000 65.380 > 2 9 Zn 0.25000000000000 0.50000000000000 0.00000000000000 65.380 > 1 10 Zn 0.75000000000000 0.50000000000000 0.00000000000000 65.380 > 1 11 Zn 0.25000000000000 0.50000000000000 0.50000000000000 65.380 > 1 12 Zn 0.75000000000000 0.50000000000000 0.50000000000000 65.380 > 1 13 Zn 0.25000000000000 0.50000000000000 0.25000000000000 65.380 > 2 14 Zn 0.75000000000000 0.50000000000000 0.25000000000000 65.380 > 2 15 Zn 0.25000000000000 0.50000000000000 0.75000000000000 65.380 > 2 16 Zn 0.75000000000000 0.50000000000000 0.75000000000000 65.380 > 2 *17 Se 0.25000000000000 0.85038900480627 0.12500000000000 78.960 > 3 18 Se 0.75000000000000 0.85038900480627 0.12500000000000 78.960 > 3 19 Se 0.25000000000000 0.85038900480627 0.62500000000000 78.960 > 3 20 Se 0.75000000000000 0.85038900480627 0.62500000000000 78.960 > 3 21 Se 0.25000000000000 0.14961099519373 0.37500000000000 78.960 > 4 22 Se 0.75000000000000 0.14961099519373 0.37500000000000 78.960 > 4 23 Se 0.25000000000000 0.14961099519373 0.87500000000000 78.960 > 4 24 Se 0.75000000000000 0.14961099519373 0.87500000000000 78.960 > 4 25 Se 0.00000000000000 0.35038900480627 0.12500000000000 78.960 > 3 26 Se 0.50000000000000 0.35038900480627 0.12500000000000 78.960 > 3 27 Se 0.00000000000000 0.35038900480627 0.62500000000000 78.960 > 3 28 Se 0.50000000000000 0.35038900480627 0.62500000000000 78.960 > 3 29 Se 0.00000000000000 0.64961099519373 0.37500000000000 78.960 > 4 30 Se 0.50000000000000 0.64961099519373 0.37500000000000 78.960 > 4 31 Se 0.00000000000000 0.64961099519373 0.87500000000000 78.960 > 4 32 Se 0.50000000000000 0.64961099519373 0.87500000000000 78.960 > 4 *33 O 0.12594663455333 0.02633600370419 0.37500000000000 15.999 > 5 34 O 0.62594663455333 0.02633600370419 0.37500000000000 15.999 > 5 35 O 0.12594663455333 0.02633600370419 0.87500000000000 15.999 > 5 36 O 0.62594663455333 0.02633600370419 0.87500000000000 15.999 > 5 37 O 0.12594663455333 0.97366399629581 0.12500000000000 15.999 > 6 38 O 0.62594663455333 0.97366399629581 0.12500000000000 15.999 > 6 39 O 0.12594663455333 0.97366399629581 0.62500000000000 15.999 > 6 40 O 0.62594663455333 0.97366399629581 0.62500000000000 15.999 > 6 *41 O 0.25000000000000 0.74362263686104 0.01804291582687 15.999 > 7 42 O 0.75000000000000 0.74362263686104 0.01804291582687 15.999 > 7 43 O 0.25000000000000 0.74362263686104 0.51804291582687 15.999 > 7 44 O 0.75000000000000 0.74362263686104 0.51804291582687 15.999 > 7 45 O 0.25000000000000 0.74362263686104 0.23195708417313 15.999 > 8 46 O 0.75000000000000 0.74362263686104 0.23195708417313 15.999 > 8 47 O 0.25000000000000 0.74362263686104 0.73195708417313 15.999 > 8 48 O 0.75000000000000 0.74362263686104 0.73195708417313 15.999 > 8 49 O 0.25000000000000 0.25637736313896 0.26804291582687 15.999 > 9 50 O 0.75000000000000 0.25637736313896 0.26804291582687 15.999 > 9 51 O 0.25000000000000 0.25637736313896 0.76804291582687 15.999 > 9 52 O 0.75000000000000 0.25637736313896 0.76804291582687 15.999 > 9 53 O 0.25000000000000 0.25637736313896 0.48195708417313 15.999 > 10 54 O 0.75000000000000 0.25637736313896 0.48195708417313 15.999 > 10 55 O 0.25000000000000 0.25637736313896 0.98195708417313 15.999 > 10 56 O 0.75000000000000 0.25637736313896 0.98195708417313 15.999 > 10 57 O 0.37405336544667 0.97366399629581 0.12500000000000 15.999 > 11 58 O 0.87405336544667 0.97366399629581 0.12500000000000 15.999 > 11 59 O 0.37405336544667 0.97366399629581 0.62500000000000 15.999 > 11 60 O 0.87405336544667 0.97366399629581 0.62500000000000 15.999 > 11 61 O 0.37405336544667 0.02633600370419 0.37500000000000 15.999 > 12 62 O 0.87405336544667 0.02633600370419 0.37500000000000 15.999 > 12 63 O 0.37405336544667 0.02633600370419 0.87500000000000 15.999 > 12 64 O 0.87405336544667 0.02633600370419 0.87500000000000 15.999 > 12 65 O 0.37594663455333 0.52633600370419 0.37500000000000 15.999 > 5 66 O 0.87594663455333 0.52633600370419 0.37500000000000 15.999 > 5 67 O 0.37594663455333 0.52633600370419 0.87500000000000 15.999 > 5 68 O 0.87594663455333 0.52633600370419 0.87500000000000 15.999 > 5 69 O 0.37594663455333 0.47366399629581 0.12500000000000 15.999 > 6 70 O 0.87594663455333 0.47366399629581 0.12500000000000 15.999 > 6 71 O 0.37594663455333 0.47366399629581 0.62500000000000 15.999 > 6 72 O 0.87594663455333 0.47366399629581 0.62500000000000 15.999 > 6 73 O 0.00000000000000 0.24362263686104 0.01804291582687 15.999 > 7 74 O 0.50000000000000 0.24362263686104 0.01804291582687 15.999 > 7 75 O 0.00000000000000 0.24362263686104 0.51804291582687 15.999 > 7 76 O 0.50000000000000 0.24362263686104 0.51804291582687 15.999 > 7 77 O 0.00000000000000 0.24362263686104 0.23195708417313 15.999 > 8 78 O 0.50000000000000 0.24362263686104 0.23195708417313 15.999 > 8 79 O 0.00000000000000 0.24362263686104 0.73195708417313 15.999 > 8 80 O 0.50000000000000 0.24362263686104 0.73195708417313 15.999 > 8 81 O 0.00000000000000 0.75637736313896 0.26804291582687 15.999 > 9 82 O 0.50000000000000 0.75637736313896 0.26804291582687 15.999 > 9 83 O 0.00000000000000 0.75637736313896 0.76804291582687 15.999 > 9 84 O 0.50000000000000 0.75637736313896 0.76804291582687 15.999 > 9 85 O 0.00000000000000 0.75637736313896 0.48195708417313 15.999 > 10 86 O 0.50000000000000 0.75637736313896 0.48195708417313 15.999 > 10 87 O 0.00000000000000 0.75637736313896 0.98195708417313 15.999 > 10 88 O 0.50000000000000 0.75637736313896 0.98195708417313 15.999 > 10 89 O 0.12405336544667 0.47366399629581 0.12500000000000 15.999 > 11 90 O 0.62405336544667 0.47366399629581 0.12500000000000 15.999 > 11 91 O 0.12405336544667 0.47366399629581 0.62500000000000 15.999 > 11 92 O 0.62405336544667 0.47366399629581 0.62500000000000 15.999 > 11 93 O 0.12405336544667 0.52633600370419 0.37500000000000 15.999 > 12 94 O 0.62405336544667 0.52633600370419 0.37500000000000 15.999 > 12 95 O 0.12405336544667 0.52633600370419 0.87500000000000 15.999 > 12 96 O 0.62405336544667 0.52633600370419 0.87500000000000 15.999 > 12----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.9717295 0.0000000 0.0000000 0.0000000 3.7426726 0.0000000 0.0000000 0.0000000 3.5802266-------------------------- Born effective charges -------------------------- 1 Zn 2.7365725 0.0000000 0.0000000 0.0000000 2.6378535 -0.6253066 0.0000000 0.4769584 2.4746593 2 Zn 2.7365725 0.0000000 0.0000000 0.0000000 2.6378535 0.6253066 0.0000000 -0.4769584 2.4746593 3 Se 3.9204131 0.0000000 0.0000000 0.0000000 3.5363967 0.0000000 0.0000000 0.0000000 3.1665709 4 Se 3.9204131 0.0000000 0.0000000 0.0000000 3.5363967 0.0000000 0.0000000 0.0000000 3.1665709 5 O -2.4180280 -0.8160108 0.0000000 -0.7305749 -1.3139696 0.0000000 0.0000000 0.0000000 -1.3565215 6 O -2.4180280 0.8160108 0.0000000 0.7305749 -1.3139696 0.0000000 0.0000000 0.0000000 -1.3565215 7 O -0.9104648 0.0000000 0.0000000 0.0000000 -1.7731555 -0.5493576 0.0000000 -0.5750849 -1.4640936 8 O -0.9104648 0.0000000 0.0000000 0.0000000 -1.7731555 0.5493576 0.0000000 0.5750849 -1.4640936 9 O -0.9104648 0.0000000 0.0000000 0.0000000 -1.7731555 0.5493576 0.0000000 0.5750849 -1.4640936 10 O -0.9104648 0.0000000 0.0000000 0.0000000 -1.7731555 -0.5493576 0.0000000 -0.5750849 -1.4640936 11 O -2.4180280 -0.8160108 0.0000000 -0.7305749 -1.3139696 0.0000000 0.0000000 0.0000000 -1.3565215 12 O -2.4180280 0.8160108 0.0000000 0.7305749 -1.3139696 0.0000000 0.0000000 0.0000000 -1.3565215----------------------------------------------------------------------------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: 760Number of blocks in projector: 760Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 160Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 128Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 126Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 126Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 126Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 94Use standard eigh solver.Tree of FC basis block matrices:- (760, 742), data: False|-- (94, 94), data: True|-- (126, 122), data: True|-- (126, 122), data: True|-- (126, 122), data: True|-- (128, 126), data: True|-- (160, 156), data: True-----Solver_atoms: 1 -- 96 / 96Time (Solver_compr_matrix_reshape): 0.004Solver_block: 100 / 240 - Time: 0.592Solver_block: 200 / 240 - Time: 0.597Solver_block: 240 / 240 - Time: 0.300Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.506--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 288/288Permutation basis: 6624/6624Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 760Number of blocks in projector: 760Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 160Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 128Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 126Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 126Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 126Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 94Use standard eigh solver.Tree of FC basis block matrices:- (760, 742), data: False|-- (94, 94), data: True|-- (126, 122), data: True|-- (126, 122), data: True|-- (126, 122), data: True|-- (128, 126), data: True|-- (160, 156), 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 23:24:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 23:24:45]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 1 2]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: Cmcm (63)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.741899985000000 -4.089120640000000 0.000000000000000 b 2.741899985000000 4.089120640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.539954270000002Atomic positions (fractional): 1 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 2 Zn 0.00000000000000 0.00000000000000 0.50000000000000 65.380 3 Se 0.64961099519373 0.35038900480627 0.25000000000000 78.960 4 Se 0.35038900480627 0.64961099519373 0.75000000000000 78.960 5 O 0.22555726540247 0.27822927281086 0.75000000000000 15.999 6 O 0.27822927281086 0.22555726540247 0.25000000000000 15.999 7 O 0.75637736313896 0.24362263686104 0.03608583165375 15.999 8 O 0.75637736313896 0.24362263686104 0.46391416834625 15.999 9 O 0.24362263686104 0.75637736313896 0.53608583165375 15.999 10 O 0.24362263686104 0.75637736313896 0.96391416834625 15.999 11 O 0.77444273459753 0.72177072718914 0.25000000000000 15.999 12 O 0.72177072718914 0.77444273459753 0.75000000000000 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 10.967599939999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.178241280000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.079908540000003Atomic positions (fractional): 1 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 > 1 2 Zn 0.50000000000000 0.00000000000000 0.00000000000000 65.380 > 1 3 Zn 0.00000000000000 0.00000000000000 0.50000000000000 65.380 > 1 4 Zn 0.50000000000000 0.00000000000000 0.50000000000000 65.380 > 1 5 Zn 0.00000000000000 0.00000000000000 0.25000000000000 65.380 > 5 6 Zn 0.50000000000000 0.00000000000000 0.25000000000000 65.380 > 5 7 Zn 0.00000000000000 0.00000000000000 0.75000000000000 65.380 > 5 8 Zn 0.50000000000000 0.00000000000000 0.75000000000000 65.380 > 5 9 Zn 0.25000000000000 0.50000000000000 0.00000000000000 65.380 > 1 10 Zn 0.75000000000000 0.50000000000000 0.00000000000000 65.380 > 1 11 Zn 0.25000000000000 0.50000000000000 0.50000000000000 65.380 > 1 12 Zn 0.75000000000000 0.50000000000000 0.50000000000000 65.380 > 1 13 Zn 0.25000000000000 0.50000000000000 0.25000000000000 65.380 > 5 14 Zn 0.75000000000000 0.50000000000000 0.25000000000000 65.380 > 5 15 Zn 0.25000000000000 0.50000000000000 0.75000000000000 65.380 > 5 16 Zn 0.75000000000000 0.50000000000000 0.75000000000000 65.380 > 5 17 Se 0.25000000000000 0.85038900480627 0.12500000000000 78.960 > 17 18 Se 0.75000000000000 0.85038900480627 0.12500000000000 78.960 > 17 19 Se 0.25000000000000 0.85038900480627 0.62500000000000 78.960 > 17 20 Se 0.75000000000000 0.85038900480627 0.62500000000000 78.960 > 17 21 Se 0.25000000000000 0.14961099519373 0.37500000000000 78.960 > 21 22 Se 0.75000000000000 0.14961099519373 0.37500000000000 78.960 > 21 23 Se 0.25000000000000 0.14961099519373 0.87500000000000 78.960 > 21 24 Se 0.75000000000000 0.14961099519373 0.87500000000000 78.960 > 21 25 Se 0.00000000000000 0.35038900480627 0.12500000000000 78.960 > 17 26 Se 0.50000000000000 0.35038900480627 0.12500000000000 78.960 > 17 27 Se 0.00000000000000 0.35038900480627 0.62500000000000 78.960 > 17 28 Se 0.50000000000000 0.35038900480627 0.62500000000000 78.960 > 17 29 Se 0.00000000000000 0.64961099519373 0.37500000000000 78.960 > 21 30 Se 0.50000000000000 0.64961099519373 0.37500000000000 78.960 > 21 31 Se 0.00000000000000 0.64961099519373 0.87500000000000 78.960 > 21 32 Se 0.50000000000000 0.64961099519373 0.87500000000000 78.960 > 21 33 O 0.12594663455333 0.02633600370419 0.37500000000000 15.999 > 33 34 O 0.62594663455333 0.02633600370419 0.37500000000000 15.999 > 33 35 O 0.12594663455333 0.02633600370419 0.87500000000000 15.999 > 33 36 O 0.62594663455333 0.02633600370419 0.87500000000000 15.999 > 33 37 O 0.12594663455333 0.97366399629581 0.12500000000000 15.999 > 37 38 O 0.62594663455333 0.97366399629581 0.12500000000000 15.999 > 37 39 O 0.12594663455333 0.97366399629581 0.62500000000000 15.999 > 37 40 O 0.62594663455333 0.97366399629581 0.62500000000000 15.999 > 37 41 O 0.25000000000000 0.74362263686104 0.01804291582687 15.999 > 41 42 O 0.75000000000000 0.74362263686104 0.01804291582687 15.999 > 41 43 O 0.25000000000000 0.74362263686104 0.51804291582687 15.999 > 41 44 O 0.75000000000000 0.74362263686104 0.51804291582687 15.999 > 41 45 O 0.25000000000000 0.74362263686104 0.23195708417313 15.999 > 45 46 O 0.75000000000000 0.74362263686104 0.23195708417313 15.999 > 45 47 O 0.25000000000000 0.74362263686104 0.73195708417313 15.999 > 45 48 O 0.75000000000000 0.74362263686104 0.73195708417313 15.999 > 45 49 O 0.25000000000000 0.25637736313896 0.26804291582687 15.999 > 49 50 O 0.75000000000000 0.25637736313896 0.26804291582687 15.999 > 49 51 O 0.25000000000000 0.25637736313896 0.76804291582687 15.999 > 49 52 O 0.75000000000000 0.25637736313896 0.76804291582687 15.999 > 49 53 O 0.25000000000000 0.25637736313896 0.48195708417313 15.999 > 53 54 O 0.75000000000000 0.25637736313896 0.48195708417313 15.999 > 53 55 O 0.25000000000000 0.25637736313896 0.98195708417313 15.999 > 53 56 O 0.75000000000000 0.25637736313896 0.98195708417313 15.999 > 53 57 O 0.37405336544667 0.97366399629581 0.12500000000000 15.999 > 57 58 O 0.87405336544667 0.97366399629581 0.12500000000000 15.999 > 57 59 O 0.37405336544667 0.97366399629581 0.62500000000000 15.999 > 57 60 O 0.87405336544667 0.97366399629581 0.62500000000000 15.999 > 57 61 O 0.37405336544667 0.02633600370419 0.37500000000000 15.999 > 61 62 O 0.87405336544667 0.02633600370419 0.37500000000000 15.999 > 61 63 O 0.37405336544667 0.02633600370419 0.87500000000000 15.999 > 61 64 O 0.87405336544667 0.02633600370419 0.87500000000000 15.999 > 61 65 O 0.37594663455333 0.52633600370419 0.37500000000000 15.999 > 33 66 O 0.87594663455333 0.52633600370419 0.37500000000000 15.999 > 33 67 O 0.37594663455333 0.52633600370419 0.87500000000000 15.999 > 33 68 O 0.87594663455333 0.52633600370419 0.87500000000000 15.999 > 33 69 O 0.37594663455333 0.47366399629581 0.12500000000000 15.999 > 37 70 O 0.87594663455333 0.47366399629581 0.12500000000000 15.999 > 37 71 O 0.37594663455333 0.47366399629581 0.62500000000000 15.999 > 37 72 O 0.87594663455333 0.47366399629581 0.62500000000000 15.999 > 37 73 O 0.00000000000000 0.24362263686104 0.01804291582687 15.999 > 41 74 O 0.50000000000000 0.24362263686104 0.01804291582687 15.999 > 41 75 O 0.00000000000000 0.24362263686104 0.51804291582687 15.999 > 41 76 O 0.50000000000000 0.24362263686104 0.51804291582687 15.999 > 41 77 O 0.00000000000000 0.24362263686104 0.23195708417313 15.999 > 45 78 O 0.50000000000000 0.24362263686104 0.23195708417313 15.999 > 45 79 O 0.00000000000000 0.24362263686104 0.73195708417313 15.999 > 45 80 O 0.50000000000000 0.24362263686104 0.73195708417313 15.999 > 45 81 O 0.00000000000000 0.75637736313896 0.26804291582687 15.999 > 49 82 O 0.50000000000000 0.75637736313896 0.26804291582687 15.999 > 49 83 O 0.00000000000000 0.75637736313896 0.76804291582687 15.999 > 49 84 O 0.50000000000000 0.75637736313896 0.76804291582687 15.999 > 49 85 O 0.00000000000000 0.75637736313896 0.48195708417313 15.999 > 53 86 O 0.50000000000000 0.75637736313896 0.48195708417313 15.999 > 53 87 O 0.00000000000000 0.75637736313896 0.98195708417313 15.999 > 53 88 O 0.50000000000000 0.75637736313896 0.98195708417313 15.999 > 53 89 O 0.12405336544667 0.47366399629581 0.12500000000000 15.999 > 57 90 O 0.62405336544667 0.47366399629581 0.12500000000000 15.999 > 57 91 O 0.12405336544667 0.47366399629581 0.62500000000000 15.999 > 57 92 O 0.62405336544667 0.47366399629581 0.62500000000000 15.999 > 57 93 O 0.12405336544667 0.52633600370419 0.37500000000000 15.999 > 61 94 O 0.62405336544667 0.52633600370419 0.37500000000000 15.999 > 61 95 O 0.12405336544667 0.52633600370419 0.87500000000000 15.999 > 61 96 O 0.62405336544667 0.52633600370419 0.87500000000000 15.999 > 61----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.9717295 0.0000000 0.0000000 0.0000000 3.7426726 0.0000000 0.0000000 0.0000000 3.5802266-------------------------- Born effective charges -------------------------- 1 Zn 2.7365725 0.0000000 0.0000000 0.0000000 2.6378535 -0.6253066 0.0000000 0.4769584 2.4746593 2 Zn 2.7365725 0.0000000 0.0000000 0.0000000 2.6378535 0.6253066 0.0000000 -0.4769584 2.4746593 3 Se 3.9204131 0.0000000 0.0000000 0.0000000 3.5363967 0.0000000 0.0000000 0.0000000 3.1665709 4 Se 3.9204131 0.0000000 0.0000000 0.0000000 3.5363967 0.0000000 0.0000000 0.0000000 3.1665709 5 O -2.4180280 -0.8160108 0.0000000 -0.7305749 -1.3139696 0.0000000 0.0000000 0.0000000 -1.3565215 6 O -2.4180280 0.8160108 0.0000000 0.7305749 -1.3139696 0.0000000 0.0000000 0.0000000 -1.3565215 7 O -0.9104648 0.0000000 0.0000000 0.0000000 -1.7731555 -0.5493576 0.0000000 -0.5750849 -1.4640936 8 O -0.9104648 0.0000000 0.0000000 0.0000000 -1.7731555 0.5493576 0.0000000 0.5750849 -1.4640936 9 O -0.9104648 0.0000000 0.0000000 0.0000000 -1.7731555 0.5493576 0.0000000 0.5750849 -1.4640936 10 O -0.9104648 0.0000000 0.0000000 0.0000000 -1.7731555 -0.5493576 0.0000000 -0.5750849 -1.4640936 11 O -2.4180280 -0.8160108 0.0000000 -0.7305749 -1.3139696 0.0000000 0.0000000 0.0000000 -1.3565215 12 O -2.4180280 0.8160108 0.0000000 0.7305749 -1.3139696 0.0000000 0.0000000 0.0000000 -1.3565215----------------------------------------------------------------------------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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000009 (zyz) -0.00000009 (zyz) -0.00000009 (zzy)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 23:24:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 23:24:54]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 1 2]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: Cmcm (63)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.741899985000000 -4.089120640000000 0.000000000000000 b 2.741899985000000 4.089120640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.539954270000002Atomic positions (fractional): 1 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 2 Zn 0.00000000000000 0.00000000000000 0.50000000000000 65.380 3 Se 0.64961099519373 0.35038900480627 0.25000000000000 78.960 4 Se 0.35038900480627 0.64961099519373 0.75000000000000 78.960 5 O 0.22555726540247 0.27822927281086 0.75000000000000 15.999 6 O 0.27822927281086 0.22555726540247 0.25000000000000 15.999 7 O 0.75637736313896 0.24362263686104 0.03608583165375 15.999 8 O 0.75637736313896 0.24362263686104 0.46391416834625 15.999 9 O 0.24362263686104 0.75637736313896 0.53608583165375 15.999 10 O 0.24362263686104 0.75637736313896 0.96391416834625 15.999 11 O 0.77444273459753 0.72177072718914 0.25000000000000 15.999 12 O 0.72177072718914 0.77444273459753 0.75000000000000 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 10.967599939999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.178241280000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.079908540000003Atomic positions (fractional): 1 Zn 0.00000000000000 0.00000000000000 0.00000000000000 65.380 > 1 2 Zn 0.50000000000000 0.00000000000000 0.00000000000000 65.380 > 1 3 Zn 0.00000000000000 0.00000000000000 0.50000000000000 65.380 > 1 4 Zn 0.50000000000000 0.00000000000000 0.50000000000000 65.380 > 1 5 Zn 0.00000000000000 0.00000000000000 0.25000000000000 65.380 > 5 6 Zn 0.50000000000000 0.00000000000000 0.25000000000000 65.380 > 5 7 Zn 0.00000000000000 0.00000000000000 0.75000000000000 65.380 > 5 8 Zn 0.50000000000000 0.00000000000000 0.75000000000000 65.380 > 5 9 Zn 0.25000000000000 0.50000000000000 0.00000000000000 65.380 > 1 10 Zn 0.75000000000000 0.50000000000000 0.00000000000000 65.380 > 1 11 Zn 0.25000000000000 0.50000000000000 0.50000000000000 65.380 > 1 12 Zn 0.75000000000000 0.50000000000000 0.50000000000000 65.380 > 1 13 Zn 0.25000000000000 0.50000000000000 0.25000000000000 65.380 > 5 14 Zn 0.75000000000000 0.50000000000000 0.25000000000000 65.380 > 5 15 Zn 0.25000000000000 0.50000000000000 0.75000000000000 65.380 > 5 16 Zn 0.75000000000000 0.50000000000000 0.75000000000000 65.380 > 5 17 Se 0.25000000000000 0.85038900480627 0.12500000000000 78.960 > 17 18 Se 0.75000000000000 0.85038900480627 0.12500000000000 78.960 > 17 19 Se 0.25000000000000 0.85038900480627 0.62500000000000 78.960 > 17 20 Se 0.75000000000000 0.85038900480627 0.62500000000000 78.960 > 17 21 Se 0.25000000000000 0.14961099519373 0.37500000000000 78.960 > 21 22 Se 0.75000000000000 0.14961099519373 0.37500000000000 78.960 > 21 23 Se 0.25000000000000 0.14961099519373 0.87500000000000 78.960 > 21 24 Se 0.75000000000000 0.14961099519373 0.87500000000000 78.960 > 21 25 Se 0.00000000000000 0.35038900480627 0.12500000000000 78.960 > 17 26 Se 0.50000000000000 0.35038900480627 0.12500000000000 78.960 > 17 27 Se 0.00000000000000 0.35038900480627 0.62500000000000 78.960 > 17 28 Se 0.50000000000000 0.35038900480627 0.62500000000000 78.960 > 17 29 Se 0.00000000000000 0.64961099519373 0.37500000000000 78.960 > 21 30 Se 0.50000000000000 0.64961099519373 0.37500000000000 78.960 > 21 31 Se 0.00000000000000 0.64961099519373 0.87500000000000 78.960 > 21 32 Se 0.50000000000000 0.64961099519373 0.87500000000000 78.960 > 21 33 O 0.12594663455333 0.02633600370419 0.37500000000000 15.999 > 33 34 O 0.62594663455333 0.02633600370419 0.37500000000000 15.999 > 33 35 O 0.12594663455333 0.02633600370419 0.87500000000000 15.999 > 33 36 O 0.62594663455333 0.02633600370419 0.87500000000000 15.999 > 33 37 O 0.12594663455333 0.97366399629581 0.12500000000000 15.999 > 37 38 O 0.62594663455333 0.97366399629581 0.12500000000000 15.999 > 37 39 O 0.12594663455333 0.97366399629581 0.62500000000000 15.999 > 37 40 O 0.62594663455333 0.97366399629581 0.62500000000000 15.999 > 37 41 O 0.25000000000000 0.74362263686104 0.01804291582687 15.999 > 41 42 O 0.75000000000000 0.74362263686104 0.01804291582687 15.999 > 41 43 O 0.25000000000000 0.74362263686104 0.51804291582687 15.999 > 41 44 O 0.75000000000000 0.74362263686104 0.51804291582687 15.999 > 41 45 O 0.25000000000000 0.74362263686104 0.23195708417313 15.999 > 45 46 O 0.75000000000000 0.74362263686104 0.23195708417313 15.999 > 45 47 O 0.25000000000000 0.74362263686104 0.73195708417313 15.999 > 45 48 O 0.75000000000000 0.74362263686104 0.73195708417313 15.999 > 45 49 O 0.25000000000000 0.25637736313896 0.26804291582687 15.999 > 49 50 O 0.75000000000000 0.25637736313896 0.26804291582687 15.999 > 49 51 O 0.25000000000000 0.25637736313896 0.76804291582687 15.999 > 49 52 O 0.75000000000000 0.25637736313896 0.76804291582687 15.999 > 49 53 O 0.25000000000000 0.25637736313896 0.48195708417313 15.999 > 53 54 O 0.75000000000000 0.25637736313896 0.48195708417313 15.999 > 53 55 O 0.25000000000000 0.25637736313896 0.98195708417313 15.999 > 53 56 O 0.75000000000000 0.25637736313896 0.98195708417313 15.999 > 53 57 O 0.37405336544667 0.97366399629581 0.12500000000000 15.999 > 57 58 O 0.87405336544667 0.97366399629581 0.12500000000000 15.999 > 57 59 O 0.37405336544667 0.97366399629581 0.62500000000000 15.999 > 57 60 O 0.87405336544667 0.97366399629581 0.62500000000000 15.999 > 57 61 O 0.37405336544667 0.02633600370419 0.37500000000000 15.999 > 61 62 O 0.87405336544667 0.02633600370419 0.37500000000000 15.999 > 61 63 O 0.37405336544667 0.02633600370419 0.87500000000000 15.999 > 61 64 O 0.87405336544667 0.02633600370419 0.87500000000000 15.999 > 61 65 O 0.37594663455333 0.52633600370419 0.37500000000000 15.999 > 33 66 O 0.87594663455333 0.52633600370419 0.37500000000000 15.999 > 33 67 O 0.37594663455333 0.52633600370419 0.87500000000000 15.999 > 33 68 O 0.87594663455333 0.52633600370419 0.87500000000000 15.999 > 33 69 O 0.37594663455333 0.47366399629581 0.12500000000000 15.999 > 37 70 O 0.87594663455333 0.47366399629581 0.12500000000000 15.999 > 37 71 O 0.37594663455333 0.47366399629581 0.62500000000000 15.999 > 37 72 O 0.87594663455333 0.47366399629581 0.62500000000000 15.999 > 37 73 O 0.00000000000000 0.24362263686104 0.01804291582687 15.999 > 41 74 O 0.50000000000000 0.24362263686104 0.01804291582687 15.999 > 41 75 O 0.00000000000000 0.24362263686104 0.51804291582687 15.999 > 41 76 O 0.50000000000000 0.24362263686104 0.51804291582687 15.999 > 41 77 O 0.00000000000000 0.24362263686104 0.23195708417313 15.999 > 45 78 O 0.50000000000000 0.24362263686104 0.23195708417313 15.999 > 45 79 O 0.00000000000000 0.24362263686104 0.73195708417313 15.999 > 45 80 O 0.50000000000000 0.24362263686104 0.73195708417313 15.999 > 45 81 O 0.00000000000000 0.75637736313896 0.26804291582687 15.999 > 49 82 O 0.50000000000000 0.75637736313896 0.26804291582687 15.999 > 49 83 O 0.00000000000000 0.75637736313896 0.76804291582687 15.999 > 49 84 O 0.50000000000000 0.75637736313896 0.76804291582687 15.999 > 49 85 O 0.00000000000000 0.75637736313896 0.48195708417313 15.999 > 53 86 O 0.50000000000000 0.75637736313896 0.48195708417313 15.999 > 53 87 O 0.00000000000000 0.75637736313896 0.98195708417313 15.999 > 53 88 O 0.50000000000000 0.75637736313896 0.98195708417313 15.999 > 53 89 O 0.12405336544667 0.47366399629581 0.12500000000000 15.999 > 57 90 O 0.62405336544667 0.47366399629581 0.12500000000000 15.999 > 57 91 O 0.12405336544667 0.47366399629581 0.62500000000000 15.999 > 57 92 O 0.62405336544667 0.47366399629581 0.62500000000000 15.999 > 57 93 O 0.12405336544667 0.52633600370419 0.37500000000000 15.999 > 61 94 O 0.62405336544667 0.52633600370419 0.37500000000000 15.999 > 61 95 O 0.12405336544667 0.52633600370419 0.87500000000000 15.999 > 61 96 O 0.62405336544667 0.52633600370419 0.87500000000000 15.999 > 61----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 3.9717295 0.0000000 0.0000000 0.0000000 3.7426726 0.0000000 0.0000000 0.0000000 3.5802266-------------------------- Born effective charges -------------------------- 1 Zn 2.7365725 0.0000000 0.0000000 0.0000000 2.6378535 -0.6253066 0.0000000 0.4769584 2.4746593 2 Zn 2.7365725 0.0000000 0.0000000 0.0000000 2.6378535 0.6253066 0.0000000 -0.4769584 2.4746593 3 Se 3.9204131 0.0000000 0.0000000 0.0000000 3.5363967 0.0000000 0.0000000 0.0000000 3.1665709 4 Se 3.9204131 0.0000000 0.0000000 0.0000000 3.5363967 0.0000000 0.0000000 0.0000000 3.1665709 5 O -2.4180280 -0.8160108 0.0000000 -0.7305749 -1.3139696 0.0000000 0.0000000 0.0000000 -1.3565215 6 O -2.4180280 0.8160108 0.0000000 0.7305749 -1.3139696 0.0000000 0.0000000 0.0000000 -1.3565215 7 O -0.9104648 0.0000000 0.0000000 0.0000000 -1.7731555 -0.5493576 0.0000000 -0.5750849 -1.4640936 8 O -0.9104648 0.0000000 0.0000000 0.0000000 -1.7731555 0.5493576 0.0000000 0.5750849 -1.4640936 9 O -0.9104648 0.0000000 0.0000000 0.0000000 -1.7731555 0.5493576 0.0000000 0.5750849 -1.4640936 10 O -0.9104648 0.0000000 0.0000000 0.0000000 -1.7731555 -0.5493576 0.0000000 -0.5750849 -1.4640936 11 O -2.4180280 -0.8160108 0.0000000 -0.7305749 -1.3139696 0.0000000 0.0000000 0.0000000 -1.3565215 12 O -2.4180280 0.8160108 0.0000000 0.7305749 -1.3139696 0.0000000 0.0000000 0.0000000 -1.3565215----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000009 (zyz) -0.00000009 (zyz) -0.00000009 (zzy)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 ... [ 11 11 8 ]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: 0.79, Number of G-points: 301, Lambda: 0.16Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/180) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.614 ( 0.000 0.000 0.000) 0.000 3.284 ( 0.000 0.000 0.000) 0.000 3.459 ( 0.000 0.000 0.000) 0.000 3.828 ( 0.000 0.000 0.000) 0.000 3.971 ( 0.000 0.000 0.000) 0.000 4.276 ( 0.000 0.000 0.000) 0.000 4.817 ( 0.000 0.000 0.000) 0.000 5.093 ( 0.000 0.000 0.000) 0.000 5.388 ( 0.000 0.000 0.000) 0.000 5.452 ( 0.000 0.000 0.000) 0.000 5.683 ( 0.000 0.000 0.000) 0.000 7.393 ( 0.000 0.000 0.000) 0.000 7.474 ( 0.000 0.000 0.000) 0.000 9.501 ( 0.000 0.000 0.000) 0.000 9.516 ( 0.000 0.000 0.000) 0.000 9.680 ( 0.000 0.000 0.000) 0.000 10.031 ( 0.000 0.000 0.000) 0.000 10.551 ( 0.000 0.000 0.000) 0.000 10.808 ( 0.000 0.000 0.000) 0.000 10.944 ( 0.000 0.000 0.000) 0.000 11.242 ( 0.000 0.000 0.000) 0.000 11.707 ( 0.000 0.000 0.000) 0.000 11.855 ( 0.000 0.000 0.000) 0.000 13.492 ( 0.000 0.000 0.000) 0.000 14.147 ( 0.000 0.000 0.000) 0.000 21.264 ( 0.000 0.000 0.000) 0.000 21.745 ( 0.000 0.000 0.000) 0.000 22.586 ( 0.000 0.000 0.000) 0.000 22.940 ( 0.000 0.000 0.000) 0.000 25.035 ( 0.000 0.000 0.000) 0.000 25.436 ( 0.000 0.000 0.000) 0.000 25.985 ( 0.000 0.000 0.000) 0.000 26.629 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/180) =======================q-point: ( 0.09 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.559 ( 20.461 -19.523 0.000) 28.281 0.670 ( 17.104 -33.814 0.000) 37.894 1.084 ( 55.088 -14.690 0.000) 57.013 2.618 ( 0.072 -0.294 0.000) 0.303 3.455 ( -1.349 -1.788 0.000) 2.240 3.796 ( -4.324 -0.213 0.000) 4.330 3.952 ( -1.097 1.419 0.000) 1.794 4.106 ( 24.069 23.927 0.000) 33.938 4.389 ( 10.138 -1.601 0.000) 10.264 4.826 ( 4.277 5.748 0.000) 7.165 5.172 ( 11.883 4.057 0.000) 12.557 5.364 ( -3.045 -3.791 0.000) 4.863 5.692 ( 10.346 7.555 0.000) 12.811 6.802 ( 29.215 45.074 0.000) 53.714 7.484 ( 0.358 -1.090 0.000) 1.147 7.619 ( -8.478 -4.045 0.000) 9.394 9.222 ( -9.192 20.755 0.000) 22.699 9.602 ( -7.390 -12.522 0.000) 14.540 9.669 ( -2.451 -2.006 0.000) 3.167 10.270 ( 14.396 16.715 0.000) 22.060 10.541 ( 2.220 4.674 0.000) 5.175 10.793 ( -5.484 0.413 0.000) 5.499 10.933 ( -1.708 -0.662 0.000) 1.832 11.308 ( 4.433 -3.650 0.000) 5.742 11.677 ( -2.992 0.475 0.000) 3.029 12.386 ( -33.764 -55.606 0.000) 65.054 13.417 ( 0.110 11.853 0.000) 11.853 14.225 ( 0.049 -12.208 0.000) 12.208 21.333 ( 7.491 -0.731 0.000) 7.526 22.571 ( -0.941 1.130 0.000) 1.471 22.737 ( 24.987 33.316 0.000) 41.645 23.943 ( 34.132 57.554 0.000) 66.914 25.095 ( 5.345 -2.064 0.000) 5.730 25.989 ( 0.774 0.444 0.000) 0.892 26.273 ( -40.208 -60.434 0.000) 72.588 26.606 ( -2.230 0.717 0.000) 2.342======================= Grid point 2 (3/180) =======================q-point: ( 0.18 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.109 ( 20.359 -18.276 0.000) 27.359 1.308 ( 16.813 -29.966 0.000) 34.360 2.141 ( 52.213 -14.825 0.000) 54.277 2.613 ( -1.481 -0.646 0.000) 1.616 3.468 ( 0.168 -2.798 0.000) 2.803 3.683 ( -8.952 0.516 0.000) 8.967 3.913 ( -1.148 2.093 0.000) 2.387 4.289 ( 17.766 7.919 0.000) 19.451 4.530 ( 1.755 -1.833 0.000) 2.538 4.805 ( 6.251 13.687 0.000) 15.047 5.383 ( 20.311 6.703 0.000) 21.388 5.459 ( 8.370 -6.370 0.000) 10.519 5.810 ( 12.655 3.933 0.000) 13.252 6.785 ( 9.885 16.308 0.000) 19.070 7.481 ( -7.855 4.358 0.000) 8.983 7.496 ( -1.352 -1.545 0.000) 2.053 8.772 ( -14.842 22.368 0.000) 26.845 9.572 ( -10.138 -9.392 0.000) 13.819 9.654 ( -3.354 -4.475 0.000) 5.592 10.336 ( 8.086 5.667 0.000) 9.875 10.531 ( 3.894 5.993 0.000) 7.148 10.661 ( -7.385 3.432 0.000) 8.144 10.904 ( -3.029 -1.383 0.000) 3.330 11.428 ( 4.464 -3.092 0.000) 5.430 11.613 ( -3.506 0.706 0.000) 3.576 12.453 ( -13.759 -26.755 0.000) 30.085 13.273 ( 0.167 13.366 0.000) 13.367 14.381 ( 0.169 -14.342 0.000) 14.343 21.510 ( 12.287 -0.682 0.000) 12.306 22.536 ( -2.499 -0.240 0.000) 2.510 22.793 ( 12.637 12.931 0.000) 18.081 23.852 ( 12.516 27.622 0.000) 30.325 25.236 ( 7.239 -3.528 0.000) 8.053 26.002 ( 1.637 0.750 0.000) 1.801 26.280 ( -18.229 -28.084 0.000) 33.481 26.542 ( -4.076 1.198 0.000) 4.248======================= Grid point 3 (4/180) =======================q-point: ( 0.27 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.634 ( 19.789 -15.743 0.000) 25.287 1.884 ( 15.775 -24.594 0.000) 29.218 2.584 ( -3.043 -1.198 0.000) 3.270 3.119 ( 46.032 -12.858 0.000) 47.794 3.487 ( -9.103 0.886 0.000) 9.146 3.533 ( -0.553 -2.617 0.000) 2.675 3.867 ( -1.302 2.719 0.000) 3.015 4.392 ( -3.574 0.564 0.000) 3.618 4.504 ( -4.057 0.967 0.000) 4.170 4.808 ( 18.044 15.752 0.000) 23.952 5.680 ( 24.661 7.528 0.000) 25.784 5.686 ( 5.948 -8.434 0.000) 10.321 6.084 ( 24.382 1.723 0.000) 24.443 6.754 ( 1.507 7.422 0.000) 7.573 7.272 ( -8.164 8.569 0.000) 11.835 7.440 ( -7.922 0.063 0.000) 7.922 8.290 ( -13.357 18.970 0.000) 23.200 9.498 ( -9.257 -6.980 0.000) 11.594 9.664 ( -3.149 -7.170 0.000) 7.831 10.378 ( -0.856 1.951 0.000) 2.131 10.504 ( -2.382 5.768 0.000) 6.240 10.537 ( 4.222 5.181 0.000) 6.684 10.870 ( -3.080 -1.937 0.000) 3.638 11.508 ( 2.431 -0.829 0.000) 2.569 11.555 ( -2.432 0.527 0.000) 2.488 12.514 ( -7.450 -15.666 0.000) 17.348 13.142 ( 0.128 10.247 0.000) 10.248 14.533 ( 0.290 -11.813 0.000) 11.817 21.730 ( 13.110 0.175 0.000) 13.111 22.496 ( -3.404 -1.442 0.000) 3.697 22.864 ( 8.016 5.321 0.000) 9.621 23.755 ( 5.707 16.825 0.000) 17.767 25.394 ( 6.398 -3.858 0.000) 7.472 26.029 ( 2.618 0.809 0.000) 2.740 26.292 ( -9.958 -15.982 0.000) 18.831 26.450 ( -5.256 1.304 0.000) 5.415======================= Grid point 4 (5/180) =======================q-point: ( 0.36 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.091 ( 16.448 -10.288 0.000) 19.401 2.364 ( 12.994 -17.815 0.000) 22.050 2.562 ( -0.928 -2.898 0.000) 3.043 3.272 ( -13.281 0.934 0.000) 13.313 3.594 ( 2.404 -1.595 0.000) 2.884 3.812 ( -1.253 2.968 0.000) 3.222 3.870 ( 26.894 -4.614 0.000) 27.287 4.255 ( -7.730 2.874 0.000) 8.247 4.411 ( 1.165 1.962 0.000) 2.282 5.028 ( 18.483 2.787 0.000) 18.692 5.830 ( -0.601 -8.632 0.000) 8.652 6.022 ( 25.658 6.288 0.000) 26.418 6.489 ( 22.632 0.175 0.000) 22.633 6.647 ( -4.720 6.636 0.000) 8.143 7.052 ( -5.456 8.949 0.000) 10.481 7.194 ( -18.451 4.145 0.000) 18.910 7.972 ( -5.575 9.389 0.000) 10.920 9.432 ( -6.124 -4.540 0.000) 7.623 9.706 ( -2.559 -8.631 0.000) 9.003 10.231 ( -7.857 5.237 0.000) 9.443 10.497 ( 3.324 2.546 0.000) 4.187 10.553 ( 3.325 3.294 0.000) 4.681 10.849 ( -1.952 -1.810 0.000) 2.662 11.523 ( -1.077 0.183 0.000) 1.092 11.532 ( 0.681 0.641 0.000) 0.935 12.553 ( -4.107 -8.542 0.000) 9.479 13.052 ( 0.023 6.038 0.000) 6.038 14.647 ( 0.291 -7.537 0.000) 7.542 21.919 ( 10.025 0.984 0.000) 10.073 22.459 ( -3.053 -1.694 0.000) 3.491 22.935 ( 4.708 1.201 0.000) 4.859 23.672 ( 2.557 10.077 0.000) 10.397 25.522 ( 4.194 -2.955 0.000) 5.131 26.072 ( 3.593 0.577 0.000) 3.639 26.304 ( -5.105 -8.584 0.000) 9.987 26.345 ( -5.597 1.030 0.000) 5.691======================= Grid point 5 (6/180) =======================q-point: ( 0.45 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.324 ( 3.541 -1.498 0.000) 3.845 2.673 ( 5.794 -7.349 0.000) 9.358 2.687 ( 9.218 -5.418 0.000) 10.693 3.038 ( -12.042 1.840 0.000) 12.182 3.630 ( 0.876 -0.037 0.000) 0.877 3.772 ( -0.451 1.196 0.000) 1.278 4.005 ( -1.067 2.805 0.000) 3.001 4.129 ( -2.996 1.743 0.000) 3.466 4.591 ( 10.501 -0.576 0.000) 10.517 5.344 ( 15.813 -5.826 0.000) 16.852 5.791 ( -10.598 -0.383 0.000) 10.605 6.385 ( 23.653 2.650 0.000) 23.801 6.522 ( -1.596 2.942 0.000) 3.347 6.750 ( 7.157 -0.054 0.000) 7.158 6.804 ( -21.949 2.418 0.000) 22.081 6.923 ( -0.471 4.089 0.000) 4.117 7.859 ( -1.353 2.372 0.000) 2.731 9.398 ( -2.089 -1.604 0.000) 2.633 9.760 ( -1.020 -5.366 0.000) 5.462 10.073 ( -3.407 4.067 0.000) 5.306 10.516 ( 1.100 0.796 0.000) 1.358 10.568 ( 1.293 1.090 0.000) 1.691 10.843 ( -0.584 -0.746 0.000) 0.948 11.512 ( -0.240 0.012 0.000) 0.240 11.529 ( 0.032 0.481 0.000) 0.482 12.570 ( -1.355 -2.734 0.000) 3.051 13.008 ( -0.015 1.960 0.000) 1.960 14.707 ( 0.123 -2.574 0.000) 2.577 22.027 ( 3.798 0.627 0.000) 3.850 22.436 ( -1.272 -0.788 0.000) 1.497 22.984 ( 1.591 -0.133 0.000) 1.597 23.622 ( 0.703 3.559 0.000) 3.628 25.592 ( 1.442 -1.105 0.000) 1.817 26.131 ( 3.538 0.136 0.000) 3.540 26.250 ( -4.282 0.462 0.000) 4.307 26.312 ( -1.572 -2.731 0.000) 3.151======================= Grid point 12 (7/180) =======================q-point: ( 0.09 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.873 ( 27.929 -0.000 0.000) 27.929 0.874 ( 26.448 -0.000 0.000) 26.448 1.974 ( 56.664 -0.000 0.000) 56.664 2.606 ( -1.564 0.000 0.000) 1.564 3.436 ( 0.659 -0.000 0.000) 0.659 3.689 ( -8.506 0.000 0.000) 8.506 3.937 ( -1.471 0.000 0.000) 1.471 4.363 ( 6.867 -0.000 0.000) 6.867 4.505 ( 1.487 -0.000 0.000) 1.487 5.050 ( 13.497 -0.000 0.000) 13.497 5.366 ( 7.129 -0.000 0.000) 7.129 5.461 ( 19.666 -0.000 0.000) 19.666 5.868 ( 9.862 -0.000 0.000) 9.862 7.245 ( -10.990 0.000 0.000) 10.990 7.330 ( -3.025 0.000 0.000) 3.025 7.476 ( -1.047 0.000 0.000) 1.047 9.191 ( -17.180 0.000 0.000) 17.180 9.292 ( -11.131 0.000 0.000) 11.131 9.637 ( -2.213 0.000 0.000) 2.213 10.507 ( 2.233 -0.000 0.000) 2.233 10.604 ( 2.371 -0.000 0.000) 2.371 10.640 ( -9.112 0.000 0.000) 9.112 10.884 ( -3.622 0.000 0.000) 3.622 11.390 ( 6.725 -0.000 0.000) 6.725 11.769 ( 3.790 -0.000 0.000) 3.790 11.852 ( -0.046 0.000 0.000) 0.046 13.499 ( 0.515 -0.000 0.000) 0.515 14.151 ( 0.380 -0.000 0.000) 0.380 21.503 ( 13.061 -0.000 0.000) 13.061 22.495 ( -5.152 0.000 0.000) 5.152 22.991 ( 2.478 -0.000 0.000) 2.478 24.546 ( -10.090 0.000 0.000) 10.090 25.412 ( 13.911 -0.000 0.000) 13.911 25.424 ( -0.548 0.000 0.000) 0.548 26.011 ( 1.537 -0.000 0.000) 1.537 26.556 ( -4.222 0.000 0.000) 4.222======================= Grid point 13 (8/180) =======================q-point: ( 0.18 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.356 ( 25.491 -7.453 0.000) 26.558 1.426 ( 26.850 -13.269 0.000) 29.950 2.565 ( -3.407 -0.419 0.000) 3.433 2.903 ( 50.871 -5.399 0.000) 51.156 3.478 ( 3.248 -0.934 0.000) 3.380 3.516 ( -11.585 0.341 0.000) 11.590 3.907 ( -1.507 0.917 0.000) 1.764 4.408 ( -6.740 1.575 0.000) 6.921 4.479 ( 1.756 -1.819 0.000) 2.528 5.210 ( 14.975 13.504 0.000) 20.165 5.525 ( 4.797 -5.269 0.000) 7.125 5.805 ( 23.403 3.128 0.000) 23.611 6.113 ( 21.052 0.774 0.000) 21.067 6.963 ( -7.445 10.388 0.000) 12.781 7.317 ( -7.354 -4.213 0.000) 8.475 7.428 ( -6.103 -0.579 0.000) 6.130 8.730 ( -18.032 19.004 0.000) 26.197 9.222 ( -13.271 -15.655 0.000) 20.523 9.596 ( -1.997 0.193 0.000) 2.007 10.444 ( -5.526 3.692 0.000) 6.646 10.563 ( -1.257 -0.903 0.000) 1.548 10.625 ( 1.849 2.289 0.000) 2.943 10.823 ( -4.510 -1.696 0.000) 4.819 11.497 ( 5.328 -0.278 0.000) 5.335 11.682 ( 3.031 11.965 0.000) 12.343 12.077 ( -0.188 -21.536 0.000) 21.537 13.434 ( 1.180 12.280 0.000) 12.337 14.237 ( 0.782 -11.831 0.000) 11.857 21.741 ( 15.064 0.493 0.000) 15.072 22.414 ( -6.431 -2.979 0.000) 7.088 23.005 ( 2.741 4.044 0.000) 4.886 24.251 ( -3.402 21.683 0.000) 21.948 25.370 ( 6.119 3.453 0.000) 7.026 25.816 ( 2.190 -23.579 0.000) 23.681 26.041 ( 2.354 0.297 0.000) 2.372 26.470 ( -5.648 0.496 0.000) 5.670======================= Grid point 14 (9/180) =======================q-point: ( 0.27 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.860 ( 23.641 -8.988 0.000) 25.292 2.004 ( 24.249 -13.189 0.000) 27.604 2.515 ( -3.248 -1.282 0.000) 3.492 3.293 ( -13.639 0.828 0.000) 13.664 3.563 ( 4.534 -1.065 0.000) 4.657 3.742 ( 40.254 -5.842 0.000) 40.675 3.867 ( -1.563 1.738 0.000) 2.337 4.247 ( -9.351 -1.003 0.000) 9.404 4.486 ( -1.018 3.465 0.000) 3.611 5.266 ( 11.117 14.312 0.000) 18.123 5.624 ( -1.052 -8.651 0.000) 8.715 6.153 ( 23.628 4.815 0.000) 24.114 6.484 ( 20.933 -0.541 0.000) 20.940 6.767 ( -7.277 4.314 0.000) 8.460 7.199 ( -6.880 3.223 0.000) 7.597 7.250 ( -16.047 1.053 0.000) 16.082 8.256 ( -13.995 15.549 0.000) 20.920 9.192 ( -10.835 -15.318 0.000) 18.763 9.582 ( -0.725 -2.129 0.000) 2.250 10.298 ( -8.160 0.975 0.000) 8.218 10.567 ( 2.205 2.964 0.000) 3.694 10.619 ( 0.578 2.346 0.000) 2.416 10.784 ( -3.436 -3.629 0.000) 4.997 11.561 ( 3.041 1.289 0.000) 3.303 11.620 ( 3.478 8.959 0.000) 9.610 12.281 ( 0.223 -15.297 0.000) 15.299 13.304 ( 2.024 14.848 0.000) 14.986 14.399 ( 0.927 -13.586 0.000) 13.618 21.960 ( 12.170 2.361 0.000) 12.397 22.359 ( -5.430 -5.512 0.000) 7.738 23.000 ( 1.547 3.097 0.000) 3.462 23.997 ( -1.460 17.144 0.000) 17.207 25.456 ( 3.908 -2.618 0.000) 4.704 26.053 ( 2.807 -12.849 0.000) 13.152 26.083 ( 3.192 0.371 0.000) 3.214 26.364 ( -6.289 0.599 0.000) 6.318======================= Grid point 15 (10/180) =======================q-point: ( 0.36 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.277 ( 13.528 -3.134 0.000) 13.886 2.494 ( 19.717 -7.821 0.000) 21.212 2.540 ( 5.741 -6.158 0.000) 8.420 3.058 ( -13.318 0.391 0.000) 13.324 3.637 ( 3.472 0.313 0.000) 3.486 3.818 ( -1.513 2.346 0.000) 2.791 4.043 ( -4.062 1.106 0.000) 4.210 4.265 ( 3.588 8.487 0.000) 9.214 4.523 ( 11.968 -5.662 0.000) 13.239 5.304 ( 8.570 3.782 0.000) 9.367 5.685 ( -4.264 -8.478 0.000) 9.490 6.472 ( 20.776 4.500 0.000) 21.258 6.606 ( -6.118 3.919 0.000) 7.266 6.745 ( 8.067 -0.539 0.000) 8.085 6.872 ( -25.176 3.214 0.000) 25.381 7.038 ( -6.366 5.155 0.000) 8.192 7.957 ( -7.363 6.780 0.000) 10.009 9.208 ( -6.943 -13.985 0.000) 15.614 9.629 ( 2.320 -4.462 0.000) 5.029 10.168 ( -4.648 2.770 0.000) 5.411 10.557 ( 0.392 2.702 0.000) 2.730 10.593 ( -1.482 1.039 0.000) 1.810 10.792 ( -0.777 -3.609 0.000) 3.692 11.575 ( 1.716 2.785 0.000) 3.271 11.593 ( 3.900 7.288 0.000) 8.266 12.432 ( 1.682 -9.409 0.000) 9.558 13.186 ( 2.754 13.191 0.000) 13.476 14.552 ( 0.782 -10.881 0.000) 10.909 22.061 ( 3.133 2.438 0.000) 3.970 22.368 ( -0.882 -4.841 0.000) 4.921 22.992 ( 0.131 0.725 0.000) 0.736 23.810 ( -1.804 12.047 0.000) 12.181 25.541 ( 1.959 -3.341 0.000) 3.873 26.137 ( 3.434 0.317 0.000) 3.448 26.213 ( 4.324 -5.746 0.000) 7.192 26.257 ( -5.600 0.165 0.000) 5.603======================= Grid point 16 (11/180) =======================q-point: ( 0.45 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.357 ( 0.491 1.588 0.000) 1.662 2.742 ( -3.029 -0.607 0.000) 3.089 2.787 ( 10.541 2.705 0.000) 10.882 2.954 ( 8.500 -5.381 0.000) 10.060 3.658 ( 0.789 2.358 0.000) 2.486 3.776 ( -0.698 1.392 0.000) 1.557 3.959 ( -4.172 -0.555 0.000) 4.209 4.188 ( 2.073 6.379 0.000) 6.707 4.594 ( -8.990 -0.096 0.000) 8.991 5.422 ( -5.410 -0.504 0.000) 5.433 5.735 ( 10.527 -4.373 0.000) 11.399 6.372 ( -28.257 1.368 0.000) 28.290 6.494 ( -4.296 0.637 0.000) 4.343 6.752 ( -7.653 -0.035 0.000) 7.653 6.778 ( 17.248 0.191 0.000) 17.249 6.890 ( -5.921 1.230 0.000) 6.047 7.837 ( -3.130 0.260 0.000) 3.140 9.269 ( -3.228 -12.006 0.000) 12.432 9.759 ( 6.846 -4.412 0.000) 8.144 10.086 ( -0.615 3.912 0.000) 3.960 10.525 ( -1.152 1.649 0.000) 2.012 10.546 ( -3.996 -0.858 0.000) 4.087 10.827 ( 1.144 -1.867 0.000) 2.190 11.567 ( 1.590 3.284 0.000) 3.649 11.583 ( 3.896 6.202 0.000) 7.324 12.551 ( 3.599 -4.310 0.000) 5.615 13.105 ( 3.134 10.188 0.000) 10.660 14.660 ( 0.474 -6.592 0.000) 6.609 22.031 ( -3.889 0.900 0.000) 3.991 22.404 ( -0.856 -3.143 0.000) 3.257 22.989 ( -0.045 0.110 0.000) 0.119 23.666 ( -2.779 6.834 0.000) 7.378 25.587 ( 0.111 -1.541 0.000) 1.545 26.132 ( -4.163 0.251 0.000) 4.171 26.236 ( 3.363 -0.765 0.000) 3.449 26.332 ( 5.841 -0.745 0.000) 5.889======================= Grid point 17 (12/180) =======================q-point: (-0.45 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.275 ( -7.291 6.089 0.000) 9.500 2.623 ( -3.238 1.761 0.000) 3.686 2.751 ( -1.693 16.084 0.000) 16.173 3.244 ( 15.030 -2.361 0.000) 15.214 3.629 ( -0.775 1.862 0.000) 2.017 3.765 ( 0.056 -0.453 0.000) 0.456 3.910 ( -10.648 -1.800 0.000) 10.799 4.136 ( -8.082 -3.470 0.000) 8.796 4.434 ( 1.183 3.362 0.000) 3.564 5.136 ( -17.371 8.532 0.000) 19.353 5.904 ( -29.182 -3.850 0.000) 29.434 5.965 ( 6.532 2.711 0.000) 7.072 6.458 ( -13.333 -5.069 0.000) 14.264 6.494 ( -11.216 -3.641 0.000) 11.793 6.879 ( 1.302 -5.084 0.000) 5.249 7.084 ( 16.254 -5.037 0.000) 17.017 7.829 ( -0.618 -4.159 0.000) 4.204 9.365 ( 0.059 -9.835 0.000) 9.835 9.891 ( 6.140 4.949 0.000) 7.886 10.101 ( 4.714 -4.177 0.000) 6.298 10.482 ( -2.040 1.543 0.000) 2.558 10.482 ( -6.101 -2.951 0.000) 6.777 10.867 ( 2.370 0.019 0.000) 2.370 11.559 ( 1.733 3.065 0.000) 3.521 11.584 ( 3.975 5.227 0.000) 6.567 12.650 ( 5.724 0.277 0.000) 5.730 13.062 ( 2.981 6.676 0.000) 7.311 14.712 ( 0.193 -1.727 0.000) 1.738 21.919 ( -8.282 0.948 0.000) 8.336 22.406 ( -4.301 -5.244 0.000) 6.782 22.975 ( 0.255 3.413 0.000) 3.423 23.570 ( -3.723 0.622 0.000) 3.774 25.574 ( -1.742 1.516 0.000) 2.309 26.060 ( -4.252 -0.509 0.000) 4.282 26.320 ( 4.830 -1.198 0.000) 4.976 26.429 ( 7.631 3.019 0.000) 8.207======================= Grid point 18 (13/180) =======================q-point: (-0.36 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.980 ( -13.121 14.085 0.000) 19.250 2.427 ( -9.699 23.139 0.000) 25.090 2.613 ( 2.172 1.106 0.000) 2.437 3.408 ( -35.795 11.720 0.000) 37.665 3.471 ( 10.738 -0.032 0.000) 10.738 3.600 ( 0.797 2.735 0.000) 2.849 3.794 ( 0.905 -3.234 0.000) 3.358 4.173 ( -7.245 -15.267 0.000) 16.898 4.527 ( 9.906 4.807 0.000) 11.011 4.775 ( -10.644 8.210 0.000) 13.442 5.500 ( -27.207 -7.967 0.000) 28.349 5.871 ( -7.362 7.742 0.000) 10.684 6.038 ( -27.476 -2.372 0.000) 27.578 6.599 ( -0.537 -7.732 0.000) 7.750 7.021 ( 4.285 -11.410 0.000) 12.188 7.393 ( 11.763 -4.918 0.000) 12.750 7.932 ( 3.941 -12.354 0.000) 12.967 9.487 ( 2.940 -7.629 0.000) 8.176 9.868 ( 2.889 9.033 0.000) 9.483 10.300 ( 8.598 -7.617 0.000) 11.487 10.417 ( -7.030 -5.230 0.000) 8.762 10.417 ( -3.562 1.962 0.000) 4.066 10.905 ( 3.092 1.280 0.000) 3.346 11.550 ( 1.136 3.242 0.000) 3.435 11.603 ( 4.635 4.063 0.000) 6.164 12.738 ( 8.372 4.622 0.000) 9.563 13.054 ( 2.250 2.605 0.000) 3.442 14.706 ( 0.064 3.264 0.000) 3.264 21.742 ( -11.231 1.332 0.000) 11.309 22.378 ( -8.826 -9.029 0.000) 12.627 22.917 ( 0.315 7.648 0.000) 7.655 23.527 ( -4.535 -4.898 0.000) 6.675 25.496 ( -3.348 4.734 0.000) 5.798 26.007 ( -3.115 -1.050 0.000) 3.287 26.416 ( 4.655 -1.674 0.000) 4.947 26.525 ( 10.174 5.946 0.000) 11.784======================= Grid point 19 (14/180) =======================q-point: (-0.27 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.564 ( -13.065 20.691 0.000) 24.471 1.932 ( -18.831 23.742 0.000) 30.303 2.605 ( -33.796 25.316 0.000) 42.227 2.633 ( 1.305 1.072 0.000) 1.688 3.543 ( 1.315 3.102 0.000) 3.369 3.672 ( 8.822 0.139 0.000) 8.823 3.851 ( 1.160 -3.262 0.000) 3.462 4.022 ( -28.386 -12.590 0.000) 31.053 4.574 ( 1.799 2.859 0.000) 3.378 4.713 ( 5.744 3.755 0.000) 6.862 5.188 ( -22.210 -10.140 0.000) 24.415 5.600 ( -11.367 4.849 0.000) 12.358 5.737 ( -13.082 -1.587 0.000) 13.178 6.575 ( -10.684 -4.971 0.000) 11.784 7.239 ( 3.543 -14.362 0.000) 14.792 7.527 ( 2.674 0.661 0.000) 2.755 8.266 ( 10.875 -22.557 0.000) 25.042 9.624 ( 4.824 -4.913 0.000) 6.886 9.826 ( 4.090 8.182 0.000) 9.147 10.304 ( -6.017 3.272 0.000) 6.850 10.374 ( -6.493 -7.470 0.000) 9.898 10.525 ( 6.950 -7.882 0.000) 10.509 10.939 ( 2.910 1.736 0.000) 3.389 11.515 ( -0.305 4.676 0.000) 4.686 11.648 ( 5.246 2.850 0.000) 5.970 12.836 ( 12.892 8.523 0.000) 15.455 13.081 ( 1.222 -2.424 0.000) 2.715 14.643 ( 0.062 8.060 0.000) 8.060 21.534 ( -11.387 1.420 0.000) 11.475 22.297 ( -16.322 -12.743 0.000) 20.707 22.827 ( 0.669 9.515 0.000) 9.538 23.516 ( -5.607 -7.495 0.000) 9.360 25.366 ( -4.038 7.139 0.000) 8.202 25.979 ( -1.926 -1.303 0.000) 2.326 26.506 ( 3.705 -1.942 0.000) 4.183 26.644 ( 13.913 7.885 0.000) 15.992======================= Grid point 20 (15/180) =======================q-point: (-0.18 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.108 ( -9.812 26.158 0.000) 27.938 1.258 ( -32.697 19.699 0.000) 38.173 1.806 ( -15.311 42.607 0.000) 45.275 2.631 ( -0.103 0.844 0.000) 0.850 3.527 ( 1.815 4.283 0.000) 4.651 3.642 ( -32.627 -11.896 0.000) 34.728 3.799 ( 5.339 -0.318 0.000) 5.348 3.898 ( 0.537 -2.834 0.000) 2.884 4.454 ( -9.077 4.272 0.000) 10.032 4.797 ( 6.629 1.466 0.000) 6.789 5.005 ( -12.967 -10.323 0.000) 16.574 5.492 ( 3.250 7.088 0.000) 7.797 5.569 ( -10.202 -3.127 0.000) 10.670 6.371 ( -20.051 -5.680 0.000) 20.840 7.440 ( 1.575 -14.154 0.000) 14.242 7.523 ( -0.152 2.046 0.000) 2.051 8.708 ( 8.525 -25.005 0.000) 26.418 9.739 ( 4.353 -0.868 0.000) 4.438 9.828 ( 7.389 8.779 0.000) 11.474 10.142 ( -10.149 1.418 0.000) 10.248 10.376 ( -4.023 -8.983 0.000) 9.842 10.699 ( 4.077 -6.570 0.000) 7.732 10.959 ( 1.696 1.626 0.000) 2.349 11.435 ( -1.448 6.823 0.000) 6.975 11.703 ( 4.077 1.859 0.000) 4.481 13.007 ( 20.569 9.027 0.000) 22.463 13.152 ( 0.370 -8.166 0.000) 8.174 14.531 ( 0.055 12.178 0.000) 12.178 21.354 ( -8.063 0.995 0.000) 8.124 22.086 ( -27.202 -12.570 0.000) 29.966 22.737 ( 0.982 8.803 0.000) 8.857 23.496 ( -6.276 -6.499 0.000) 9.034 25.219 ( -2.978 7.896 0.000) 8.439 25.970 ( -0.879 -1.233 0.000) 1.514 26.577 ( 2.087 -1.861 0.000) 2.796 26.825 ( 17.823 6.657 0.000) 19.025======================= Grid point 21 (16/180) =======================q-point: (-0.09 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.605 ( 0.000 25.919 0.000) 25.919 0.695 ( 0.000 30.369 0.000) 30.369 1.157 ( 0.000 50.803 0.000) 50.803 2.620 ( 0.000 0.571 0.000) 0.571 3.290 ( 0.000 0.562 0.000) 0.562 3.500 ( 0.000 3.499 0.000) 3.499 3.838 ( 0.000 0.808 0.000) 0.808 3.937 ( -0.000 -2.917 0.000) 2.917 4.314 ( 0.000 3.365 0.000) 3.365 4.851 ( 0.000 2.424 0.000) 2.424 5.000 ( -0.000 -8.078 0.000) 8.078 5.416 ( 0.000 1.467 0.000) 1.467 5.504 ( 0.000 5.523 0.000) 5.523 6.167 ( -0.000 -1.766 0.000) 1.766 7.497 ( 0.000 1.904 0.000) 1.904 7.602 ( -0.000 -11.911 0.000) 11.911 9.055 ( -0.000 -23.456 0.000) 23.456 9.759 ( 0.000 5.060 0.000) 5.060 9.818 ( 0.000 11.733 0.000) 11.733 10.005 ( -0.000 -2.280 0.000) 2.280 10.442 ( -0.000 -8.476 0.000) 8.476 10.798 ( -0.000 -4.912 0.000) 4.912 10.957 ( 0.000 1.206 0.000) 1.206 11.336 ( 0.000 7.181 0.000) 7.181 11.723 ( 0.000 1.263 0.000) 1.263 13.253 ( -0.000 -2.051 0.000) 2.051 13.273 ( -0.000 -12.678 0.000) 12.678 14.381 ( 0.000 14.526 0.000) 14.526 21.268 ( 0.000 0.415 0.000) 0.415 21.771 ( 0.000 2.259 0.000) 2.259 22.662 ( 0.000 6.482 0.000) 6.482 23.473 ( -0.000 -2.456 0.000) 2.456 25.111 ( 0.000 6.423 0.000) 6.423 25.975 ( -0.000 -0.904 0.000) 0.904 26.613 ( -0.000 -1.413 0.000) 1.413 27.022 ( -0.000 -1.789 0.000) 1.789======================= Grid point 24 (17/180) =======================q-point: ( 0.18 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.751 ( 26.290 -0.000 0.000) 26.290 1.845 ( 30.249 -0.000 0.000) 30.249 2.501 ( -3.681 0.000 0.000) 3.681 3.303 ( -13.914 0.000 0.000) 13.914 3.550 ( 5.363 -0.000 0.000) 5.363 3.667 ( 43.897 -0.000 0.000) 43.897 3.886 ( -1.572 0.000 0.000) 1.572 4.238 ( -11.234 0.000 0.000) 11.234 4.533 ( 2.775 -0.000 0.000) 2.775 5.471 ( 5.778 -0.000 0.000) 5.778 5.502 ( -2.340 0.000 0.000) 2.340 6.211 ( 23.003 -0.000 0.000) 23.003 6.475 ( 20.096 -0.000 0.000) 20.096 6.824 ( -11.124 0.000 0.000) 11.124 7.218 ( -4.283 0.000 0.000) 4.283 7.258 ( -14.678 0.000 0.000) 14.678 8.531 ( -20.905 0.000 0.000) 20.905 8.916 ( -8.884 0.000 0.000) 8.884 9.574 ( -0.766 0.000 0.000) 0.766 10.300 ( -9.295 0.000 0.000) 9.295 10.605 ( 3.624 -0.000 0.000) 3.624 10.647 ( -0.623 0.000 0.000) 0.623 10.731 ( -4.954 0.000 0.000) 4.954 11.576 ( 3.930 -0.000 0.000) 3.930 11.868 ( 1.303 -0.000 0.000) 1.303 11.959 ( 7.453 -0.000 0.000) 7.453 13.542 ( 2.362 -0.000 0.000) 2.362 14.181 ( 1.386 -0.000 0.000) 1.386 21.996 ( 14.472 -0.000 0.000) 14.472 22.284 ( -6.898 0.000 0.000) 6.898 23.037 ( -0.647 0.000 0.000) 0.647 24.245 ( -8.335 0.000 0.000) 8.335 25.422 ( 0.835 -0.000 0.000) 0.835 25.866 ( 13.155 -0.000 0.000) 13.155 26.088 ( 3.064 -0.000 0.000) 3.064 26.371 ( -6.569 0.000 0.000) 6.569======================= Grid point 25 (18/180) =======================q-point: ( 0.27 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.198 ( 24.280 -2.752 0.000) 24.436 2.364 ( 28.540 -3.269 0.000) 28.727 2.458 ( -1.552 -1.464 0.000) 2.134 3.063 ( -14.504 0.114 0.000) 14.504 3.642 ( 5.275 0.106 0.000) 5.276 3.856 ( -1.469 0.910 0.000) 1.728 4.066 ( -7.334 0.859 0.000) 7.384 4.321 ( 29.229 -3.429 0.000) 29.429 4.518 ( -1.993 5.292 0.000) 5.654 5.429 ( -3.089 4.013 0.000) 5.064 5.492 ( -3.589 -6.016 0.000) 7.006 6.553 ( 19.403 2.177 0.000) 19.525 6.673 ( -5.924 1.893 0.000) 6.219 6.728 ( 8.239 -0.821 0.000) 8.279 6.924 ( -24.907 1.204 0.000) 24.936 7.116 ( -7.428 1.640 0.000) 7.607 8.144 ( -16.396 8.020 0.000) 18.253 8.882 ( -5.581 -11.761 0.000) 13.019 9.583 ( 2.240 -0.298 0.000) 2.260 10.186 ( -4.640 -0.430 0.000) 4.660 10.610 ( -3.311 0.442 0.000) 3.340 10.625 ( -0.479 3.203 0.000) 3.239 10.705 ( 0.679 -3.775 0.000) 3.836 11.622 ( 2.447 1.128 0.000) 2.694 11.814 ( 4.405 11.190 0.000) 12.026 12.180 ( 5.892 -11.822 0.000) 13.209 13.512 ( 3.635 12.661 0.000) 13.172 14.276 ( 1.441 -11.101 0.000) 11.194 22.135 ( 0.684 4.109 0.000) 4.166 22.249 ( 2.645 -5.321 0.000) 5.942 23.007 ( -2.037 0.419 0.000) 2.080 24.062 ( -7.018 7.860 0.000) 10.537 25.464 ( 2.150 -2.680 0.000) 3.436 26.097 ( 11.006 -3.448 0.000) 11.533 26.143 ( 3.632 0.162 0.000) 3.636 26.259 ( -6.643 0.023 0.000) 6.644======================= Grid point 26 (19/180) =======================q-point: ( 0.36 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.397 ( 1.850 1.994 0.000) 2.720 2.664 ( 13.534 -5.436 0.000) 14.585 2.815 ( 22.535 0.449 0.000) 22.539 2.857 ( -6.351 -2.542 0.000) 6.841 3.708 ( 3.484 1.699 0.000) 3.876 3.818 ( -1.187 1.867 0.000) 2.212 3.961 ( -4.908 0.263 0.000) 4.915 4.355 ( -9.620 5.224 0.000) 10.947 4.604 ( 3.214 3.239 0.000) 4.563 5.382 ( -1.915 -1.414 0.000) 2.380 5.588 ( 8.549 -8.473 0.000) 12.036 6.423 ( -31.659 2.477 0.000) 31.756 6.542 ( -7.112 2.879 0.000) 7.673 6.742 ( -8.981 -0.785 0.000) 9.016 6.804 ( 13.536 1.723 0.000) 13.645 6.949 ( -7.812 3.020 0.000) 8.376 7.869 ( -9.387 2.480 0.000) 9.709 8.957 ( -2.995 -13.640 0.000) 13.965 9.670 ( 6.597 -2.593 0.000) 7.088 10.143 ( -1.172 0.734 0.000) 1.383 10.532 ( -6.018 -0.434 0.000) 6.034 10.578 ( -0.525 2.488 0.000) 2.543 10.779 ( 3.541 -2.074 0.000) 4.103 11.637 ( 2.029 2.470 0.000) 3.197 11.775 ( 5.120 10.428 0.000) 11.617 12.393 ( 5.761 -9.221 0.000) 10.873 13.415 ( 4.535 16.028 0.000) 16.657 14.436 ( 1.111 -12.580 0.000) 12.629 22.062 ( -4.062 1.634 0.000) 4.378 22.325 ( -1.473 -3.319 0.000) 3.631 22.988 ( 0.662 -0.138 0.000) 0.677 23.858 ( -6.365 8.547 0.000) 10.656 25.535 ( 2.421 -2.604 0.000) 3.555 26.141 ( -5.347 0.480 0.000) 5.369 26.218 ( 3.374 -0.769 0.000) 3.461 26.296 ( 9.491 -1.894 0.000) 9.678======================= Grid point 27 (20/180) =======================q-point: (-0.55 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.378 ( -1.771 3.601 0.000) 4.013 2.621 ( -6.768 -1.658 0.000) 6.968 3.045 ( 10.251 9.999 0.000) 14.320 3.140 ( 18.459 -6.354 0.000) 19.522 3.701 ( -0.388 4.294 0.000) 4.311 3.788 ( 0.325 1.850 0.000) 1.878 3.856 ( -9.152 -0.917 0.000) 9.198 4.100 ( -18.991 -2.182 0.000) 19.116 4.562 ( 6.364 8.155 0.000) 10.344 5.274 ( -10.580 3.073 0.000) 11.017 5.861 ( -33.285 -0.113 0.000) 33.285 5.921 ( 16.098 -6.443 0.000) 17.339 6.369 ( -12.402 -0.583 0.000) 12.415 6.456 ( -23.641 -1.386 0.000) 23.682 6.843 ( -2.045 1.232 0.000) 2.387 6.993 ( 9.569 -2.954 0.000) 10.015 7.762 ( -4.270 -2.154 0.000) 4.782 9.077 ( -1.043 -13.827 0.000) 13.867 9.852 ( 9.568 -4.841 0.000) 10.723 10.104 ( -2.403 1.386 0.000) 2.774 10.426 ( -8.219 -2.041 0.000) 8.469 10.559 ( 2.796 4.480 0.000) 5.281 10.859 ( 4.253 -0.544 0.000) 4.288 11.640 ( 2.434 3.491 0.000) 4.256 11.748 ( 4.859 9.375 0.000) 10.559 12.578 ( 6.159 -6.321 0.000) 8.826 13.318 ( 4.751 15.204 0.000) 15.929 14.578 ( 0.671 -9.923 0.000) 9.946 21.958 ( -6.332 2.408 0.000) 6.775 22.281 ( -8.442 -5.378 0.000) 10.009 23.029 ( 4.307 1.217 0.000) 4.476 23.666 ( -6.557 6.585 0.000) 9.293 25.588 ( 1.783 -0.117 0.000) 1.787 26.051 ( -5.012 -0.260 0.000) 5.019 26.295 ( 4.292 -1.008 0.000) 4.409 26.458 ( 8.895 0.013 0.000) 8.895======================= Grid point 28 (21/180) =======================q-point: (-0.45 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.225 ( -7.927 7.857 0.000) 11.161 2.611 ( 1.524 -1.661 0.000) 2.254 2.882 ( -11.103 17.407 0.000) 20.647 3.471 ( 14.790 -1.904 0.000) 14.912 3.596 ( -21.092 4.371 0.000) 21.540 3.635 ( -1.521 2.178 0.000) 2.657 3.777 ( 0.752 1.948 0.000) 2.088 3.907 ( -8.768 -7.545 0.000) 11.567 4.657 ( 11.065 6.227 0.000) 12.697 5.009 ( -8.521 11.104 0.000) 13.996 5.352 ( -30.807 -4.901 0.000) 31.195 5.984 ( -29.424 -2.205 0.000) 29.507 6.021 ( -6.805 5.616 0.000) 8.823 6.377 ( 2.157 -11.714 0.000) 11.911 6.849 ( 0.855 -3.689 0.000) 3.787 7.220 ( 9.698 -9.618 0.000) 13.659 7.747 ( -2.774 -5.095 0.000) 5.802 9.227 ( 0.631 -13.681 0.000) 13.696 9.992 ( -1.484 1.949 0.000) 2.450 10.116 ( 6.396 -7.719 0.000) 10.024 10.312 ( -9.269 -4.041 0.000) 10.112 10.554 ( 4.666 8.572 0.000) 9.760 10.929 ( 4.251 0.848 0.000) 4.335 11.640 ( 2.702 4.277 0.000) 5.059 11.730 ( 4.477 7.568 0.000) 8.793 12.741 ( 6.878 -3.783 0.000) 7.850 13.236 ( 4.158 12.842 0.000) 13.498 14.674 ( 0.334 -5.886 0.000) 5.895 21.788 ( -10.553 2.697 0.000) 10.892 22.198 ( -9.531 -6.788 0.000) 11.701 23.076 ( 4.752 5.164 0.000) 7.018 23.505 ( -6.348 2.467 0.000) 6.810 25.589 ( 0.497 3.488 0.000) 3.524 25.985 ( -3.733 -0.910 0.000) 3.842 26.379 ( 4.092 -1.540 0.000) 4.372 26.597 ( 8.925 1.249 0.000) 9.012======================= Grid point 29 (22/180) =======================q-point: (-0.36 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.966 ( -8.007 14.518 0.000) 16.580 2.348 ( -30.062 14.188 0.000) 33.242 2.652 ( 1.616 0.261 0.000) 1.637 3.166 ( -11.016 23.105 0.000) 25.597 3.577 ( 1.614 0.950 0.000) 1.873 3.714 ( 8.827 1.835 0.000) 9.016 3.783 ( 1.612 -1.565 0.000) 2.247 3.800 ( -18.217 -7.683 0.000) 19.771 4.669 ( 0.287 4.898 0.000) 4.906 4.869 ( 2.109 9.499 0.000) 9.730 4.964 ( -25.135 -9.289 0.000) 26.797 5.609 ( -14.356 -1.821 0.000) 14.471 5.797 ( -10.183 4.946 0.000) 11.321 6.474 ( -5.249 -5.618 0.000) 7.688 6.949 ( 1.833 -9.866 0.000) 10.035 7.482 ( 7.178 -6.841 0.000) 9.916 7.817 ( 0.520 -15.364 0.000) 15.373 9.400 ( 2.062 -13.282 0.000) 13.442 9.918 ( -3.583 0.354 0.000) 3.600 10.218 ( -8.660 -6.255 0.000) 10.682 10.335 ( 6.996 -8.511 0.000) 11.017 10.504 ( 3.280 12.784 0.000) 13.198 10.979 ( 3.468 1.770 0.000) 3.893 11.629 ( 2.122 5.248 0.000) 5.661 11.732 ( 4.247 5.047 0.000) 6.597 12.895 ( 7.879 -2.122 0.000) 8.160 13.169 ( 2.846 9.595 0.000) 10.008 14.719 ( 0.172 -1.330 0.000) 1.341 21.569 ( -12.116 1.641 0.000) 12.226 22.106 ( -10.004 -5.081 0.000) 11.220 23.053 ( 2.360 9.624 0.000) 9.909 23.416 ( -4.149 -2.158 0.000) 4.677 25.527 ( -0.811 6.992 0.000) 7.038 25.948 ( -2.346 -1.430 0.000) 2.748 26.461 ( 3.272 -2.037 0.000) 3.854 26.732 ( 9.115 1.262 0.000) 9.202======================= Grid point 30 (23/180) =======================q-point: (-0.27 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.649 ( -31.463 15.329 0.000) 34.998 1.649 ( -5.588 21.495 0.000) 22.210 2.654 ( -0.052 1.164 0.000) 1.165 2.718 ( -2.896 37.463 0.000) 37.575 3.505 ( -20.445 -2.541 0.000) 20.602 3.606 ( 2.337 1.153 0.000) 2.606 3.773 ( 2.471 -0.172 0.000) 2.477 3.868 ( 4.361 0.031 0.000) 4.361 4.576 ( -6.952 6.515 0.000) 9.527 4.744 ( -15.272 -12.456 0.000) 19.708 4.818 ( 2.515 -0.405 0.000) 2.547 5.525 ( -5.737 -0.870 0.000) 5.803 5.662 ( 7.088 7.908 0.000) 10.620 6.323 ( -15.341 -0.325 0.000) 15.344 7.109 ( 0.906 -14.001 0.000) 14.031 7.559 ( 0.613 0.770 0.000) 0.984 8.128 ( 5.179 -26.633 0.000) 27.132 9.581 ( 2.323 -11.870 0.000) 12.096 9.891 ( -0.590 -2.094 0.000) 2.175 10.177 ( -5.644 -8.389 0.000) 10.111 10.362 ( -0.042 15.734 0.000) 15.734 10.529 ( 4.084 -7.969 0.000) 8.955 11.002 ( 1.920 2.135 0.000) 2.871 11.588 ( 0.825 6.669 0.000) 6.719 11.752 ( 3.128 2.814 0.000) 4.208 13.054 ( 8.044 -2.551 0.000) 8.439 13.120 ( 1.242 5.111 0.000) 5.260 14.709 ( 0.098 3.439 0.000) 3.441 21.374 ( -9.026 0.829 0.000) 9.064 21.970 ( -9.995 -0.670 0.000) 10.017 22.960 ( 0.610 10.445 0.000) 10.463 23.398 ( -2.081 -3.084 0.000) 3.721 25.416 ( -1.228 9.299 0.000) 9.380 25.937 ( -1.071 -1.674 0.000) 1.988 26.529 ( 1.866 -2.323 0.000) 2.980 26.870 ( 7.855 -0.484 0.000) 7.870======================= Grid point 31 (24/180) =======================q-point: (-0.18 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.129 ( 0.000 20.843 0.000) 20.843 1.329 ( 0.000 26.177 0.000) 26.177 2.230 ( 0.000 45.076 0.000) 45.076 2.639 ( 0.000 1.068 0.000) 1.068 3.307 ( 0.000 0.862 0.000) 0.862 3.596 ( 0.000 4.332 0.000) 4.332 3.822 ( -0.000 -3.581 0.000) 3.581 3.894 ( 0.000 1.036 0.000) 1.036 4.421 ( 0.000 6.180 0.000) 6.180 4.758 ( -0.000 -13.009 0.000) 13.009 4.878 ( -0.000 -1.047 0.000) 1.047 5.443 ( 0.000 1.108 0.000) 1.108 5.691 ( 0.000 10.621 0.000) 10.621 6.132 ( -0.000 -1.060 0.000) 1.060 7.281 ( -0.000 -15.455 0.000) 15.455 7.544 ( 0.000 1.912 0.000) 1.912 8.485 ( -0.000 -27.441 0.000) 27.441 9.718 ( -0.000 -8.211 0.000) 8.211 9.933 ( -0.000 -4.050 0.000) 4.050 10.159 ( 0.000 17.911 0.000) 17.911 10.231 ( -0.000 -9.707 0.000) 9.707 10.653 ( -0.000 -7.755 0.000) 7.755 10.994 ( 0.000 2.048 0.000) 2.048 11.511 ( 0.000 7.877 0.000) 7.877 11.757 ( 0.000 1.773 0.000) 1.773 13.105 ( -0.000 -1.081 0.000) 1.081 13.182 ( -0.000 -4.343 0.000) 4.343 14.646 ( 0.000 8.139 0.000) 8.139 21.282 ( 0.000 0.753 0.000) 0.753 21.840 ( 0.000 3.735 0.000) 3.735 22.852 ( 0.000 9.922 0.000) 9.922 23.410 ( -0.000 -2.819 0.000) 2.819 25.296 ( 0.000 9.653 0.000) 9.653 25.947 ( -0.000 -1.588 0.000) 1.588 26.571 ( -0.000 -2.272 0.000) 2.272 26.970 ( -0.000 -2.695 0.000) 2.695======================= Grid point 36 (25/180) =======================q-point: ( 0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.430 ( 0.003 -0.000 0.000) 0.003 2.583 ( 21.059 -0.000 0.000) 21.059 2.820 ( 26.890 -0.000 0.000) 26.890 2.832 ( -11.446 0.000 0.000) 11.446 3.727 ( 4.611 -0.000 0.000) 4.611 3.840 ( -1.014 0.000 0.000) 1.014 3.964 ( -4.456 0.000 0.000) 4.456 4.380 ( -15.436 0.000 0.000) 15.436 4.703 ( 10.562 -0.000 0.000) 10.562 5.359 ( -4.237 0.000 0.000) 4.237 5.466 ( 7.949 -0.000 0.000) 7.949 6.454 ( -32.271 0.000 0.000) 32.271 6.582 ( -7.593 0.000 0.000) 7.593 6.729 ( -9.254 0.000 0.000) 9.254 6.829 ( 11.951 -0.000 0.000) 11.951 6.987 ( -7.633 0.000 0.000) 7.633 7.911 ( -14.650 0.000 0.000) 14.650 8.780 ( -0.024 0.000 0.000) 0.024 9.645 ( 5.511 -0.000 0.000) 5.511 10.144 ( -0.885 0.000 0.000) 0.885 10.527 ( -6.774 0.000 0.000) 6.774 10.610 ( -0.805 0.000 0.000) 0.805 10.752 ( 5.327 -0.000 0.000) 5.327 11.665 ( 2.102 -0.000 0.000) 2.102 11.953 ( 3.885 -0.000 0.000) 3.885 12.230 ( 8.152 -0.000 0.000) 8.152 13.663 ( 4.823 -0.000 0.000) 4.823 14.230 ( 1.301 -0.000 0.000) 1.301 22.085 ( -4.460 0.000 0.000) 4.460 22.282 ( -1.030 0.000 0.000) 1.030 22.986 ( 0.622 -0.000 0.000) 0.622 23.967 ( -8.829 0.000 0.000) 8.829 25.500 ( 3.964 -0.000 0.000) 3.964 26.148 ( -6.456 0.000 0.000) 6.456 26.208 ( 4.047 -0.000 0.000) 4.047 26.271 ( 11.170 -0.000 0.000) 11.170======================= Grid point 37 (26/180) =======================q-point: ( 0.36 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.441 ( 1.584 1.852 0.000) 2.437 2.576 ( -11.071 -1.719 0.000) 11.204 3.018 ( 20.497 -3.391 0.000) 20.776 3.195 ( 18.824 3.492 0.000) 19.145 3.779 ( 2.208 2.018 0.000) 2.991 3.824 ( 0.061 1.026 0.000) 1.028 3.886 ( -9.870 3.147 0.000) 10.359 4.009 ( -23.913 -5.093 0.000) 24.450 4.747 ( 3.378 6.124 0.000) 6.993 5.310 ( -2.015 1.153 0.000) 2.322 5.747 ( 17.362 -6.661 0.000) 18.596 5.876 ( -35.857 0.802 0.000) 35.866 6.396 ( -15.546 1.742 0.000) 15.644 6.428 ( -23.393 -1.079 0.000) 23.418 6.888 ( -3.857 1.659 0.000) 4.199 6.952 ( 3.394 -0.818 0.000) 3.491 7.730 ( -7.067 -0.761 0.000) 7.107 8.837 ( 1.774 -6.263 0.000) 6.509 9.771 ( 8.313 -1.963 0.000) 8.542 10.114 ( -3.665 -0.059 0.000) 3.666 10.395 ( -9.364 -0.714 0.000) 9.392 10.637 ( 5.278 1.936 0.000) 5.622 10.848 ( 5.778 -0.322 0.000) 5.787 11.695 ( 2.448 1.284 0.000) 2.764 11.970 ( 5.026 8.736 0.000) 10.079 12.405 ( 6.603 -7.488 0.000) 9.984 13.665 ( 5.136 13.106 0.000) 14.077 14.319 ( 0.952 -10.890 0.000) 10.931 22.015 ( -3.459 2.207 0.000) 4.103 22.182 ( -11.363 -3.095 0.000) 11.777 23.041 ( 5.426 0.110 0.000) 5.427 23.793 ( -9.211 3.584 0.000) 9.884 25.579 ( 4.774 -0.372 0.000) 4.789 26.048 ( -5.557 -0.059 0.000) 5.558 26.278 ( 4.074 -0.406 0.000) 4.094 26.449 ( 9.793 -0.422 0.000) 9.802======================= Grid point 38 (27/180) =======================q-point: (-0.55 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.342 ( -7.756 2.967 0.000) 8.304 2.551 ( 2.501 -2.915 0.000) 3.841 3.196 ( -18.789 11.088 0.000) 21.817 3.377 ( 16.638 -4.624 0.000) 17.268 3.576 ( -7.133 -4.909 0.000) 8.659 3.740 ( -1.231 5.498 0.000) 5.634 3.828 ( 1.773 1.793 0.000) 2.522 3.853 ( -8.870 0.932 0.000) 8.919 4.770 ( 5.201 3.382 0.000) 6.204 5.237 ( 0.358 9.288 0.000) 9.295 5.286 ( -34.439 -1.276 0.000) 34.463 5.944 ( -28.186 -1.202 0.000) 28.211 6.096 ( 11.314 -5.374 0.000) 12.526 6.148 ( -16.034 -1.800 0.000) 16.135 6.827 ( -1.403 0.718 0.000) 1.576 7.019 ( 1.004 -7.414 0.000) 7.482 7.670 ( -3.230 -2.186 0.000) 3.900 8.960 ( 2.533 -9.072 0.000) 9.419 9.953 ( 8.584 -4.267 0.000) 9.586 10.021 ( -7.217 -0.846 0.000) 7.266 10.243 ( -10.598 -2.159 0.000) 10.815 10.719 ( 8.566 5.287 0.000) 10.066 10.942 ( 5.425 0.393 0.000) 5.439 11.719 ( 2.899 2.506 0.000) 3.832 11.940 ( 4.598 10.735 0.000) 11.678 12.596 ( 5.627 -8.463 0.000) 10.162 13.576 ( 4.609 16.435 0.000) 17.069 14.465 ( 0.621 -12.049 0.000) 12.065 21.856 ( -12.181 3.220 0.000) 12.600 22.074 ( -5.969 -4.510 0.000) 7.481 23.138 ( 6.406 1.058 0.000) 6.492 23.596 ( -8.967 4.312 0.000) 9.950 25.648 ( 4.084 1.825 0.000) 4.473 25.969 ( -4.261 -0.496 0.000) 4.289 26.351 ( 3.732 -0.932 0.000) 3.847 26.603 ( 8.401 -0.268 0.000) 8.405======================= Grid point 39 (28/180) =======================q-point: (-0.45 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.185 ( -5.740 5.190 0.000) 7.739 2.584 ( -35.917 7.424 0.000) 36.676 2.634 ( 3.449 -1.604 0.000) 3.804 3.573 ( 2.936 11.866 0.000) 12.224 3.626 ( -0.386 0.570 0.000) 0.688 3.664 ( -12.746 -3.604 0.000) 13.246 3.676 ( 9.593 0.521 0.000) 9.607 3.837 ( 2.907 3.410 0.000) 4.481 4.761 ( -2.236 3.261 0.000) 3.954 4.797 ( -28.391 -5.512 0.000) 28.921 5.106 ( -6.359 10.623 0.000) 12.382 5.590 ( -8.963 0.583 0.000) 8.982 5.885 ( -11.428 2.057 0.000) 11.612 6.316 ( 2.397 -7.199 0.000) 7.588 6.827 ( 0.378 -1.925 0.000) 1.961 7.186 ( 3.624 -15.955 0.000) 16.361 7.646 ( -3.332 -2.870 0.000) 4.398 9.117 ( 2.980 -10.838 0.000) 11.240 9.894 ( -7.846 -1.661 0.000) 8.020 10.103 ( -9.959 -3.987 0.000) 10.727 10.159 ( 7.235 -6.855 0.000) 9.967 10.774 ( 7.451 9.841 0.000) 12.344 11.014 ( 4.179 1.303 0.000) 4.377 11.732 ( 2.680 3.711 0.000) 4.577 11.892 ( 3.469 9.566 0.000) 10.175 12.776 ( 5.017 -7.969 0.000) 9.416 13.463 ( 3.480 15.813 0.000) 16.192 14.594 ( 0.307 -9.445 0.000) 9.450 21.602 ( -14.054 1.248 0.000) 14.109 22.040 ( -3.024 -1.441 0.000) 3.350 23.209 ( 4.633 3.845 0.000) 6.021 23.418 ( -6.976 2.369 0.000) 7.367 25.664 ( 2.379 5.146 0.000) 5.670 25.919 ( -2.773 -1.065 0.000) 2.970 26.420 ( 2.928 -1.527 0.000) 3.302 26.735 ( 6.936 -0.527 0.000) 6.956======================= Grid point 40 (29/180) =======================q-point: (-0.36 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.930 ( -28.883 9.928 0.000) 30.542 2.023 ( -3.120 11.362 0.000) 11.782 2.676 ( 0.869 0.664 0.000) 1.093 3.384 ( -1.711 16.172 0.000) 16.262 3.501 ( -9.232 6.566 0.000) 11.329 3.582 ( -0.500 -0.589 0.000) 0.772 3.825 ( 2.845 1.928 0.000) 3.437 3.877 ( 7.949 1.456 0.000) 8.081 4.486 ( -18.739 -10.001 0.000) 21.240 4.701 ( -0.979 2.820 0.000) 2.985 4.817 ( -12.239 3.275 0.000) 12.670 5.528 ( -4.129 0.943 0.000) 4.236 5.824 ( 11.126 5.780 0.000) 12.538 6.306 ( -9.983 -1.603 0.000) 10.111 6.878 ( 0.580 -5.967 0.000) 5.995 7.470 ( 5.764 -17.523 0.000) 18.447 7.633 ( -4.019 -8.194 0.000) 9.126 9.294 ( 2.494 -12.314 0.000) 12.564 9.818 ( -4.373 -3.684 0.000) 5.718 10.016 ( -6.614 -5.922 0.000) 8.878 10.337 ( 4.039 -7.955 0.000) 8.922 10.732 ( 3.804 14.725 0.000) 15.209 11.049 ( 2.230 1.975 0.000) 2.979 11.720 ( 1.549 4.977 0.000) 5.212 11.849 ( 2.164 6.497 0.000) 6.848 12.937 ( 3.807 -7.541 0.000) 8.447 13.342 ( 1.817 13.803 0.000) 13.922 14.682 ( 0.118 -5.668 0.000) 5.670 21.392 ( -9.327 0.726 0.000) 9.355 21.991 ( -2.582 1.842 0.000) 3.172 23.172 ( -0.327 8.080 0.000) 8.087 23.350 ( -1.138 -1.244 0.000) 1.686 25.614 ( 0.633 8.137 0.000) 8.162 25.900 ( -1.302 -1.549 0.000) 2.024 26.479 ( 1.655 -2.049 0.000) 2.634 26.844 ( 4.643 -1.533 0.000) 4.890======================= Grid point 41 (30/180) =======================q-point: (-0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.522 ( 0.000 14.435 0.000) 14.435 1.830 ( 0.000 18.015 0.000) 18.015 2.666 ( 0.000 1.372 0.000) 1.372 3.124 ( 0.000 34.266 0.000) 34.266 3.324 ( 0.000 0.577 0.000) 0.577 3.611 ( -0.000 -3.243 0.000) 3.243 3.807 ( 0.000 3.454 0.000) 3.454 3.939 ( 0.000 2.353 0.000) 2.353 4.453 ( -0.000 -13.776 0.000) 13.776 4.578 ( 0.000 7.603 0.000) 7.603 4.793 ( -0.000 -5.666 0.000) 5.666 5.466 ( 0.000 0.966 0.000) 0.966 5.947 ( 0.000 11.757 0.000) 11.757 6.115 ( -0.000 -1.271 0.000) 1.271 6.977 ( -0.000 -10.649 0.000) 10.649 7.572 ( 0.000 0.534 0.000) 0.534 7.855 ( -0.000 -28.628 0.000) 28.628 9.459 ( -0.000 -13.174 0.000) 13.174 9.833 ( -0.000 -4.785 0.000) 4.785 10.034 ( -0.000 -7.654 0.000) 7.654 10.460 ( -0.000 -7.193 0.000) 7.193 10.580 ( 0.000 16.815 0.000) 16.815 11.044 ( 0.000 2.257 0.000) 2.257 11.670 ( 0.000 6.217 0.000) 6.217 11.813 ( 0.000 3.766 0.000) 3.766 13.056 ( -0.000 -7.044 0.000) 7.044 13.220 ( 0.000 10.486 0.000) 10.486 14.722 ( -0.000 -1.290 0.000) 1.290 21.300 ( 0.000 0.868 0.000) 0.868 21.928 ( 0.000 3.997 0.000) 3.997 23.071 ( 0.000 9.101 0.000) 9.101 23.359 ( -0.000 -1.603 0.000) 1.603 25.516 ( 0.000 9.689 0.000) 9.689 25.908 ( -0.000 -1.775 0.000) 1.775 26.518 ( -0.000 -2.351 0.000) 2.351 26.910 ( -0.000 -2.562 0.000) 2.562======================= Grid point 48 (31/180) =======================q-point: ( 0.36 -0.64 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.371 ( -10.475 0.000 0.000) 10.475 2.515 ( 4.830 -0.000 0.000) 4.830 3.320 ( 17.217 -0.000 0.000) 17.217 3.363 ( -39.395 0.000 0.000) 39.395 3.470 ( 10.670 -0.000 0.000) 10.670 3.818 ( 0.490 -0.000 0.000) 0.490 3.839 ( 1.495 -0.000 0.000) 1.495 3.870 ( -4.113 0.000 0.000) 4.113 4.805 ( 1.279 -0.000 0.000) 1.279 5.277 ( -36.078 0.000 0.000) 36.078 5.368 ( 4.993 -0.000 0.000) 4.993 5.942 ( -28.711 0.000 0.000) 28.711 5.954 ( 9.034 -0.000 0.000) 9.034 6.174 ( -12.160 0.000 0.000) 12.160 6.842 ( -2.579 0.000 0.000) 2.579 6.930 ( -3.374 0.000 0.000) 3.374 7.646 ( -2.901 0.000 0.000) 2.901 8.856 ( 4.010 -0.000 0.000) 4.010 9.901 ( 8.598 -0.000 0.000) 8.598 10.013 ( -8.183 0.000 0.000) 8.183 10.218 ( -11.023 0.000 0.000) 11.023 10.777 ( 9.317 -0.000 0.000) 9.317 10.947 ( 5.916 -0.000 0.000) 5.916 11.747 ( 2.897 -0.000 0.000) 2.897 12.111 ( 5.190 -0.000 0.000) 5.190 12.453 ( 4.879 -0.000 0.000) 4.879 13.835 ( 4.973 -0.000 0.000) 4.973 14.257 ( 0.313 -0.000 0.000) 0.313 21.906 ( -17.275 0.000 0.000) 17.275 22.010 ( -0.083 0.000 0.000) 0.083 23.147 ( 6.643 -0.000 0.000) 6.643 23.649 ( -10.041 0.000 0.000) 10.041 25.669 ( 5.640 -0.000 0.000) 5.640 25.963 ( -4.471 0.000 0.000) 4.471 26.340 ( 3.616 -0.000 0.000) 3.616 26.598 ( 8.324 -0.000 0.000) 8.324======================= Grid point 50 (32/180) =======================q-point: (-0.55 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.228 ( -6.564 -0.057 0.000) 6.564 2.607 ( 5.335 -0.556 0.000) 5.364 2.692 ( -38.239 2.429 0.000) 38.316 3.564 ( -2.495 -2.198 0.000) 3.325 3.569 ( 10.924 -2.029 0.000) 11.110 3.775 ( -2.594 3.790 0.000) 4.593 3.782 ( -1.094 4.358 0.000) 4.493 3.883 ( 3.662 0.532 0.000) 3.701 4.719 ( -31.035 -1.654 0.000) 31.079 4.818 ( 0.533 1.672 0.000) 1.755 5.275 ( -17.229 3.632 0.000) 17.607 5.653 ( 0.087 4.708 0.000) 4.709 5.853 ( -13.780 -4.298 0.000) 14.435 6.217 ( 7.692 -1.537 0.000) 7.844 6.815 ( -0.255 0.115 0.000) 0.279 6.910 ( -2.423 -7.119 0.000) 7.520 7.610 ( -2.373 -0.744 0.000) 2.487 8.951 ( 4.491 -3.829 0.000) 5.901 9.864 ( -9.422 -0.781 0.000) 9.455 10.044 ( -10.482 -1.338 0.000) 10.567 10.049 ( 7.139 -2.689 0.000) 7.628 10.914 ( 8.448 2.932 0.000) 8.942 11.034 ( 4.671 0.469 0.000) 4.695 11.788 ( 2.746 1.278 0.000) 3.029 12.129 ( 4.024 9.706 0.000) 10.507 12.574 ( 3.399 -8.560 0.000) 9.210 13.817 ( 3.523 13.792 0.000) 14.235 14.338 ( 0.298 -11.513 0.000) 11.516 21.622 ( -15.573 0.462 0.000) 15.580 22.024 ( 0.891 -0.234 0.000) 0.921 23.247 ( 5.416 0.439 0.000) 5.434 23.478 ( -8.780 1.863 0.000) 8.975 25.746 ( 4.498 1.986 0.000) 4.917 25.903 ( -3.044 -0.385 0.000) 3.069 26.396 ( 2.750 -0.567 0.000) 2.808 26.722 ( 6.202 -0.427 0.000) 6.216======================= Grid point 51 (33/180) =======================q-point: (-0.45 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.093 ( -27.167 4.800 0.000) 27.588 2.150 ( -2.650 1.075 0.000) 2.860 2.684 ( 3.041 0.195 0.000) 3.048 3.433 ( -10.934 -0.708 0.000) 10.957 3.638 ( -1.218 4.904 0.000) 5.053 3.755 ( 4.085 6.063 0.000) 7.311 3.803 ( 7.065 -2.148 0.000) 7.384 3.937 ( 4.443 2.225 0.000) 4.969 4.317 ( -21.434 -5.123 0.000) 22.037 4.769 ( -1.094 4.994 0.000) 5.112 4.933 ( -14.789 4.544 0.000) 15.471 5.559 ( -6.829 1.665 0.000) 7.029 5.867 ( 8.671 -2.023 0.000) 8.904 6.291 ( -0.369 1.045 0.000) 1.108 6.823 ( 0.609 -0.248 0.000) 0.658 7.025 ( 0.241 -16.393 0.000) 16.395 7.581 ( -2.038 -0.908 0.000) 2.231 9.077 ( 3.338 -6.691 0.000) 7.478 9.747 ( -6.126 -2.468 0.000) 6.604 9.918 ( -6.967 -2.920 0.000) 7.554 10.187 ( 4.041 -5.095 0.000) 6.503 10.974 ( 4.802 6.714 0.000) 8.255 11.085 ( 2.505 1.178 0.000) 2.769 11.804 ( 1.676 2.574 0.000) 3.072 12.055 ( 1.959 11.531 0.000) 11.696 12.732 ( 2.219 -10.532 0.000) 10.764 13.688 ( 1.839 16.353 0.000) 16.456 14.478 ( 0.179 -11.929 0.000) 11.930 21.405 ( -9.369 0.449 0.000) 9.380 22.031 ( 0.545 1.459 0.000) 1.558 23.300 ( 1.184 2.965 0.000) 3.192 23.343 ( -3.344 0.822 0.000) 3.443 25.764 ( 2.161 4.988 0.000) 5.435 25.872 ( -1.493 -0.906 0.000) 1.746 26.442 ( 1.516 -1.191 0.000) 1.928 26.812 ( 3.547 -1.163 0.000) 3.732======================= Grid point 52 (34/180) =======================q-point: (-0.36 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.773 ( 0.000 8.276 0.000) 8.276 2.095 ( 0.000 5.619 0.000) 5.619 2.697 ( 0.000 1.279 0.000) 1.279 3.331 ( 0.000 0.091 0.000) 0.091 3.578 ( 0.000 2.077 0.000) 2.077 3.686 ( 0.000 14.746 0.000) 14.746 3.883 ( 0.000 1.838 0.000) 1.838 3.990 ( 0.000 2.234 0.000) 2.234 4.176 ( -0.000 -10.530 0.000) 10.530 4.718 ( 0.000 1.251 0.000) 1.251 4.740 ( 0.000 6.426 0.000) 6.426 5.484 ( 0.000 0.577 0.000) 0.577 6.038 ( -0.000 -5.711 0.000) 5.711 6.186 ( 0.000 9.129 0.000) 9.129 6.839 ( -0.000 -2.118 0.000) 2.118 7.259 ( -0.000 -23.591 0.000) 23.591 7.570 ( -0.000 -0.551 0.000) 0.551 9.197 ( -0.000 -9.512 0.000) 9.512 9.732 ( -0.000 -3.996 0.000) 3.996 9.898 ( -0.000 -4.539 0.000) 4.539 10.288 ( -0.000 -6.874 0.000) 6.874 10.914 ( 0.000 11.308 0.000) 11.308 11.089 ( 0.000 1.746 0.000) 1.746 11.783 ( 0.000 3.862 0.000) 3.862 11.953 ( 0.000 9.316 0.000) 9.316 12.867 ( -0.000 -9.951 0.000) 9.951 13.524 ( 0.000 15.829 0.000) 15.829 14.599 ( -0.000 -9.330 0.000) 9.330 21.318 ( 0.000 0.682 0.000) 0.682 22.008 ( 0.000 3.019 0.000) 3.019 23.234 ( 0.000 5.367 0.000) 5.367 23.341 ( -0.000 -0.163 0.000) 0.163 25.710 ( 0.000 7.405 0.000) 7.405 25.873 ( -0.000 -1.351 0.000) 1.351 26.471 ( -0.000 -1.732 0.000) 1.732 26.860 ( -0.000 -1.883 0.000) 1.883======================= Grid point 61 (35/180) =======================q-point: ( 0.45 -0.55 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.146 ( -26.607 0.000 0.000) 26.607 2.146 ( -2.967 0.000 0.000) 2.967 2.687 ( 3.951 -0.000 0.000) 3.951 3.423 ( -9.552 0.000 0.000) 9.552 3.712 ( 8.052 -0.000 0.000) 8.052 3.777 ( -1.819 0.000 0.000) 1.819 3.803 ( 1.846 -0.000 0.000) 1.846 3.957 ( 3.891 -0.000 0.000) 3.891 4.259 ( -22.080 0.000 0.000) 22.080 4.852 ( 1.257 -0.000 0.000) 1.257 4.980 ( -14.476 0.000 0.000) 14.476 5.586 ( -10.788 0.000 0.000) 10.788 5.818 ( 7.376 -0.000 0.000) 7.376 6.315 ( 4.245 -0.000 0.000) 4.245 6.825 ( 1.113 -0.000 0.000) 1.113 6.832 ( -1.373 0.000 0.000) 1.373 7.571 ( -1.772 0.000 0.000) 1.772 9.003 ( 3.707 -0.000 0.000) 3.707 9.718 ( -6.749 0.000 0.000) 6.749 9.886 ( -7.034 0.000 0.000) 7.034 10.128 ( 4.028 -0.000 0.000) 4.028 11.044 ( 4.907 -0.000 0.000) 4.907 11.099 ( 2.621 -0.000 0.000) 2.621 11.833 ( 1.697 -0.000 0.000) 1.697 12.253 ( 2.616 -0.000 0.000) 2.616 12.551 ( 1.270 -0.000 0.000) 1.270 13.958 ( 2.063 -0.000 0.000) 2.063 14.258 ( -0.095 0.000 0.000) 0.095 21.410 ( -9.374 0.000 0.000) 9.374 22.048 ( 1.436 -0.000 0.000) 1.436 23.320 ( 3.028 -0.000 0.000) 3.028 23.365 ( -5.541 0.000 0.000) 5.541 25.821 ( 2.764 -0.000 0.000) 2.764 25.862 ( -1.567 0.000 0.000) 1.567 26.428 ( 1.469 -0.000 0.000) 1.469 26.798 ( 3.278 -0.000 0.000) 3.278======================= Grid point 63 (36/180) =======================q-point: (-0.45 0.45 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.894 ( 0.000 2.689 0.000) 2.689 2.128 ( -0.000 -0.653 0.000) 0.653 2.719 ( 0.000 0.556 0.000) 0.556 3.331 ( -0.000 -0.051 0.000) 0.051 3.699 ( 0.000 7.262 0.000) 7.262 3.820 ( 0.000 0.678 0.000) 0.678 3.856 ( -0.000 -4.158 0.000) 4.158 4.009 ( -0.000 -3.982 0.000) 3.982 4.033 ( 0.000 1.249 0.000) 1.249 4.831 ( 0.000 5.377 0.000) 5.377 4.843 ( 0.000 2.535 0.000) 2.535 5.492 ( 0.000 0.159 0.000) 0.159 5.908 ( -0.000 -4.261 0.000) 4.261 6.330 ( 0.000 3.456 0.000) 3.456 6.834 ( 0.000 0.543 0.000) 0.543 6.875 ( -0.000 -9.510 0.000) 9.510 7.557 ( -0.000 -0.403 0.000) 0.403 9.055 ( -0.000 -3.223 0.000) 3.223 9.667 ( -0.000 -1.584 0.000) 1.584 9.832 ( -0.000 -1.459 0.000) 1.459 10.177 ( -0.000 -2.727 0.000) 2.727 11.069 ( 0.000 3.072 0.000) 3.072 11.117 ( 0.000 0.656 0.000) 0.656 11.840 ( 0.000 1.301 0.000) 1.301 12.201 ( 0.000 10.840 0.000) 10.840 12.630 ( -0.000 -10.017 0.000) 10.017 13.877 ( 0.000 14.167 0.000) 14.167 14.343 ( -0.000 -11.965 0.000) 11.965 21.329 ( 0.000 0.257 0.000) 0.257 22.056 ( 0.000 1.120 0.000) 1.120 23.309 ( 0.000 1.533 0.000) 1.533 23.344 ( 0.000 0.242 0.000) 0.242 25.829 ( 0.000 2.890 0.000) 2.890 25.851 ( -0.000 -0.497 0.000) 0.497 26.444 ( -0.000 -0.636 0.000) 0.636 26.830 ( -0.000 -0.760 0.000) 0.760======================= Grid point 125 (37/180) =======================q-point: ( 0.00 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.501 ( 0.000 0.000 26.200) 26.200 0.534 ( 0.000 0.000 27.922) 27.922 0.798 ( 0.000 0.000 40.638) 40.638 2.585 ( 0.000 0.000 -3.196) 3.196 3.287 ( 0.000 0.000 0.317) 0.317 3.425 ( 0.000 0.000 -3.592) 3.592 3.721 ( 0.000 0.000 -20.943) 20.943 4.176 ( 0.000 0.000 -10.707) 10.707 4.657 ( 0.000 0.000 3.178) 3.178 4.908 ( 0.000 0.000 -8.210) 8.210 5.066 ( 0.000 0.000 20.882) 20.882 5.423 ( 0.000 0.000 -3.013) 3.013 5.642 ( 0.000 0.000 -4.316) 4.316 5.721 ( 0.000 0.000 23.978) 23.978 7.316 ( 0.000 0.000 -7.876) 7.876 7.483 ( 0.000 0.000 0.511) 0.511 9.534 ( 0.000 0.000 1.772) 1.772 9.674 ( 0.000 0.000 -0.554) 0.554 10.010 ( 0.000 0.000 -1.342) 1.342 10.305 ( 0.000 0.000 1.954) 1.954 10.604 ( 0.000 0.000 4.916) 4.916 10.776 ( 0.000 0.000 -3.223) 3.223 10.917 ( 0.000 0.000 -2.931) 2.931 11.204 ( 0.000 0.000 -3.810) 3.810 11.705 ( 0.000 0.000 -0.158) 0.158 11.841 ( 0.000 0.000 -1.319) 1.319 14.183 ( 0.000 0.000 3.611) 3.611 14.725 ( 0.000 0.000 -1.384) 1.384 21.281 ( 0.000 0.000 1.750) 1.750 21.725 ( 0.000 0.000 -2.061) 2.061 22.597 ( 0.000 0.000 1.129) 1.129 22.924 ( 0.000 0.000 -1.587) 1.587 25.043 ( 0.000 0.000 0.829) 0.829 25.405 ( 0.000 0.000 -3.058) 3.058 26.673 ( 0.000 0.000 4.366) 4.366 27.304 ( 0.000 0.000 -1.759) 1.759======================= Grid point 126 (38/180) =======================q-point: ( 0.09 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.747 ( 15.115 -13.400 17.281) 26.583 0.859 ( 15.648 -22.830 16.695) 32.323 1.325 ( 41.997 -13.235 22.741) 49.559 2.594 ( 0.769 -0.287 -2.705) 2.826 3.412 ( -1.970 -1.833 -4.506) 5.248 3.605 ( 11.785 -0.398 -12.502) 17.185 3.751 ( 8.574 2.829 -15.517) 17.952 4.276 ( 5.080 7.880 -0.244) 9.379 4.359 ( 4.106 4.710 5.632) 8.412 4.977 ( 7.487 3.870 -2.617) 8.825 5.064 ( 4.967 2.677 14.382) 15.449 5.554 ( -2.145 0.497 2.612) 3.416 5.777 ( 10.881 6.738 14.473) 19.320 6.275 ( 39.593 4.935 -34.784) 52.933 7.362 ( -2.081 -7.174 -13.251) 15.211 7.487 ( -0.325 -0.936 -0.498) 1.109 9.325 ( -14.425 18.762 4.211) 24.038 9.619 ( -5.861 0.326 -1.421) 6.039 9.770 ( -11.773 -5.903 8.064) 15.442 10.307 ( 10.482 12.793 3.206) 16.847 10.593 ( 2.402 6.502 4.352) 8.184 10.758 ( -4.262 -0.394 -3.173) 5.328 10.913 ( -1.648 -1.078 -2.120) 2.893 11.272 ( 4.781 -3.657 -3.690) 7.060 11.677 ( -2.471 0.835 0.044) 2.609 12.042 ( -3.564 -25.404 -14.876) 29.654 14.030 ( -27.658 11.091 28.631) 41.325 14.269 ( -3.957 -10.897 5.374) 12.778 21.352 ( 7.865 -0.620 2.021) 8.144 22.452 ( 30.166 21.968 -18.791) 41.781 22.654 ( 14.887 9.584 -2.939) 17.948 23.258 ( 24.104 -16.678 -30.607) 42.378 25.078 ( 3.182 -3.137 -0.127) 4.470 25.527 ( -0.867 -18.402 -11.347) 21.637 26.624 ( -3.205 4.706 5.060) 7.617 26.962 ( -24.107 -1.125 18.812) 30.599======================= Grid point 127 (39/180) =======================q-point: ( 0.18 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.207 ( 18.553 -16.543 9.544) 26.626 1.401 ( 15.514 -26.002 9.277) 31.667 2.229 ( 45.867 -11.933 8.718) 48.189 2.615 ( 1.503 -1.918 -0.127) 2.441 3.423 ( 0.437 -2.858 -4.722) 5.538 3.625 ( -3.527 0.214 -11.479) 12.011 3.857 ( 0.309 0.628 2.005) 2.124 4.273 ( 14.671 9.643 -1.305) 17.605 4.530 ( 5.365 -3.156 -1.271) 6.353 4.947 ( 3.827 14.008 12.925) 19.441 5.257 ( 14.877 -1.265 -4.024) 15.463 5.605 ( 10.741 -0.656 3.557) 11.334 5.885 ( 10.444 4.718 10.548) 15.576 6.591 ( 15.232 9.669 -18.129) 25.577 7.334 ( -5.019 2.122 -12.740) 13.856 7.477 ( -2.757 -1.000 -2.558) 3.892 8.822 ( -16.195 21.284 4.613) 27.140 9.526 ( -9.389 -6.148 -3.985) 11.909 9.719 ( -5.326 -6.224 5.864) 10.074 10.353 ( 6.742 5.403 1.678) 8.801 10.552 ( 0.510 6.066 1.039) 6.175 10.661 ( -3.074 4.508 0.620) 5.491 10.885 ( -3.367 -1.772 -1.716) 4.174 11.399 ( 4.965 -2.934 -3.014) 6.507 11.619 ( -3.067 0.667 0.640) 3.204 12.205 ( -3.440 -15.618 -16.464) 22.953 13.620 ( -12.003 6.995 24.933) 28.542 14.388 ( -0.639 -13.292 0.586) 13.321 21.535 ( 12.647 -0.480 2.542) 12.909 22.500 ( 1.328 3.601 -4.363) 5.811 22.769 ( 11.811 9.394 -2.003) 15.223 23.612 ( 15.772 10.777 -20.600) 28.093 25.213 ( 6.752 -4.813 -1.596) 8.444 25.709 ( -1.088 -16.096 -15.243) 22.195 26.475 ( -6.863 4.034 7.825) 11.163 26.718 ( -11.664 -4.397 14.089) 18.811======================= Grid point 128 (40/180) =======================q-point: ( 0.27 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.701 ( 19.222 -15.182 6.496) 25.341 1.922 ( 14.015 -22.782 4.239) 27.081 2.581 ( 0.684 -0.455 -0.114) 0.829 3.142 ( 36.776 -10.992 1.301) 38.405 3.481 ( 2.366 -2.039 -4.178) 5.216 3.548 ( -2.212 -0.302 0.963) 2.431 3.780 ( -5.017 2.543 -1.748) 5.890 4.396 ( -0.421 0.659 0.531) 0.945 4.604 ( 2.133 -3.535 5.251) 6.680 4.850 ( 10.358 19.147 6.894) 22.835 5.528 ( 14.969 -2.558 -7.133) 16.778 5.876 ( 15.801 -0.007 9.516) 18.445 6.075 ( 20.401 2.603 0.536) 20.573 6.665 ( 4.454 5.648 -8.790) 11.358 7.160 ( -7.582 9.190 -11.006) 16.220 7.400 ( -7.840 0.131 -4.184) 8.888 8.361 ( -12.862 16.446 6.913) 21.993 9.444 ( -9.121 -6.927 -5.081) 12.530 9.714 ( -3.845 -6.500 4.707) 8.899 10.375 ( -1.885 2.982 -0.508) 3.564 10.456 ( -1.584 4.085 -2.252) 4.926 10.615 ( 5.147 7.213 5.073) 10.211 10.848 ( -3.762 -2.479 -1.823) 4.860 11.482 ( 2.763 -0.355 -2.526) 3.761 11.571 ( -2.143 0.003 1.433) 2.578 12.295 ( -1.908 -9.167 -15.768) 18.338 13.411 ( -6.283 4.674 20.607) 22.044 14.519 ( -0.287 -11.193 -1.506) 11.298 21.755 ( 13.178 0.496 2.611) 13.443 22.472 ( -1.863 0.219 -2.608) 3.213 22.856 ( 7.459 3.509 -0.635) 8.267 23.657 ( 7.045 11.848 -9.495) 16.738 25.379 ( 6.507 -4.307 -1.306) 7.912 25.846 ( -0.007 -10.522 -13.356) 17.003 26.345 ( -4.870 1.847 5.317) 7.443 26.602 ( -7.671 -2.605 10.317) 13.117======================= Grid point 129 (41/180) =======================q-point: ( 0.36 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.156 ( 16.949 -10.425 6.248) 20.856 2.347 ( 9.950 -16.793 -0.524) 19.527 2.613 ( 2.943 -2.645 4.371) 5.896 3.292 ( -10.608 0.815 0.479) 10.650 3.556 ( 1.988 -0.138 -5.255) 5.620 3.657 ( -2.901 2.531 -5.835) 6.991 3.941 ( 26.774 -5.504 1.872) 27.398 4.283 ( -7.106 1.519 2.615) 7.723 4.566 ( -2.480 4.843 14.228) 15.233 5.009 ( 19.144 1.791 -1.761) 19.308 5.770 ( 5.616 -6.663 -5.036) 10.065 6.105 ( 17.227 4.100 7.334) 19.167 6.439 ( 20.512 0.412 -5.158) 21.155 6.609 ( -2.771 6.141 -3.818) 7.744 6.931 ( -4.969 10.027 -10.170) 15.121 7.193 ( -15.237 2.332 -1.736) 15.511 8.067 ( -5.847 8.129 9.241) 13.626 9.384 ( -6.220 -5.227 -4.949) 9.514 9.735 ( -2.846 -7.227 2.885) 8.285 10.219 ( -7.115 5.743 -1.236) 9.227 10.447 ( 1.280 1.696 -2.483) 3.268 10.644 ( 6.131 5.237 6.031) 10.070 10.819 ( -3.220 -2.686 -2.472) 4.868 11.507 ( 1.175 1.077 -2.038) 2.588 11.547 ( -1.244 -0.423 1.867) 2.283 12.350 ( -0.941 -5.019 -14.786) 15.643 13.292 ( -3.486 2.544 18.507) 19.004 14.619 ( -0.073 -7.209 -2.855) 7.755 21.940 ( 9.843 1.269 2.095) 10.143 22.440 ( -2.275 -0.809 -2.004) 3.138 22.935 ( 4.440 0.189 0.195) 4.448 23.623 ( 3.033 8.269 -4.996) 10.126 25.511 ( 4.213 -3.061 -1.016) 5.306 25.948 ( 1.206 -6.116 -11.328) 12.929 26.263 ( -3.019 1.668 3.149) 4.670 26.519 ( -5.154 -1.785 8.998) 10.522======================= Grid point 130 (42/180) =======================q-point: ( 0.45 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.396 ( 3.623 -1.773 7.145) 8.205 2.647 ( 8.279 -8.978 -0.728) 12.235 2.763 ( 8.718 -4.176 5.685) 11.215 3.063 ( -13.181 3.019 2.605) 13.771 3.513 ( -1.604 2.961 -14.055) 14.453 3.650 ( 0.668 -0.890 -1.081) 1.551 4.110 ( -3.538 -0.809 -1.518) 3.934 4.275 ( 3.970 3.104 17.127) 17.853 4.565 ( 5.478 1.364 -1.906) 5.959 5.352 ( 16.565 -6.404 0.895) 17.782 5.770 ( -10.222 0.080 -2.230) 10.463 6.363 ( 15.617 2.311 -3.325) 16.134 6.515 ( 0.116 2.676 -0.527) 2.730 6.642 ( 4.476 1.940 -6.459) 8.094 6.825 ( -2.233 1.551 -1.816) 3.269 6.903 ( -11.145 2.551 -1.205) 11.497 7.960 ( -1.314 2.036 9.845) 10.139 9.354 ( -2.149 -1.925 -4.581) 5.414 9.774 ( -1.082 -4.718 1.424) 5.046 10.067 ( -3.073 4.197 -0.604) 5.237 10.445 ( 0.228 0.625 -3.559) 3.621 10.683 ( 2.987 2.146 7.793) 8.618 10.801 ( -1.634 -1.467 -4.095) 4.647 11.509 ( 0.411 0.718 -1.997) 2.161 11.536 ( -0.514 -0.325 2.354) 2.431 12.377 ( -0.299 -1.624 -14.078) 14.175 13.235 ( -1.161 0.792 17.581) 17.637 14.673 ( -0.001 -2.470 -3.525) 4.305 22.042 ( 3.674 0.729 1.547) 4.052 22.419 ( -1.021 -0.492 -1.778) 2.109 22.989 ( 1.522 -0.450 0.645) 1.713 23.589 ( 0.825 3.065 -3.349) 4.614 25.582 ( 1.411 -1.125 -1.016) 2.071 26.019 ( 1.132 -2.428 -11.702) 12.005 26.206 ( -1.522 1.216 4.006) 4.455 26.475 ( -1.822 -0.758 8.293) 8.524======================= Grid point 137 (43/180) =======================q-point: ( 0.09 0.09 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.007 ( 23.013 -0.000 13.216) 26.538 1.035 ( 22.063 -0.000 14.745) 26.537 2.091 ( 51.882 -0.000 11.609) 53.165 2.597 ( -0.405 0.000 -1.324) 1.384 3.388 ( 0.953 -0.000 -4.475) 4.575 3.625 ( -2.651 0.000 -12.315) 12.597 3.864 ( 0.483 -0.000 0.681) 0.835 4.408 ( 6.108 -0.000 2.733) 6.692 4.473 ( 4.745 -0.000 -3.706) 6.020 5.189 ( 8.127 -0.000 13.712) 15.939 5.206 ( 14.225 -0.000 -7.219) 15.952 5.595 ( 10.838 -0.000 2.289) 11.077 5.952 ( 8.203 -0.000 11.047) 13.759 6.816 ( 11.959 -0.000 -34.740) 36.741 7.257 ( -2.861 0.000 -7.517) 8.043 7.462 ( -2.363 0.000 -1.861) 3.008 9.192 ( -17.701 0.000 0.057) 17.701 9.348 ( -16.612 0.000 2.450) 16.792 9.655 ( -2.033 0.000 3.481) 4.031 10.460 ( 2.140 -0.000 -1.096) 2.405 10.623 ( -8.345 0.000 -1.789) 8.534 10.703 ( 2.873 -0.000 6.203) 6.836 10.862 ( -3.644 0.000 -2.228) 4.271 11.361 ( 7.290 -0.000 -2.972) 7.872 11.732 ( 3.451 -0.000 -2.422) 4.216 11.840 ( 0.027 -0.000 -1.234) 1.234 13.763 ( -11.564 0.000 20.805) 23.803 14.171 ( -0.412 0.000 2.030) 2.072 21.530 ( 13.469 -0.000 2.801) 13.757 22.487 ( -4.691 0.000 -1.053) 4.807 22.972 ( 2.280 -0.000 -2.019) 3.045 23.851 ( 27.781 -0.000 -53.123) 59.949 25.166 ( 10.308 -0.000 -5.077) 11.491 25.396 ( -0.345 0.000 -2.713) 2.735 26.584 ( -15.510 0.000 27.921) 31.940 26.599 ( -4.262 0.000 4.230) 6.005======================= Grid point 138 (44/180) =======================q-point: ( 0.18 0.09 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.442 ( 24.337 -6.238 8.035) 26.377 1.502 ( 22.963 -12.386 8.325) 27.387 2.579 ( -0.807 0.151 0.997) 1.292 2.949 ( 45.442 -5.073 4.245) 45.921 3.441 ( 4.192 -1.098 -3.349) 5.477 3.549 ( -5.527 0.123 -1.703) 5.784 3.820 ( -3.785 0.928 -1.413) 4.145 4.420 ( -6.258 1.525 0.705) 6.480 4.547 ( 5.968 -1.736 4.359) 7.591 5.260 ( 10.242 13.342 5.366) 17.655 5.438 ( 8.942 -4.045 -6.254) 11.638 5.894 ( 21.682 0.590 4.790) 22.213 6.124 ( 15.544 1.423 3.231) 15.940 6.813 ( -1.017 6.664 -14.469) 15.962 7.227 ( -5.245 -2.150 -8.754) 10.429 7.393 ( -6.763 -0.378 -3.660) 7.700 8.748 ( -18.309 16.746 1.733) 24.873 9.203 ( -14.152 -13.241 -2.293) 19.516 9.632 ( -1.457 -0.925 4.232) 4.570 10.442 ( -4.383 3.148 -0.110) 5.398 10.504 ( -2.799 -0.505 -2.705) 3.925 10.731 ( 2.739 2.677 7.147) 8.108 10.799 ( -4.639 -1.442 -2.303) 5.376 11.476 ( 5.690 -0.247 -2.172) 6.095 11.680 ( 2.853 10.509 -0.059) 10.889 12.005 ( 1.259 -16.052 -6.032) 17.194 13.589 ( -3.851 8.993 13.660) 16.802 14.239 ( -0.008 -11.137 0.219) 11.140 21.771 ( 15.160 0.645 3.193) 15.506 22.411 ( -6.073 -2.703 -0.405) 6.659 22.982 ( 2.877 4.128 -2.303) 5.533 23.996 ( 6.432 14.282 -23.982) 28.643 25.333 ( 8.665 1.622 -3.377) 9.440 25.532 ( 4.232 -15.350 -12.181) 20.048 26.396 ( -5.861 2.171 17.261) 18.358 26.533 ( -6.372 -2.780 7.472) 10.206======================= Grid point 139 (45/180) =======================q-point: ( 0.27 0.09 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.927 ( 23.422 -8.646 6.167) 25.717 2.008 ( 19.926 -12.492 1.608) 23.573 2.576 ( 0.823 -0.863 5.335) 5.467 3.310 ( -8.569 0.709 -0.093) 8.599 3.531 ( 5.174 -0.972 -2.722) 5.927 3.735 ( -1.497 3.031 -5.926) 6.822 3.811 ( 32.412 -5.594 3.231) 33.049 4.269 ( -9.203 -1.120 2.056) 9.496 4.620 ( 1.366 1.499 11.035) 11.220 5.252 ( 8.800 14.706 -0.956) 17.164 5.589 ( 1.697 -8.067 -3.475) 8.947 6.207 ( 19.512 4.055 5.306) 20.623 6.436 ( 19.262 -0.569 -4.836) 19.868 6.713 ( -4.229 3.443 -5.280) 7.590 7.110 ( -6.770 4.825 -8.345) 11.779 7.224 ( -13.948 0.413 -3.327) 14.346 8.304 ( -13.636 12.988 4.726) 19.416 9.145 ( -11.082 -14.233 -4.629) 18.623 9.630 ( -0.486 -2.002 4.956) 5.367 10.300 ( -7.717 1.446 0.135) 7.852 10.494 ( 0.769 2.023 -3.501) 4.116 10.735 ( -1.222 0.871 5.699) 5.893 10.758 ( -0.201 -0.773 -0.419) 0.902 11.543 ( 3.146 1.389 -1.868) 3.913 11.627 ( 3.340 8.185 0.760) 8.872 12.181 ( 1.862 -10.792 -8.643) 13.951 13.440 ( -0.903 10.445 12.218) 16.099 14.383 ( 0.425 -12.931 -1.710) 13.051 21.985 ( 11.731 2.565 2.635) 12.294 22.357 ( -5.163 -5.061 -0.239) 7.234 22.984 ( 1.951 2.714 -1.559) 3.688 23.889 ( 1.327 13.907 -10.740) 17.621 25.443 ( 4.123 -2.785 -1.268) 5.135 25.770 ( 6.845 -9.070 -14.122) 18.126 26.308 ( -2.543 2.296 8.688) 9.339 26.462 ( -5.538 -2.998 9.393) 11.309======================= Grid point 140 (46/180) =======================q-point: ( 0.36 0.09 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.328 ( 10.466 -4.249 4.276) 12.077 2.431 ( 19.218 -9.484 -0.712) 21.442 2.672 ( 9.474 -3.051 8.368) 13.003 3.104 ( -13.010 1.071 4.301) 13.744 3.600 ( 1.464 2.330 -6.990) 7.512 3.654 ( -0.662 2.449 -7.519) 7.936 4.077 ( -4.260 -0.689 0.872) 4.403 4.374 ( 13.926 2.363 5.273) 15.077 4.586 ( -0.433 0.871 9.138) 9.190 5.287 ( 9.750 2.531 -1.557) 10.193 5.671 ( -3.727 -8.190 -1.389) 9.105 6.444 ( 11.629 4.229 -3.838) 12.956 6.593 ( -2.076 3.680 -1.001) 4.343 6.682 ( 7.515 1.174 -4.811) 9.000 6.871 ( -16.950 2.413 -0.990) 17.150 6.989 ( -7.810 4.365 -4.517) 10.022 8.035 ( -7.041 5.093 7.535) 11.501 9.154 ( -6.876 -14.066 -5.281) 16.523 9.669 ( 2.127 -3.136 4.008) 5.516 10.173 ( -4.327 3.215 0.337) 5.401 10.475 ( -0.322 1.892 -3.971) 4.411 10.690 ( -4.350 -1.735 2.780) 5.446 10.787 ( 2.686 0.514 2.190) 3.503 11.556 ( 1.511 2.839 -1.957) 3.765 11.607 ( 3.988 6.640 1.419) 7.874 12.309 ( 2.836 -5.330 -10.433) 12.054 13.334 ( 1.056 8.558 13.056) 15.647 14.524 ( 0.559 -10.473 -2.940) 10.892 22.076 ( 2.588 2.354 1.567) 3.834 22.361 ( -1.091 -4.280 -0.732) 4.477 22.989 ( 0.850 0.415 -0.090) 0.950 23.755 ( -0.791 10.609 -5.578) 12.012 25.529 ( 2.013 -3.368 -1.061) 4.064 25.951 ( 6.606 -3.454 -12.193) 14.291 26.240 ( -2.980 1.847 4.530) 5.729 26.433 ( -1.584 -2.764 9.437) 9.960======================= Grid point 141 (47/180) =======================q-point: ( 0.45 0.09 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.416 ( 0.404 0.130 5.768) 5.784 2.776 ( 11.023 0.826 0.810) 11.084 2.831 ( -5.984 2.791 7.360) 9.888 2.966 ( 9.670 -4.791 1.042) 10.842 3.527 ( -1.454 4.051 -14.203) 14.841 3.673 ( 1.800 1.019 -0.976) 2.287 4.051 ( -0.514 -3.767 1.402) 4.052 4.348 ( -3.810 7.775 15.420) 17.685 4.551 ( -6.356 0.051 -4.146) 7.589 5.428 ( -5.864 -1.243 0.819) 6.050 5.708 ( 9.211 -4.116 -2.800) 10.470 6.353 ( -19.583 1.425 -3.177) 19.890 6.493 ( -5.276 0.738 -0.054) 5.328 6.618 ( -5.924 -0.318 -6.950) 9.137 6.810 ( -6.035 0.389 -2.408) 6.509 6.892 ( 10.431 1.374 0.762) 10.549 7.931 ( -3.212 -0.586 9.183) 9.747 9.222 ( -3.008 -12.421 -4.800) 13.652 9.777 ( 6.394 -3.134 1.942) 7.380 10.089 ( -0.605 4.233 0.182) 4.280 10.450 ( -0.517 1.032 -3.556) 3.739 10.626 ( -6.259 -2.447 2.713) 7.247 10.827 ( 2.916 0.747 1.276) 3.269 11.542 ( 1.185 3.293 -2.252) 4.162 11.606 ( 4.065 5.693 2.050) 7.289 12.395 ( 3.608 -0.541 -12.374) 12.901 13.287 ( 2.878 5.764 15.115) 16.431 14.628 ( 0.502 -6.416 -3.441) 7.297 22.042 ( -4.080 0.674 1.167) 4.297 22.385 ( -1.432 -3.000 -1.898) 3.827 23.000 ( 0.594 0.277 1.162) 1.334 23.634 ( -2.320 6.348 -3.393) 7.563 25.577 ( 0.298 -1.446 -0.886) 1.722 26.057 ( 3.612 1.080 -10.643) 11.291 26.187 ( -0.984 -0.432 4.179) 4.315 26.465 ( 2.196 -1.544 7.305) 7.783======================= Grid point 142 (48/180) =======================q-point: (-0.45 0.09 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.339 ( -7.486 5.751 6.391) 11.400 2.648 ( -4.973 4.827 2.275) 7.294 2.750 ( -2.341 13.528 0.232) 13.731 3.265 ( 14.678 -2.441 1.886) 14.999 3.511 ( 0.938 -1.602 -11.974) 12.117 3.674 ( 1.137 2.516 -0.956) 2.922 4.050 ( -24.642 4.162 1.052) 25.013 4.145 ( 2.512 -8.986 5.999) 11.093 4.509 ( 4.505 1.923 7.431) 8.900 5.139 ( -17.793 8.586 0.691) 19.768 5.830 ( -14.086 -1.169 -5.328) 15.106 6.060 ( -5.462 -0.578 7.000) 8.898 6.420 ( -21.664 -1.242 -5.645) 22.422 6.449 ( -2.220 -6.877 -2.722) 7.722 6.743 ( -0.398 -5.710 -9.923) 11.455 7.134 ( 14.242 -2.513 1.458) 14.535 7.928 ( -0.643 -4.860 9.943) 11.086 9.324 ( 0.238 -9.937 -4.216) 10.797 9.897 ( 6.057 4.517 0.670) 7.586 10.097 ( 4.660 -3.086 -0.339) 5.599 10.435 ( -0.272 0.711 -2.032) 2.170 10.537 ( -8.390 -3.641 2.200) 9.407 10.865 ( 3.156 1.500 0.435) 3.522 11.527 ( 1.279 2.947 -2.682) 4.184 11.613 ( 3.949 5.062 2.328) 6.829 12.440 ( 3.752 3.273 -14.945) 15.752 13.302 ( 4.836 3.117 18.060) 18.955 14.681 ( 0.444 -1.771 -3.274) 3.749 21.932 ( -8.303 0.589 1.359) 8.434 22.379 ( -4.680 -5.142 -2.768) 7.484 22.989 ( 0.479 3.682 1.537) 4.018 23.544 ( -3.493 0.962 -2.738) 4.542 25.566 ( -1.515 1.715 -0.665) 2.383 26.041 ( -1.314 2.556 -4.467) 5.312 26.235 ( 4.320 -0.827 -1.443) 4.630 26.534 ( 4.809 -0.382 6.006) 7.703======================= Grid point 143 (49/180) =======================q-point: (-0.36 0.09 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.043 ( -13.030 14.205 6.087) 20.214 2.433 ( -8.305 22.111 0.896) 23.636 2.598 ( -1.563 0.911 -1.106) 2.120 3.368 ( -15.344 7.602 -4.467) 17.697 3.525 ( -12.026 3.240 -1.322) 12.525 3.568 ( 2.686 0.261 0.523) 2.749 3.724 ( 4.246 -1.491 -1.701) 4.810 4.266 ( -7.355 -12.396 7.226) 16.123 4.610 ( 7.960 1.149 7.287) 10.853 4.762 ( -11.274 9.142 0.022) 14.514 5.500 ( -22.600 -4.346 -0.681) 23.025 5.937 ( -10.620 4.949 6.336) 13.320 6.015 ( -24.236 -2.687 -1.443) 24.427 6.537 ( -2.242 -7.050 -6.301) 9.718 6.887 ( 4.779 -12.618 -12.141) 18.151 7.372 ( 9.596 -2.638 -3.123) 10.430 8.043 ( 4.425 -11.961 10.749) 16.679 9.447 ( 3.005 -7.220 -4.158) 8.857 9.891 ( 3.679 8.003 2.268) 9.096 10.278 ( 7.695 -6.273 -2.042) 10.136 10.406 ( -2.785 1.536 -0.945) 3.317 10.450 ( -7.343 -6.744 2.757) 10.344 10.900 ( 3.433 2.105 -0.226) 4.033 11.515 ( 0.854 2.916 -3.178) 4.397 11.627 ( 4.129 4.282 1.968) 6.266 12.449 ( 3.456 5.774 -18.249) 19.451 13.378 ( 7.128 0.854 21.782) 22.934 14.682 ( 0.487 2.992 -2.502) 3.931 21.759 ( -11.258 0.952 1.797) 11.440 22.343 ( -9.027 -8.504 -3.559) 12.902 22.931 ( 0.256 7.696 1.448) 7.835 23.494 ( -4.442 -3.497 -3.377) 6.585 25.489 ( -3.175 5.049 -0.564) 5.991 25.989 ( -1.067 3.019 -3.578) 4.802 26.321 ( 5.162 -0.352 -2.911) 5.936 26.633 ( 7.032 0.187 5.965) 9.223======================= Grid point 144 (50/180) =======================q-point: (-0.27 0.09 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.633 ( -12.752 19.970 6.725) 24.630 1.969 ( -17.575 22.407 3.928) 28.747 2.521 ( -10.726 9.061 -3.266) 14.416 2.750 ( -20.600 14.018 6.194) 25.676 3.486 ( 0.112 1.364 -7.644) 7.765 3.622 ( 4.436 1.337 -6.906) 8.316 3.839 ( 2.648 -1.051 5.358) 6.068 4.054 ( -24.464 -8.449 1.638) 25.934 4.615 ( -5.106 4.733 -2.662) 7.454 4.737 ( 5.797 -4.264 9.640) 12.030 5.233 ( -15.374 -3.590 3.175) 16.103 5.619 ( -13.652 -0.169 -0.495) 13.662 5.805 ( -10.182 -1.151 9.128) 13.723 6.468 ( -12.301 -2.816 -10.298) 16.288 7.125 ( 4.133 -14.313 -11.175) 18.624 7.490 ( 3.429 -0.043 -3.943) 5.225 8.353 ( 10.314 -20.339 8.557) 24.357 9.576 ( 4.648 -3.812 -4.674) 7.615 9.873 ( 4.395 6.714 4.411) 9.157 10.288 ( -6.926 0.049 -1.165) 7.023 10.407 ( -3.748 -5.513 2.593) 7.153 10.516 ( 5.423 -7.853 -0.704) 9.570 10.931 ( 3.115 2.223 -0.659) 3.883 11.480 ( -0.561 4.333 -3.517) 5.608 11.657 ( 4.507 3.151 0.871) 5.568 12.433 ( 3.458 7.022 -22.282) 23.617 13.526 ( 10.441 -2.031 26.352) 28.417 14.632 ( 0.552 7.512 -1.232) 7.633 21.553 ( -11.547 1.187 2.013) 11.781 22.251 ( -16.162 -11.324 -4.665) 20.278 22.838 ( 0.464 9.389 1.283) 9.487 23.459 ( -5.488 -4.260 -5.476) 8.846 25.357 ( -3.854 7.541 -0.588) 8.489 25.936 ( -0.160 4.975 -5.671) 7.545 26.416 ( 5.053 -1.404 -2.162) 5.672 26.766 ( 9.449 0.126 6.645) 11.552======================= Grid point 145 (51/180) =======================q-point: (-0.18 0.09 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.188 ( -12.736 22.358 8.082) 26.971 1.370 ( -23.582 20.128 10.619) 32.772 1.924 ( -14.408 36.422 12.012) 40.968 2.605 ( -1.566 0.707 -2.891) 3.363 3.479 ( 1.955 3.389 -6.236) 7.362 3.584 ( -25.623 -3.688 -2.764) 26.034 3.674 ( 2.072 -0.471 -13.637) 13.801 4.025 ( 2.114 -6.710 13.007) 14.788 4.396 ( -12.592 4.011 -6.259) 14.623 4.860 ( 1.222 -5.000 4.569) 6.882 5.057 ( -6.305 -0.366 8.583) 10.656 5.535 ( -4.526 -1.504 -2.261) 5.278 5.686 ( -2.380 -0.548 15.125) 15.321 6.214 ( -19.469 -0.741 -13.418) 23.657 7.317 ( 1.899 -10.719 -11.547) 15.869 7.512 ( 0.468 1.035 -1.728) 2.068 8.788 ( 9.927 -25.399 7.326) 28.237 9.666 ( 3.698 0.992 -5.133) 6.403 9.895 ( 5.798 4.192 4.458) 8.430 10.160 ( -8.484 -0.290 2.262) 8.785 10.420 ( -3.266 -8.438 3.887) 9.847 10.678 ( 3.908 -6.171 -2.142) 7.612 10.949 ( 1.780 2.020 -0.974) 2.863 11.397 ( -1.732 6.706 -3.843) 7.921 11.699 ( 3.560 1.960 -0.319) 4.077 12.410 ( 3.691 8.271 -27.340) 28.801 13.792 ( 14.849 -8.949 30.812) 35.355 14.536 ( 0.526 11.057 0.471) 11.080 21.372 ( -8.192 0.990 1.857) 8.458 22.030 ( -24.897 -9.396 -5.409) 27.155 22.747 ( 0.731 8.703 1.053) 8.797 23.392 ( -5.532 0.292 -9.123) 10.674 25.211 ( -2.703 8.161 -0.444) 8.608 25.863 ( 0.388 8.941 -10.150) 13.532 26.516 ( 3.333 -3.739 0.136) 5.011 26.951 ( 11.373 -2.282 6.665) 13.378======================= Grid point 146 (52/180) =======================q-point: (-0.09 0.09 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.772 ( 0.000 19.096 15.588) 24.651 0.911 ( 0.000 24.090 18.223) 30.206 1.361 ( 0.000 40.583 20.309) 45.381 2.587 ( 0.000 0.214 -3.584) 3.591 3.297 ( 0.000 1.002 0.781) 1.270 3.472 ( 0.000 3.226 -4.217) 5.310 3.698 ( -0.000 -1.141 -18.247) 18.282 4.162 ( -0.000 -14.328 22.120) 26.355 4.219 ( 0.000 3.629 -10.060) 10.695 4.885 ( -0.000 -2.467 -5.585) 6.106 5.046 ( 0.000 0.658 17.174) 17.186 5.426 ( 0.000 0.231 -2.582) 2.592 5.727 ( 0.000 1.253 20.751) 20.789 5.955 ( 0.000 5.958 -16.405) 17.454 7.412 ( -0.000 -2.493 -14.270) 14.486 7.499 ( 0.000 1.260 -0.240) 1.283 9.190 ( -0.000 -28.184 8.601) 29.467 9.669 ( 0.000 3.168 -3.503) 4.723 9.985 ( -0.000 -2.203 -1.195) 2.506 10.020 ( 0.000 1.067 12.006) 12.053 10.490 ( -0.000 -8.507 4.216) 9.495 10.770 ( -0.000 -4.099 -2.873) 5.006 10.942 ( 0.000 1.772 -1.550) 2.354 11.297 ( 0.000 7.127 -3.998) 8.172 11.715 ( 0.000 1.224 -0.770) 1.446 12.332 ( 0.000 14.779 -31.442) 34.743 14.149 ( -0.000 -19.635 25.905) 32.505 14.424 ( 0.000 7.977 5.074) 9.454 21.286 ( 0.000 0.491 1.840) 1.904 21.750 ( 0.000 2.196 -2.137) 3.064 22.669 ( 0.000 6.472 0.881) 6.531 23.279 ( 0.000 10.170 -13.470) 16.879 25.105 ( 0.000 6.206 0.001) 6.206 25.735 ( 0.000 15.358 -15.084) 21.527 26.596 ( -0.000 -5.071 2.859) 5.821 27.143 ( -0.000 -8.302 4.395) 9.394======================= Grid point 149 (53/180) =======================q-point: ( 0.18 0.18 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.828 ( 24.851 -0.000 7.480) 25.952 1.853 ( 25.912 -0.000 1.693) 25.967 2.568 ( 0.442 -0.000 5.675) 5.693 3.319 ( -7.491 0.000 -0.089) 7.491 3.522 ( 5.760 -0.000 -2.214) 6.171 3.737 ( 36.674 -0.000 5.905) 37.146 3.771 ( -2.645 0.000 -7.174) 7.646 4.258 ( -11.208 0.000 1.736) 11.341 4.644 ( 4.967 -0.000 8.994) 10.274 5.464 ( 3.016 -0.000 -0.168) 3.021 5.468 ( -0.117 0.000 -3.454) 3.456 6.256 ( 20.016 -0.000 4.498) 20.515 6.426 ( 18.408 -0.000 -4.980) 19.070 6.756 ( -6.500 0.000 -6.512) 9.201 7.153 ( -3.780 0.000 -6.625) 7.628 7.224 ( -14.020 0.000 -3.608) 14.476 8.536 ( -19.979 0.000 0.583) 19.988 8.897 ( -10.074 0.000 -2.068) 10.284 9.619 ( 0.275 -0.000 4.915) 4.922 10.308 ( -8.806 0.000 0.632) 8.829 10.518 ( 1.093 -0.000 -3.995) 4.142 10.710 ( -4.827 0.000 -2.203) 5.306 10.778 ( 1.639 -0.000 8.614) 8.768 11.559 ( 4.004 -0.000 -1.773) 4.379 11.860 ( 1.498 -0.000 -0.805) 1.700 11.918 ( 7.392 -0.000 -3.613) 8.228 13.623 ( 0.118 -0.000 7.648) 7.649 14.176 ( 0.779 -0.000 -0.543) 0.949 22.025 ( 13.984 -0.000 2.946) 14.291 22.285 ( -6.736 0.000 0.196) 6.739 23.017 ( -0.279 0.000 -1.955) 1.975 24.087 ( -2.876 0.000 -15.502) 15.766 25.405 ( 1.266 -0.000 -1.603) 2.043 25.641 ( 14.928 -0.000 -12.444) 19.434 26.347 ( -1.583 0.000 15.728) 15.808 26.413 ( -6.522 0.000 4.195) 7.754======================= Grid point 150 (54/180) =======================q-point: ( 0.27 0.18 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.244 ( 17.795 -2.227 0.133) 17.934 2.267 ( 22.988 -4.473 1.255) 23.453 2.636 ( 9.597 -0.520 11.284) 14.822 3.119 ( -13.694 0.295 4.993) 14.579 3.615 ( 5.183 0.201 -2.095) 5.594 3.719 ( -2.306 1.812 -10.921) 11.308 4.084 ( -7.213 0.819 1.329) 7.380 4.327 ( 25.770 -3.560 0.265) 26.016 4.668 ( -0.234 4.454 13.035) 13.777 5.398 ( -2.810 4.398 -2.952) 5.996 5.480 ( -3.326 -6.594 -1.118) 7.470 6.517 ( 10.664 1.887 -4.533) 11.740 6.657 ( -2.923 1.712 -1.466) 3.691 6.692 ( 11.989 -0.036 -2.784) 12.308 6.913 ( -22.380 0.992 -1.280) 22.438 7.062 ( -6.808 1.702 -5.314) 8.802 8.181 ( -15.018 6.506 3.606) 16.759 8.840 ( -6.218 -11.011 -4.168) 13.314 9.641 ( 2.708 0.028 5.840) 6.438 10.196 ( -4.730 -0.348 0.918) 4.831 10.514 ( -0.897 1.223 -4.699) 4.938 10.645 ( -4.061 -1.455 -1.768) 4.662 10.801 ( 1.746 0.393 8.485) 8.672 11.604 ( 2.308 1.165 -1.850) 3.179 11.813 ( 4.582 10.592 -0.091) 11.541 12.128 ( 6.112 -9.869 -4.821) 12.570 13.579 ( 2.396 10.488 6.416) 12.526 14.260 ( 1.110 -10.575 -1.710) 10.770 22.145 ( -0.560 3.679 1.022) 3.859 22.254 ( 2.659 -4.710 0.578) 5.439 22.999 ( -0.948 0.311 -0.559) 1.143 23.975 ( -4.667 6.736 -8.773) 12.005 25.454 ( 2.568 -2.567 -0.892) 3.739 25.885 ( 12.105 -1.909 -11.318) 16.681 26.287 ( -4.865 2.139 5.023) 7.313 26.367 ( -0.407 -2.766 10.073) 10.453======================= Grid point 151 (55/180) =======================q-point: ( 0.36 0.18 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.409 ( 3.628 -0.549 1.335) 3.905 2.704 ( 20.311 -4.938 4.075) 21.296 2.886 ( 7.448 1.713 7.037) 10.389 2.901 ( -1.207 -1.096 4.037) 4.353 3.637 ( -1.874 4.394 -12.369) 13.259 3.692 ( 2.865 0.640 -2.667) 3.966 3.999 ( -2.834 -0.997 1.919) 3.565 4.472 ( -15.467 -0.549 4.678) 16.168 4.621 ( 8.035 9.030 5.986) 13.488 5.366 ( -1.872 -2.265 -1.504) 3.301 5.568 ( 6.381 -8.434 -1.964) 10.757 6.422 ( -22.751 4.175 -1.991) 23.216 6.532 ( -9.423 2.072 -0.979) 9.697 6.606 ( -6.980 -1.050 -7.425) 10.245 6.837 ( -4.797 1.670 -1.148) 5.207 6.942 ( 5.639 2.436 -0.275) 6.149 7.939 ( -8.966 1.327 6.722) 11.284 8.905 ( -2.983 -13.586 -5.082) 14.809 9.722 ( 6.403 -1.355 5.050) 8.266 10.147 ( -1.642 0.688 0.416) 1.828 10.473 ( -2.483 0.494 -3.746) 4.522 10.594 ( -3.486 -0.265 -0.711) 3.567 10.836 ( 2.884 0.145 5.881) 6.552 11.615 ( 1.777 2.597 -2.249) 3.868 11.783 ( 5.283 9.790 0.873) 11.159 12.320 ( 6.036 -6.305 -6.817) 11.075 13.499 ( 3.888 12.448 7.906) 15.251 14.410 ( 1.043 -12.099 -2.657) 12.432 22.067 ( -4.363 1.349 0.567) 4.602 22.312 ( -2.383 -3.035 -1.385) 4.100 23.001 ( 1.687 -0.057 1.464) 2.234 23.809 ( -5.249 7.726 -5.000) 10.595 25.530 ( 2.858 -2.333 -0.395) 3.711 26.069 ( 8.400 0.135 -9.425) 12.626 26.187 ( -4.555 0.311 4.394) 6.337 26.418 ( 3.010 -2.204 6.758) 7.719======================= Grid point 152 (56/180) =======================q-point: (-0.55 0.18 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.425 ( -0.980 2.405 4.587) 5.271 2.682 ( -8.835 -0.398 5.975) 10.674 3.032 ( 9.551 9.502 -1.037) 13.512 3.166 ( 17.524 -5.022 2.612) 18.416 3.547 ( -2.040 3.931 -12.948) 13.685 3.723 ( 2.082 1.487 -0.941) 2.726 3.996 ( -1.504 -3.537 5.578) 6.774 4.106 ( -26.153 0.569 1.108) 26.183 4.636 ( 8.568 8.730 6.923) 14.055 5.257 ( -11.935 1.519 -1.055) 12.077 5.756 ( -10.154 -5.409 -7.180) 13.562 6.038 ( -5.307 -0.782 7.488) 9.211 6.356 ( -14.946 -1.506 -2.094) 15.167 6.397 ( -18.517 -0.723 -4.816) 19.147 6.686 ( -4.547 0.058 -9.638) 10.657 7.098 ( 10.194 -0.593 4.391) 11.115 7.837 ( -5.401 -3.439 7.736) 10.042 9.030 ( -0.853 -14.187 -4.771) 14.992 9.881 ( 9.182 -3.108 2.875) 10.111 10.105 ( -2.296 1.150 0.140) 2.572 10.417 ( -6.142 -2.512 -0.855) 6.690 10.548 ( 1.006 3.950 -1.427) 4.319 10.888 ( 3.714 0.634 3.150) 4.911 11.611 ( 2.125 3.754 -2.843) 5.166 11.766 ( 4.932 8.728 1.722) 10.172 12.465 ( 5.824 -1.938 -9.815) 11.577 13.444 ( 4.938 10.067 11.329) 15.940 14.549 ( 0.814 -9.664 -3.023) 10.158 21.963 ( -6.510 2.040 0.515) 6.842 22.259 ( -8.397 -5.124 -2.263) 10.094 23.048 ( 4.276 1.408 1.984) 4.920 23.637 ( -5.912 6.201 -2.914) 9.050 25.586 ( 2.180 0.205 -0.018) 2.189 26.077 ( -3.488 0.973 1.240) 3.828 26.223 ( 6.069 -0.314 -4.244) 7.413 26.508 ( 5.051 -1.680 3.396) 6.314======================= Grid point 153 (57/180) =======================q-point: (-0.45 0.18 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.293 ( -7.306 8.079 6.600) 12.736 2.606 ( -2.342 -0.591 -0.287) 2.433 2.870 ( -9.455 16.625 -1.203) 19.163 3.477 ( 2.580 3.838 -6.488) 7.968 3.502 ( 7.904 -5.104 -0.725) 9.436 3.647 ( -19.686 5.929 -0.793) 20.575 3.746 ( 2.001 2.211 -0.632) 3.048 4.007 ( -6.345 -8.758 9.007) 14.074 4.724 ( 10.770 7.546 4.524) 13.907 4.981 ( -12.308 8.461 -0.576) 14.947 5.395 ( -25.630 -3.954 2.923) 26.097 5.955 ( -28.567 -2.380 -2.877) 28.810 6.056 ( -7.536 4.987 3.994) 9.880 6.320 ( 1.143 -11.488 -5.820) 12.929 6.693 ( 0.791 -4.842 -12.144) 13.098 7.287 ( 8.853 -4.629 2.202) 10.230 7.826 ( -3.268 -7.789 8.824) 12.215 9.186 ( 0.653 -14.037 -4.245) 14.679 10.001 ( -0.480 1.766 0.932) 2.054 10.128 ( 6.380 -6.328 1.217) 9.068 10.322 ( -9.520 -4.647 0.814) 10.624 10.534 ( 4.696 8.296 -1.971) 9.735 10.940 ( 3.897 1.513 1.348) 4.393 11.604 ( 2.433 4.508 -3.475) 6.190 11.753 ( 4.252 7.221 2.038) 8.624 12.552 ( 5.052 2.534 -14.284) 15.361 13.445 ( 5.861 5.827 16.378) 18.346 14.647 ( 0.629 -5.873 -2.799) 6.537 21.796 ( -10.460 2.304 0.908) 10.749 22.174 ( -9.323 -6.343 -2.371) 11.523 23.088 ( 4.315 5.179 1.344) 6.873 23.487 ( -5.904 2.608 -1.856) 6.716 25.589 ( 0.776 3.835 0.198) 3.917 26.016 ( -2.830 0.137 2.501) 3.779 26.320 ( 5.380 0.053 -4.587) 7.070 26.619 ( 6.242 -1.227 1.410) 6.516======================= Grid point 154 (58/180) =======================q-point: (-0.36 0.18 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.033 ( -8.477 14.892 6.227) 18.232 2.350 ( -26.626 11.866 0.545) 29.155 2.624 ( -0.283 2.757 -2.619) 3.814 3.167 ( -11.970 19.143 -0.198) 22.578 3.483 ( -1.166 0.452 -9.312) 9.395 3.705 ( 7.411 4.151 -1.567) 8.638 3.803 ( 6.505 -1.555 5.591) 8.718 3.901 ( -18.455 -6.178 7.727) 20.939 4.723 ( -5.328 2.660 -3.673) 6.997 4.749 ( -4.060 6.153 3.327) 8.087 5.135 ( -11.923 -3.752 10.143) 16.097 5.580 ( -15.287 -2.321 -2.962) 15.743 5.842 ( -9.983 3.126 4.711) 11.473 6.402 ( -5.790 -4.509 -6.938) 10.099 6.812 ( 2.618 -11.526 -12.364) 17.105 7.459 ( 5.211 -3.221 -3.658) 7.135 7.936 ( 1.436 -16.611 11.629) 20.328 9.360 ( 1.883 -13.431 -4.090) 14.166 9.947 ( -3.188 -0.010 2.927) 4.327 10.225 ( -7.798 -5.545 0.532) 9.583 10.334 ( 6.763 -7.655 0.011) 10.215 10.494 ( 3.299 11.446 -0.857) 11.943 10.980 ( 3.300 2.152 0.291) 3.950 11.588 ( 2.035 5.195 -3.931) 6.825 11.748 ( 3.640 5.257 1.444) 6.555 12.578 ( 3.770 5.780 -19.429) 20.618 13.511 ( 6.772 1.048 21.959) 23.003 14.699 ( 0.526 -1.559 -2.099) 2.667 21.584 ( -11.898 1.472 1.542) 12.087 22.080 ( -9.856 -4.583 -2.659) 11.190 23.060 ( 2.071 9.405 0.827) 9.666 23.398 ( -3.922 -1.321 -1.805) 4.515 25.527 ( -0.647 7.352 0.211) 7.384 25.980 ( -1.529 0.022 2.481) 2.914 26.401 ( 4.208 -0.260 -4.762) 6.360 26.743 ( 6.796 -1.742 0.569) 7.039======================= Grid point 155 (59/180) =======================q-point: (-0.27 0.18 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.635 ( -20.971 16.471 2.224) 26.758 1.797 ( -12.829 18.518 10.927) 25.038 2.596 ( 0.371 3.691 -4.825) 6.086 2.756 ( -4.399 30.488 3.022) 30.952 3.476 ( -3.405 -1.878 -8.419) 9.273 3.574 ( -16.098 1.404 1.499) 16.229 3.730 ( 3.337 4.929 -3.127) 6.724 3.948 ( 5.570 -1.621 8.347) 10.165 4.491 ( -12.543 3.253 -8.050) 15.255 4.747 ( -1.465 -4.268 6.208) 7.674 5.008 ( -5.745 -4.112 12.212) 14.108 5.497 ( -3.955 -1.151 -3.071) 5.138 5.733 ( 4.587 3.966 6.600) 8.963 6.229 ( -15.235 1.597 -8.263) 17.405 7.003 ( 1.590 -15.117 -10.385) 18.410 7.523 ( 1.078 -0.263 -3.931) 4.084 8.231 ( 4.812 -24.532 9.964) 26.912 9.537 ( 2.188 -11.546 -4.355) 12.532 9.908 ( -2.900 -2.407 1.893) 4.218 10.201 ( -2.490 -6.004 2.121) 6.838 10.376 ( -0.551 12.421 1.416) 12.514 10.519 ( 4.075 -7.437 -1.084) 8.549 10.999 ( 1.874 2.378 -0.263) 3.039 11.548 ( 0.772 6.566 -4.100) 7.779 11.755 ( 2.615 3.207 0.241) 4.145 12.557 ( 2.264 6.536 -24.086) 25.059 13.643 ( 6.655 -4.438 26.692) 27.865 14.698 ( 0.361 2.980 -1.145) 3.213 21.393 ( -8.801 0.912 1.955) 9.062 21.943 ( -9.627 -0.310 -2.779) 10.025 22.967 ( 0.528 10.293 0.791) 10.337 23.369 ( -1.997 -1.516 -2.824) 3.776 25.414 ( -1.128 9.631 0.091) 9.697 25.960 ( -0.492 1.007 1.060) 1.542 26.465 ( 2.516 -1.174 -4.545) 5.326 26.880 ( 5.830 -3.605 0.322) 6.862======================= Grid point 156 (60/180) =======================q-point: (-0.18 0.18 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.202 ( 0.000 18.186 7.448) 19.652 1.464 ( 0.000 24.283 12.598) 27.356 2.300 ( 0.000 41.166 7.360) 41.819 2.592 ( 0.000 0.204 -4.848) 4.853 3.332 ( 0.000 2.124 2.640) 3.388 3.521 ( 0.000 0.223 -10.881) 10.884 3.714 ( 0.000 3.123 -6.682) 7.376 4.015 ( -0.000 -2.170 12.217) 12.409 4.322 ( 0.000 4.991 -9.345) 10.594 4.782 ( -0.000 -6.583 2.451) 7.024 5.033 ( -0.000 -2.849 14.179) 14.462 5.433 ( 0.000 0.502 -2.000) 2.062 5.809 ( 0.000 6.324 12.257) 13.793 5.998 ( 0.000 0.447 -12.827) 12.835 7.185 ( -0.000 -14.805 -9.694) 17.696 7.526 ( 0.000 0.802 -2.257) 2.395 8.574 ( -0.000 -27.081 8.485) 28.379 9.664 ( -0.000 -6.706 -5.032) 8.384 9.918 ( -0.000 -3.687 -0.574) 3.732 10.198 ( 0.000 13.987 3.604) 14.444 10.284 ( -0.000 -9.316 4.541) 10.364 10.636 ( -0.000 -7.259 -1.683) 7.451 10.988 ( 0.000 2.307 -0.593) 2.382 11.471 ( 0.000 7.845 -4.147) 8.874 11.751 ( 0.000 2.049 -0.543) 2.119 12.510 ( 0.000 5.653 -27.620) 28.193 13.799 ( -0.000 -10.607 29.547) 31.393 14.644 ( 0.000 7.399 -0.219) 7.402 21.302 ( 0.000 0.876 2.074) 2.252 21.817 ( 0.000 3.632 -2.335) 4.318 22.859 ( 0.000 9.892 0.830) 9.927 23.359 ( 0.000 0.019 -4.822) 4.822 25.292 ( 0.000 9.895 -0.077) 9.895 25.932 ( 0.000 3.687 -2.984) 4.743 26.508 ( -0.000 -2.531 -3.125) 4.021 26.992 ( -0.000 -5.771 1.006) 5.858======================= Grid point 161 (61/180) =======================q-point: ( 0.27 0.27 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.401 ( 4.953 -0.000 -1.499) 5.175 2.639 ( 22.882 -0.000 5.087) 23.441 2.888 ( -13.330 0.000 5.931) 14.590 2.910 ( 20.731 -0.000 7.565) 22.068 3.693 ( -2.335 0.000 -12.176) 12.397 3.694 ( 3.832 -0.000 -2.492) 4.571 3.991 ( -3.231 0.000 2.118) 3.863 4.443 ( -12.742 0.000 2.224) 12.934 4.772 ( 8.401 -0.000 8.566) 11.998 5.343 ( -5.064 0.000 -1.714) 5.346 5.436 ( 6.380 -0.000 -2.931) 7.021 6.485 ( -28.480 0.000 3.109) 28.650 6.567 ( -5.639 0.000 -12.866) 14.047 6.576 ( -7.481 0.000 -0.530) 7.500 6.860 ( -3.412 0.000 -0.564) 3.458 6.973 ( 3.969 -0.000 -0.997) 4.092 7.965 ( -13.612 0.000 5.199) 14.572 8.730 ( -0.472 0.000 -4.795) 4.818 9.711 ( 5.561 -0.000 6.445) 8.513 10.147 ( -1.415 0.000 0.342) 1.456 10.475 ( -4.702 0.000 -4.106) 6.243 10.596 ( -0.631 0.000 -1.492) 1.620 10.837 ( 2.807 -0.000 7.481) 7.990 11.645 ( 1.877 -0.000 -2.149) 2.853 11.953 ( 4.107 -0.000 -0.023) 4.108 12.191 ( 8.298 -0.000 -3.791) 9.123 13.704 ( 4.244 -0.000 3.961) 5.805 14.213 ( 1.183 -0.000 -1.736) 2.101 22.087 ( -4.665 0.000 0.154) 4.667 22.273 ( -2.224 0.000 -0.982) 2.431 23.000 ( 1.810 -0.000 1.572) 2.398 23.907 ( -7.265 0.000 -6.087) 9.478 25.499 ( 4.445 -0.000 0.051) 4.446 26.070 ( 10.512 -0.000 -8.682) 13.634 26.193 ( -6.409 0.000 4.367) 7.755 26.389 ( 3.686 -0.000 6.520) 7.490======================= Grid point 162 (62/180) =======================q-point: ( 0.36 0.27 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.459 ( 2.659 0.744 1.888) 3.345 2.661 ( -11.652 -0.893 8.316) 14.343 3.040 ( 20.872 -2.740 2.394) 21.187 3.211 ( 15.638 3.814 1.379) 16.155 3.621 ( -5.972 1.846 -13.291) 14.688 3.739 ( 1.632 0.205 -3.051) 3.466 3.973 ( -0.056 0.386 4.926) 4.941 4.089 ( -25.647 -1.270 3.919) 25.976 4.829 ( 5.120 6.218 8.228) 11.515 5.270 ( -4.287 1.186 -4.060) 6.022 5.598 ( -1.427 -6.999 -9.742) 12.080 6.044 ( -16.534 0.722 11.299) 20.038 6.336 ( -21.767 -0.635 -7.917) 23.171 6.402 ( -13.393 0.725 -0.615) 13.427 6.706 ( -7.640 0.899 -9.492) 12.218 7.100 ( 6.584 0.328 5.713) 8.723 7.781 ( -8.927 -1.391 5.496) 10.575 8.783 ( 1.693 -6.398 -5.218) 8.428 9.829 ( 7.979 -1.213 5.736) 9.901 10.113 ( -3.575 -0.052 -0.081) 3.576 10.373 ( -7.995 -1.120 -2.044) 8.327 10.622 ( 4.805 1.882 -1.609) 5.406 10.896 ( 4.221 0.151 4.736) 6.346 11.670 ( 2.184 1.353 -2.602) 3.657 11.976 ( 5.182 8.317 0.577) 9.817 12.359 ( 6.779 -5.897 -4.370) 9.991 13.710 ( 4.902 11.086 4.428) 12.905 14.298 ( 1.025 -10.445 -2.073) 10.698 22.013 ( -3.789 1.988 -0.211) 4.284 22.164 ( -11.135 -2.933 -1.750) 11.647 23.063 ( 5.355 0.201 2.332) 5.845 23.756 ( -8.211 3.299 -3.793) 9.628 25.584 ( 5.162 -0.172 0.672) 5.208 26.091 ( -5.289 0.327 4.086) 6.691 26.219 ( 7.234 -0.095 -5.195) 8.906 26.474 ( 5.687 -1.005 1.871) 6.071======================= Grid point 163 (63/180) =======================q-point: (-0.55 0.27 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.418 ( -5.285 3.774 6.916) 9.487 2.566 ( -1.583 -2.684 2.051) 3.730 3.164 ( -17.943 9.904 -3.052) 20.720 3.389 ( 15.031 -3.887 1.096) 15.564 3.527 ( 1.498 -1.239 -5.640) 5.965 3.737 ( -4.237 0.636 1.402) 4.508 3.774 ( -6.397 2.276 -3.229) 7.519 3.940 ( -3.436 2.036 6.693) 7.794 4.878 ( 6.916 3.994 9.694) 12.560 5.112 ( -12.304 5.416 -8.132) 15.712 5.349 ( -20.250 -0.951 1.393) 20.320 5.910 ( -28.609 -1.637 -3.808) 28.908 6.090 ( 1.711 -8.157 -1.633) 8.493 6.153 ( -9.094 3.402 2.671) 10.070 6.630 ( -1.963 -1.524 -12.540) 12.784 7.191 ( 3.631 -3.398 8.587) 9.923 7.694 ( -5.923 -4.058 3.630) 8.045 8.909 ( 2.410 -9.520 -5.140) 11.085 9.991 ( 6.647 -2.365 3.433) 7.846 10.032 ( -4.660 -1.598 1.477) 5.144 10.242 ( -9.884 -2.493 -0.045) 10.194 10.696 ( 8.060 5.206 -2.431) 9.898 10.966 ( 4.529 0.764 2.435) 5.199 11.688 ( 2.611 2.687 -3.191) 4.921 11.953 ( 4.652 10.239 1.298) 11.321 12.524 ( 5.446 -4.911 -6.745) 9.964 13.654 ( 4.819 12.336 7.369) 15.156 14.442 ( 0.820 -11.679 -2.343) 11.939 21.856 ( -11.836 2.865 0.046) 12.178 22.058 ( -5.902 -4.209 -1.560) 7.415 23.152 ( 5.850 1.175 1.540) 6.162 23.575 ( -8.275 4.084 -2.096) 9.463 25.656 ( 4.327 2.095 0.957) 4.902 26.013 ( -3.931 -0.227 4.253) 5.796 26.320 ( 5.018 -0.112 -3.177) 5.940 26.589 ( 6.356 -1.187 -1.391) 6.614======================= Grid point 164 (64/180) =======================q-point: (-0.45 0.27 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.268 ( -6.243 6.191 7.564) 11.598 2.518 ( -16.884 3.978 -4.004) 17.802 2.673 ( -15.456 1.818 1.889) 15.677 3.480 ( 0.173 6.571 -8.056) 10.397 3.583 ( -2.746 9.806 -4.562) 11.159 3.704 ( 12.668 -2.410 3.061) 13.254 3.753 ( -7.642 -5.968 8.254) 12.734 3.860 ( 1.206 4.137 2.601) 5.033 4.759 ( -22.371 -0.822 -2.945) 22.579 4.866 ( -4.156 3.956 8.804) 10.509 5.149 ( -7.478 5.579 4.112) 10.196 5.547 ( -10.718 -0.591 -4.370) 11.589 5.886 ( -12.674 -0.364 -0.492) 12.689 6.269 ( 2.472 -5.164 -3.857) 6.903 6.654 ( 0.375 -3.894 -12.793) 13.378 7.325 ( 4.659 -8.511 6.561) 11.712 7.662 ( -5.380 -7.360 4.208) 10.041 9.068 ( 2.638 -11.442 -5.002) 12.763 9.919 ( -7.044 -1.747 2.525) 7.684 10.116 ( -8.976 -3.903 1.295) 9.873 10.183 ( 7.035 -5.637 2.427) 9.336 10.747 ( 7.183 9.370 -2.783) 12.130 11.022 ( 3.703 1.553 0.992) 4.136 11.694 ( 2.476 3.930 -3.810) 6.007 11.908 ( 3.310 9.354 1.607) 10.052 12.639 ( 4.061 -1.295 -11.474) 12.240 13.612 ( 4.404 8.607 12.694) 15.957 14.572 ( 0.554 -9.331 -2.241) 9.612 21.614 ( -13.428 1.155 1.241) 13.535 22.020 ( -3.272 -1.321 -2.053) 4.082 23.214 ( 4.145 3.854 0.515) 5.683 23.409 ( -6.485 2.384 -0.944) 6.974 25.672 ( 2.475 5.414 0.977) 6.033 25.967 ( -2.352 -0.817 4.552) 5.188 26.394 ( 3.540 -0.478 -2.774) 4.522 26.705 ( 5.652 -1.511 -2.930) 6.543======================= Grid point 165 (65/180) =======================q-point: (-0.36 0.27 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.918 ( -24.617 9.500 -0.071) 26.387 2.148 ( -4.823 11.852 11.266) 17.049 2.609 ( -1.678 -0.289 -6.329) 6.555 3.346 ( 1.512 18.050 -4.571) 18.681 3.474 ( -2.090 2.588 -5.734) 6.629 3.595 ( -11.852 1.383 6.113) 13.407 3.864 ( 4.260 6.064 0.679) 7.442 3.917 ( 8.612 -1.661 6.660) 11.013 4.461 ( -16.249 -5.003 -1.957) 17.114 4.760 ( -3.404 4.518 5.116) 7.627 4.911 ( -11.293 -2.558 9.067) 14.707 5.497 ( -2.654 0.895 -3.387) 4.395 5.818 ( 7.530 2.202 -1.333) 7.958 6.252 ( -8.924 0.112 -4.292) 9.903 6.729 ( 0.858 -8.271 -12.932) 15.374 7.486 ( 3.405 -4.135 -3.571) 6.438 7.725 ( -2.259 -19.070 12.043) 22.667 9.246 ( 2.203 -12.913 -4.905) 13.988 9.840 ( -5.318 -3.132 2.464) 6.645 10.054 ( -4.657 -5.886 3.501) 8.282 10.347 ( 4.022 -6.924 1.009) 8.071 10.710 ( 3.721 13.843 -2.262) 14.512 11.050 ( 2.042 2.138 0.208) 2.964 11.679 ( 1.532 5.034 -4.166) 6.712 11.860 ( 1.846 6.810 1.130) 7.145 12.682 ( 2.227 3.130 -17.604) 18.019 13.614 ( 3.310 2.645 19.252) 19.712 14.664 ( 0.304 -5.810 -1.839) 6.101 21.412 ( -8.918 0.807 2.142) 9.207 21.967 ( -2.759 1.838 -2.524) 4.167 23.174 ( -0.299 7.852 0.306) 7.864 23.342 ( -1.142 -0.765 -0.839) 1.610 25.619 ( 0.671 8.407 0.818) 8.474 25.951 ( -0.983 -1.128 4.717) 4.949 26.447 ( 1.988 -0.760 -3.234) 3.871 26.807 ( 3.788 -2.687 -3.475) 5.801======================= Grid point 166 (66/180) =======================q-point: (-0.27 0.27 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.552 ( 0.000 13.028 3.157) 13.405 1.945 ( 0.000 18.048 11.095) 21.185 2.594 ( -0.000 -0.074 -7.015) 7.015 3.113 ( 0.000 30.052 -0.851) 30.064 3.388 ( 0.000 2.711 6.151) 6.722 3.495 ( -0.000 -1.081 -10.694) 10.748 3.827 ( 0.000 6.426 0.687) 6.462 4.005 ( 0.000 0.599 7.844) 7.867 4.368 ( -0.000 -3.417 -6.222) 7.099 4.672 ( -0.000 -0.180 7.018) 7.021 4.910 ( -0.000 -7.161 11.006) 13.130 5.447 ( 0.000 0.707 -2.214) 2.324 5.992 ( 0.000 9.432 5.111) 10.728 6.005 ( -0.000 -0.509 -11.005) 11.017 6.858 ( -0.000 -12.891 -11.221) 17.090 7.527 ( -0.000 -0.693 -4.863) 4.912 7.981 ( -0.000 -25.840 11.806) 28.409 9.415 ( -0.000 -13.509 -4.601) 14.272 9.831 ( -0.000 -3.839 0.841) 3.930 10.093 ( -0.000 -7.629 5.061) 9.155 10.460 ( -0.000 -6.740 0.072) 6.741 10.568 ( 0.000 15.948 -1.191) 15.992 11.042 ( 0.000 2.407 -0.123) 2.410 11.629 ( 0.000 6.208 -4.218) 7.505 11.816 ( 0.000 4.253 0.359) 4.268 12.647 ( 0.000 5.973 -22.302) 23.088 13.649 ( -0.000 -2.917 24.272) 24.447 14.709 ( -0.000 -1.626 -1.383) 2.135 21.323 ( 0.000 0.998 2.372) 2.574 21.903 ( 0.000 3.890 -2.583) 4.670 23.076 ( 0.000 8.955 0.582) 8.974 23.344 ( -0.000 -0.789 -1.551) 1.740 25.518 ( 0.000 9.992 0.536) 10.006 25.955 ( -0.000 -0.729 3.984) 4.050 26.474 ( -0.000 -0.956 -4.083) 4.193 26.881 ( -0.000 -4.142 -2.815) 5.008======================= Grid point 173 (67/180) =======================q-point: ( 0.36 -0.64 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.471 ( -9.637 0.000 9.659) 13.645 2.518 ( 3.370 -0.000 0.433) 3.397 3.277 ( -19.986 0.000 -3.742) 20.333 3.382 ( 5.384 -0.000 1.489) 5.587 3.453 ( 9.743 -0.000 -2.097) 9.966 3.741 ( -1.667 0.000 -3.520) 3.895 3.810 ( -5.156 0.000 -2.104) 5.569 3.982 ( -0.852 0.000 7.542) 7.590 4.899 ( 0.774 -0.000 8.632) 8.667 5.234 ( -29.201 0.000 -3.921) 29.463 5.308 ( 4.787 -0.000 -6.658) 8.201 5.889 ( -28.529 0.000 -4.687) 28.912 5.991 ( -1.021 0.000 2.921) 3.095 6.195 ( -7.876 0.000 2.936) 8.406 6.612 ( -4.065 0.000 -12.911) 13.536 7.152 ( 0.474 -0.000 10.767) 10.777 7.648 ( -5.859 0.000 1.303) 6.002 8.799 ( 3.743 -0.000 -5.668) 6.793 9.957 ( 8.167 -0.000 5.499) 9.846 10.020 ( -7.359 0.000 0.757) 7.398 10.214 ( -9.914 0.000 -0.384) 9.921 10.753 ( 8.706 -0.000 -2.508) 9.061 10.974 ( 4.804 -0.000 2.827) 5.574 11.718 ( 2.602 -0.000 -3.046) 4.006 12.116 ( 5.230 -0.000 0.478) 5.252 12.421 ( 5.125 -0.000 -3.140) 6.011 13.866 ( 4.890 -0.000 3.031) 5.753 14.242 ( 0.506 -0.000 -1.513) 1.595 21.901 ( -16.359 0.000 -0.509) 16.367 22.000 ( -0.553 0.000 -1.081) 1.214 23.163 ( 6.058 -0.000 1.691) 6.289 23.626 ( -9.237 0.000 -2.407) 9.546 25.680 ( 5.819 -0.000 1.302) 5.963 26.010 ( -4.309 0.000 4.616) 6.315 26.318 ( 4.748 -0.000 -2.454) 5.345 26.575 ( 6.626 -0.000 -2.300) 7.014======================= Grid point 175 (68/180) =======================q-point: (-0.55 0.36 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.333 ( -6.932 0.711 9.358) 11.668 2.564 ( 0.053 0.785 -3.678) 3.762 2.706 ( -32.774 0.904 2.012) 32.848 3.557 ( 5.155 1.513 -4.098) 6.757 3.625 ( 7.990 -3.074 4.683) 9.758 3.678 ( -4.569 -0.498 0.473) 4.621 3.778 ( 2.226 4.666 -6.329) 8.172 3.937 ( -1.054 2.224 6.322) 6.784 4.708 ( -27.246 -2.087 -0.730) 27.335 4.943 ( -0.825 2.340 11.176) 11.448 5.277 ( -14.248 3.569 -0.168) 14.689 5.557 ( -2.363 1.404 -9.553) 9.941 5.820 ( -15.235 -3.708 -3.240) 16.011 6.230 ( 5.767 0.475 1.823) 6.067 6.587 ( -0.419 -2.143 -12.818) 13.003 7.165 ( -0.361 -4.185 14.003) 14.619 7.574 ( -4.684 -1.567 -2.666) 5.612 8.889 ( 3.920 -4.228 -6.240) 8.496 9.888 ( -8.340 -0.802 2.419) 8.720 10.058 ( -9.338 -1.318 1.504) 9.550 10.095 ( 6.785 -2.091 4.482) 8.396 10.882 ( 8.025 2.848 -3.366) 9.157 11.046 ( 4.021 0.551 1.350) 4.277 11.753 ( 2.443 1.335 -3.592) 4.544 12.137 ( 4.034 9.217 0.843) 10.096 12.533 ( 3.449 -6.366 -3.977) 8.261 13.861 ( 3.615 11.384 4.278) 12.688 14.324 ( 0.509 -11.056 -1.478) 11.166 21.632 ( -14.700 0.434 1.103) 14.748 22.005 ( 0.437 -0.220 -1.928) 1.989 23.253 ( 4.855 0.491 0.640) 4.922 23.467 ( -8.175 1.769 -1.151) 8.443 25.757 ( 4.404 2.054 1.441) 5.069 25.954 ( -2.674 -0.312 4.889) 5.581 26.383 ( 3.063 -0.322 -1.474) 3.415 26.681 ( 5.486 -0.583 -4.103) 6.876======================= Grid point 176 (69/180) =======================q-point: (-0.45 0.36 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.070 ( -23.052 4.310 -1.011) 23.473 2.307 ( -4.474 3.066 14.260) 15.257 2.595 ( -0.913 -0.751 -7.822) 7.911 3.529 ( -2.930 4.405 -4.643) 7.039 3.560 ( -6.332 1.542 6.800) 9.419 3.696 ( 1.782 5.462 -4.046) 7.027 3.869 ( 10.253 -1.446 3.793) 11.027 3.953 ( 3.735 1.064 2.265) 4.496 4.344 ( -19.944 -4.767 2.464) 20.654 4.876 ( -1.370 6.059 9.833) 11.631 4.946 ( -15.283 3.671 1.560) 15.795 5.526 ( -5.015 1.666 -3.681) 6.440 5.775 ( 4.923 -5.566 -9.353) 11.946 6.274 ( 0.607 2.447 -0.900) 2.677 6.621 ( 0.380 -2.858 -13.048) 13.363 7.260 ( 1.650 -11.417 14.993) 18.917 7.523 ( -4.073 -2.487 -4.854) 6.807 9.012 ( 2.749 -7.510 -6.609) 10.375 9.782 ( -5.806 -1.948 3.581) 7.094 9.953 ( -5.643 -3.093 3.422) 7.288 10.220 ( 3.895 -4.153 3.306) 6.584 10.939 ( 4.630 6.401 -3.650) 8.703 11.089 ( 2.217 1.259 0.493) 2.597 11.765 ( 1.501 2.627 -4.069) 5.070 12.068 ( 1.932 11.267 1.303) 11.505 12.650 ( 1.986 -5.692 -7.408) 9.551 13.777 ( 2.104 11.212 8.149) 14.019 14.462 ( 0.317 -11.620 -1.659) 11.742 21.427 ( -8.859 0.497 2.290) 9.163 22.006 ( 0.237 1.422 -2.597) 2.971 23.298 ( 1.057 2.886 -0.136) 3.076 23.340 ( -3.176 0.870 -0.259) 3.303 25.772 ( 1.988 4.917 1.318) 5.465 25.928 ( -1.128 -0.673 5.226) 5.389 26.428 ( 1.640 -0.784 -1.474) 2.340 26.764 ( 3.169 -1.275 -4.839) 5.923======================= Grid point 177 (70/180) =======================q-point: (-0.36 0.36 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.781 ( 0.000 7.643 0.898) 7.696 2.228 ( 0.000 7.103 13.051) 14.859 2.589 ( -0.000 -0.372 -9.599) 9.606 3.448 ( 0.000 2.572 10.482) 10.793 3.469 ( 0.000 4.811 -9.470) 10.622 3.626 ( 0.000 10.593 -4.346) 11.449 3.964 ( 0.000 4.317 2.398) 4.938 4.020 ( 0.000 0.137 6.423) 6.424 4.203 ( -0.000 -8.644 2.462) 8.988 4.757 ( 0.000 5.258 1.886) 5.586 4.816 ( 0.000 1.317 9.381) 9.473 5.461 ( 0.000 0.438 -2.518) 2.555 5.928 ( -0.000 -6.703 -10.987) 12.870 6.195 ( 0.000 8.086 1.308) 8.191 6.662 ( -0.000 -4.663 -13.763) 14.532 7.463 ( -0.000 -19.559 16.371) 25.506 7.500 ( -0.000 -1.504 -7.189) 7.344 9.137 ( -0.000 -10.478 -6.127) 12.138 9.756 ( -0.000 -2.751 2.891) 3.990 9.951 ( -0.000 -5.010 4.879) 6.993 10.309 ( -0.000 -5.831 2.125) 6.206 10.883 ( 0.000 10.670 -3.236) 11.150 11.090 ( 0.000 1.834 0.162) 1.841 11.742 ( 0.000 3.867 -4.230) 5.731 11.966 ( 0.000 9.517 1.285) 9.604 12.710 ( -0.000 -1.580 -12.789) 12.887 13.692 ( 0.000 7.083 13.911) 15.610 14.582 ( -0.000 -9.287 -1.741) 9.449 21.344 ( 0.000 0.780 2.640) 2.753 21.981 ( 0.000 2.940 -2.804) 4.062 23.236 ( 0.000 5.242 0.209) 5.246 23.335 ( 0.000 0.014 -0.560) 0.560 25.717 ( 0.000 7.459 1.144) 7.546 25.929 ( -0.000 -1.136 5.309) 5.430 26.453 ( -0.000 -0.984 -1.991) 2.221 26.810 ( -0.000 -2.204 -4.913) 5.385======================= Grid point 186 (71/180) =======================q-point: ( 0.45 -0.55 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.116 ( -21.448 0.000 -0.958) 21.469 2.332 ( -6.302 0.000 16.493) 17.656 2.586 ( -0.129 0.000 -8.872) 8.873 3.551 ( -5.261 0.000 11.518) 12.663 3.616 ( -0.108 0.000 -9.385) 9.386 3.731 ( 4.872 -0.000 0.527) 4.901 3.896 ( 6.917 -0.000 -3.725) 7.856 3.932 ( -0.068 0.000 6.176) 6.176 4.283 ( -20.762 0.000 2.377) 20.898 4.970 ( 1.003 -0.000 11.071) 11.117 4.989 ( -14.909 0.000 0.925) 14.938 5.562 ( -10.883 0.000 -2.632) 11.196 5.675 ( 6.715 -0.000 -14.118) 15.634 6.315 ( 3.340 -0.000 0.370) 3.360 6.581 ( 1.148 -0.000 -11.905) 11.960 7.130 ( -0.178 0.000 16.416) 16.417 7.498 ( -3.332 0.000 -6.949) 7.707 8.927 ( 2.964 -0.000 -7.639) 8.193 9.759 ( -5.859 0.000 4.114) 7.159 9.918 ( -6.038 0.000 3.271) 6.867 10.173 ( 3.837 -0.000 4.401) 5.839 11.006 ( 4.711 -0.000 -3.946) 6.146 11.103 ( 2.303 -0.000 0.583) 2.375 11.794 ( 1.474 -0.000 -4.025) 4.287 12.256 ( 2.569 -0.000 0.409) 2.601 12.525 ( 1.378 -0.000 -2.521) 2.874 13.989 ( 2.084 -0.000 2.973) 3.631 14.250 ( 0.061 -0.000 -0.794) 0.797 21.433 ( -8.830 0.000 2.346) 9.136 22.023 ( 1.106 -0.000 -2.646) 2.868 23.319 ( 2.697 -0.000 -0.112) 2.699 23.362 ( -5.164 0.000 -0.347) 5.176 25.826 ( 2.111 -0.000 1.470) 2.572 25.923 ( -0.783 0.000 5.269) 5.326 26.419 ( 1.506 -0.000 -1.081) 1.854 26.750 ( 3.059 -0.000 -4.919) 5.792======================= Grid point 188 (72/180) =======================q-point: (-0.45 0.45 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.894 ( 0.000 2.546 0.055) 2.547 2.295 ( 0.000 0.429 16.504) 16.510 2.581 ( -0.000 -0.244 -11.488) 11.491 3.494 ( 0.000 1.296 14.060) 14.120 3.588 ( 0.000 4.411 -8.710) 9.763 3.759 ( 0.000 2.992 -4.460) 5.370 3.959 ( -0.000 -3.461 5.640) 6.617 4.020 ( 0.000 0.434 0.335) 0.548 4.054 ( -0.000 -3.900 4.362) 5.851 4.848 ( 0.000 2.334 0.511) 2.389 4.943 ( 0.000 6.059 10.460) 12.088 5.467 ( 0.000 0.103 -2.731) 2.733 5.767 ( -0.000 -5.518 -13.789) 14.852 6.325 ( 0.000 3.171 -0.219) 3.179 6.603 ( -0.000 -1.481 -12.130) 12.220 7.166 ( -0.000 -6.520 17.555) 18.726 7.472 ( -0.000 -0.769 -8.553) 8.588 8.975 ( -0.000 -3.819 -7.990) 8.856 9.714 ( -0.000 -1.005 4.612) 4.720 9.875 ( -0.000 -1.745 4.263) 4.607 10.218 ( -0.000 -2.193 3.963) 4.529 11.030 ( 0.000 2.953 -4.044) 5.007 11.119 ( 0.000 0.686 0.304) 0.750 11.799 ( 0.000 1.306 -4.220) 4.418 12.209 ( 0.000 10.278 0.828) 10.311 12.589 ( -0.000 -7.357 -3.917) 8.335 13.924 ( 0.000 11.442 4.474) 12.286 14.332 ( -0.000 -11.467 -1.045) 11.514 21.356 ( 0.000 0.293 2.798) 2.814 22.027 ( 0.000 1.091 -2.932) 3.128 23.309 ( 0.000 1.492 0.012) 1.492 23.340 ( 0.000 0.252 -0.405) 0.476 25.829 ( 0.000 2.301 1.462) 2.726 25.918 ( 0.000 0.140 5.357) 5.359 26.434 ( -0.000 -0.526 -1.110) 1.228 26.779 ( -0.000 -0.679 -5.141) 5.185======================= Grid point 250 (73/180) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.000 ( 0.000 0.000 25.869) 25.869 1.066 ( 0.000 0.000 27.741) 27.741 1.530 ( 0.000 0.000 35.159) 35.159 2.482 ( 0.000 0.000 -7.907) 7.907 3.276 ( 0.000 0.000 -24.304) 24.304 3.300 ( 0.000 0.000 1.156) 1.156 3.317 ( 0.000 0.000 -7.839) 7.839 3.900 ( 0.000 0.000 -16.256) 16.256 4.752 ( 0.000 0.000 6.735) 6.735 4.859 ( 0.000 0.000 1.996) 1.996 5.340 ( 0.000 0.000 -5.484) 5.484 5.506 ( 0.000 0.000 24.041) 24.041 5.521 ( 0.000 0.000 -8.243) 8.243 6.195 ( 0.000 0.000 24.894) 24.894 7.102 ( 0.000 0.000 -14.200) 14.200 7.464 ( 0.000 0.000 -3.359) 3.359 9.576 ( 0.000 0.000 2.348) 2.348 9.662 ( 0.000 0.000 -0.612) 0.612 10.019 ( 0.000 0.000 3.048) 3.048 10.355 ( 0.000 0.000 3.124) 3.124 10.693 ( 0.000 0.000 -5.129) 5.129 10.714 ( 0.000 0.000 6.182) 6.182 10.820 ( 0.000 0.000 -7.635) 7.635 11.113 ( 0.000 0.000 -5.112) 5.112 11.704 ( 0.000 0.000 0.070) 0.070 11.808 ( 0.000 0.000 -2.026) 2.026 14.277 ( 0.000 0.000 5.887) 5.887 14.684 ( 0.000 0.000 -2.876) 2.876 21.329 ( 0.000 0.000 3.285) 3.285 21.669 ( 0.000 0.000 -3.725) 3.725 22.629 ( 0.000 0.000 2.219) 2.219 22.881 ( 0.000 0.000 -2.877) 2.877 25.067 ( 0.000 0.000 1.695) 1.695 25.330 ( 0.000 0.000 -4.457) 4.457 26.783 ( 0.000 0.000 6.828) 6.828 27.254 ( 0.000 0.000 -3.520) 3.520======================= Grid point 251 (74/180) =======================q-point: ( 0.09 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 485Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.135 ( 9.970 -5.675 21.937) 24.755 1.237 ( 11.149 -13.797 22.076) 28.320 1.830 ( 25.975 -9.389 27.318) 38.847 2.501 ( 2.185 -0.212 -7.428) 7.746 3.244 ( 0.179 1.578 -18.177) 18.246 3.319 ( -1.805 -4.785 -10.928) 12.065 3.569 ( 24.099 0.642 -3.683) 24.388 4.083 ( 16.618 -1.862 -13.235) 21.326 4.572 ( -8.569 6.739 11.693) 15.987 4.953 ( 10.463 -0.181 2.549) 10.770 5.401 ( -0.263 8.940 5.912) 10.721 5.541 ( 2.448 -1.451 9.542) 9.957 5.728 ( 24.746 -3.300 -18.271) 30.936 6.211 ( 2.679 0.910 21.898) 22.080 7.099 ( -1.811 -1.442 -15.316) 15.489 7.447 ( -2.086 0.073 -4.444) 4.910 9.384 ( -14.628 13.196 2.571) 19.868 9.574 ( -8.293 0.507 -2.864) 8.788 9.919 ( -7.564 -3.240 8.547) 11.865 10.375 ( 6.976 8.237 3.747) 11.426 10.649 ( -2.978 3.731 -1.655) 5.053 10.705 ( 1.985 3.627 -0.081) 4.135 10.858 ( -0.553 -3.606 -2.948) 4.690 11.177 ( 5.002 -3.489 -5.909) 8.492 11.681 ( -1.539 1.273 0.440) 2.045 11.865 ( 0.063 -8.028 -5.750) 9.875 14.285 ( -4.776 -3.339 5.936) 8.318 14.435 ( -17.989 1.137 7.232) 19.422 21.409 ( 8.955 -0.424 3.986) 9.812 22.055 ( 35.369 7.588 -17.137) 40.028 22.658 ( 2.732 -1.554 1.806) 3.625 22.974 ( 3.985 -12.177 -7.186) 14.690 25.094 ( 1.982 -2.529 1.529) 3.558 25.381 ( -0.267 -8.587 -5.981) 10.468 26.740 ( -2.571 4.003 6.932) 8.408 27.122 ( -11.221 2.861 1.700) 11.704======================= Grid point 252 (75/180) =======================q-point: ( 0.18 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 485Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.446 ( 14.743 -12.008 14.876) 24.142 1.637 ( 13.052 -19.033 14.747) 27.388 2.416 ( 23.781 -2.921 7.034) 24.971 2.605 ( 14.653 -7.022 0.459) 16.256 3.257 ( 2.772 0.678 -15.097) 15.364 3.369 ( 1.585 -4.674 -8.625) 9.937 3.955 ( 17.741 -2.048 4.957) 18.534 4.265 ( 4.482 7.209 0.313) 8.494 4.497 ( 6.410 -1.420 -0.072) 6.566 5.133 ( 8.834 2.441 3.314) 9.746 5.317 ( 2.035 7.606 8.598) 11.658 5.610 ( 10.175 -0.817 2.243) 10.451 6.105 ( 17.664 5.121 -4.146) 18.852 6.281 ( 8.093 0.028 2.355) 8.428 7.048 ( -3.969 3.246 -16.872) 17.634 7.389 ( -4.764 0.312 -6.870) 8.366 8.927 ( -16.677 16.379 6.075) 24.152 9.430 ( -10.658 -3.849 -5.862) 12.758 9.865 ( -5.536 -4.889 9.296) 11.873 10.394 ( 4.569 6.058 2.189) 7.897 10.536 ( -5.299 3.734 -2.284) 6.873 10.689 ( 3.483 7.058 0.914) 7.923 10.862 ( -2.375 -2.589 0.429) 3.539 11.315 ( 6.088 -2.719 -5.627) 8.725 11.638 ( -2.027 0.668 1.297) 2.497 11.954 ( 0.466 -6.760 -9.782) 11.900 14.024 ( -15.512 3.231 16.365) 22.779 14.400 ( -2.815 -10.528 0.506) 10.909 21.607 ( 13.686 0.110 5.090) 14.602 22.349 ( 12.882 9.056 -11.160) 19.300 22.749 ( 6.695 0.475 0.457) 6.728 23.244 ( 11.548 -6.956 -15.673) 20.674 25.198 ( 5.076 -5.364 0.201) 7.388 25.492 ( -0.668 -12.190 -8.421) 14.830 26.617 ( -4.579 6.377 7.568) 10.905 26.908 ( -10.492 1.203 5.345) 11.836======================= Grid point 253 (76/180) =======================q-point: ( 0.27 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 485Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.858 ( 17.117 -13.616 9.683) 23.920 2.052 ( 11.194 -18.162 9.081) 23.187 2.575 ( 5.841 -0.280 -1.017) 5.936 3.102 ( 15.793 -5.260 -7.648) 18.319 3.340 ( 9.685 -1.177 -7.333) 12.205 3.505 ( 12.204 -4.045 -1.691) 12.967 3.955 ( -9.855 4.145 15.091) 18.495 4.425 ( 6.460 -1.830 3.191) 7.434 4.604 ( 10.267 -1.712 -3.584) 11.009 5.091 ( -0.616 14.477 14.748) 20.675 5.402 ( 11.831 -3.126 -5.520) 13.424 5.938 ( 24.013 -1.188 -1.529) 24.091 6.218 ( 6.186 4.084 12.699) 14.705 6.453 ( 9.964 2.030 -11.897) 15.650 6.889 ( -5.561 9.954 -16.369) 19.949 7.280 ( -7.839 0.584 -8.374) 11.486 8.530 ( -12.094 11.002 10.255) 19.299 9.317 ( -9.627 -6.227 -7.993) 13.977 9.832 ( -4.567 -4.242 7.470) 9.729 10.346 ( -4.483 5.531 -2.839) 7.665 10.438 ( -0.256 2.605 0.512) 2.667 10.670 ( 3.732 6.908 -0.945) 7.909 10.855 ( -1.202 -1.710 4.312) 4.792 11.413 ( 3.724 0.049 -4.781) 6.061 11.607 ( -1.446 -0.534 2.386) 2.840 12.031 ( 0.990 -4.863 -11.402) 12.435 13.788 ( -10.070 1.441 17.730) 20.441 14.475 ( -1.943 -9.454 -3.160) 10.156 21.829 ( 13.248 1.423 5.083) 14.261 22.392 ( 2.696 3.712 -5.793) 7.389 22.855 ( 5.692 -0.938 0.978) 5.850 23.433 ( 8.073 2.179 -12.874) 15.351 25.356 ( 6.004 -5.153 -0.833) 7.956 25.618 ( -0.319 -11.636 -9.854) 15.251 26.474 ( -4.083 5.404 7.642) 10.212 26.752 ( -7.403 0.584 4.882) 8.887======================= Grid point 254 (77/180) =======================q-point: ( 0.36 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 485Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.294 ( 17.558 -11.745 7.106) 22.287 2.386 ( 7.195 -13.651 5.234) 16.294 2.697 ( 7.379 -1.936 3.698) 8.478 3.188 ( -1.136 -0.310 -11.406) 11.466 3.453 ( -0.625 1.689 -2.345) 2.956 3.694 ( -6.401 0.959 6.899) 9.460 3.936 ( 19.351 -0.819 -1.798) 19.452 4.336 ( -7.582 0.551 1.993) 7.859 4.884 ( -4.316 6.267 17.865) 19.418 4.983 ( 21.196 -1.208 -0.047) 21.231 5.659 ( 9.628 -5.670 -6.384) 12.869 6.251 ( 2.110 4.647 0.955) 5.192 6.317 ( 18.750 0.187 -1.077) 18.782 6.517 ( 3.907 4.766 -5.159) 8.038 6.722 ( 1.300 8.937 -10.601) 13.926 7.112 ( -11.833 0.692 -6.575) 13.555 8.291 ( -6.205 4.888 13.372) 15.531 9.251 ( -6.492 -5.848 -8.716) 12.342 9.811 ( -3.315 -4.043 5.001) 7.235 10.184 ( -5.615 6.393 -2.418) 8.846 10.417 ( -0.298 1.515 -0.641) 1.672 10.666 ( 3.225 4.115 -4.592) 6.959 10.858 ( -0.158 -0.634 7.610) 7.638 11.446 ( 1.644 1.343 -4.321) 4.814 11.599 ( -0.787 -1.060 3.482) 3.724 12.093 ( 0.909 -3.252 -11.554) 12.037 13.648 ( -5.778 0.514 17.867) 18.785 14.538 ( -1.130 -6.251 -5.692) 8.529 21.998 ( 9.181 2.009 3.917) 10.182 22.383 ( -0.112 1.171 -3.889) 4.063 22.953 ( 3.821 -2.076 1.928) 4.757 23.491 ( 3.877 3.922 -8.553) 10.177 25.490 ( 3.990 -3.401 -1.051) 5.347 25.732 ( 0.513 -7.987 -10.163) 12.936 26.372 ( -2.384 3.420 7.141) 8.269 26.646 ( -4.639 0.373 4.155) 6.239======================= Grid point 255 (78/180) =======================q-point: ( 0.45 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 485Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.568 ( 3.624 -3.891 9.697) 11.059 2.657 ( 8.742 -7.022 2.189) 11.424 2.865 ( 10.229 -4.450 3.877) 11.810 3.127 ( -7.927 1.878 1.264) 8.244 3.281 ( -6.635 5.358 -6.175) 10.529 3.668 ( 0.460 -1.169 3.201) 3.438 4.044 ( -2.903 0.723 -5.643) 6.387 4.393 ( 9.778 -0.990 -5.739) 11.381 4.713 ( -4.698 5.705 17.977) 19.437 5.381 ( 16.920 -7.587 2.153) 18.668 5.710 ( -8.353 1.506 -3.800) 9.300 6.215 ( 1.627 2.077 -11.748) 12.041 6.509 ( 1.683 2.572 -0.141) 3.077 6.583 ( 13.926 1.282 0.476) 13.993 6.739 ( 4.968 2.190 -5.902) 8.019 6.875 ( -15.088 0.344 -2.314) 15.269 8.200 ( -1.519 1.057 14.449) 14.567 9.226 ( -2.236 -2.432 -8.672) 9.280 9.815 ( -1.249 -2.915 2.849) 4.263 10.049 ( -2.391 4.168 -1.350) 4.991 10.398 ( -0.385 0.561 -1.385) 1.543 10.677 ( 1.358 1.237 -7.044) 7.280 10.861 ( 0.019 -0.120 9.237) 9.238 11.449 ( 0.399 0.727 -4.222) 4.302 11.601 ( -0.202 -0.542 4.247) 4.286 12.128 ( 0.330 -1.168 -11.341) 11.406 13.581 ( -1.909 0.116 17.886) 17.988 14.573 ( -0.361 -2.163 -6.969) 7.306 22.085 ( 3.269 0.969 2.832) 4.432 22.370 ( -0.339 0.185 -3.203) 3.227 23.017 ( 1.390 -1.101 2.463) 3.035 23.496 ( 1.101 1.774 -6.279) 6.617 25.559 ( 1.277 -1.217 -1.168) 2.115 25.802 ( 0.432 -2.792 -10.167) 10.552 26.319 ( -0.798 1.234 7.058) 7.210 26.592 ( -1.586 0.089 3.820) 4.137======================= Grid point 262 (79/180) =======================q-point: ( 0.09 0.09 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.337 ( 15.214 -0.000 20.336) 25.397 1.360 ( 16.518 -0.000 18.082) 24.491 2.373 ( 39.987 -0.000 15.974) 43.059 2.533 ( 2.013 -0.000 -5.951) 6.282 3.286 ( 2.243 -0.000 -19.486) 19.614 3.292 ( 3.403 -0.000 -4.955) 6.011 3.935 ( 16.183 -0.000 3.540) 16.566 4.357 ( 13.388 -0.000 -8.054) 15.624 4.478 ( -3.724 0.000 5.983) 7.047 5.139 ( 8.931 -0.000 -0.399) 8.939 5.523 ( 1.244 -0.000 19.912) 19.951 5.527 ( 11.951 -0.000 -7.116) 13.909 6.205 ( 24.678 -0.000 -26.576) 36.267 6.258 ( 2.704 -0.000 18.739) 18.933 7.051 ( -2.517 0.000 -13.813) 14.041 7.391 ( -4.748 0.000 -5.885) 7.562 9.193 ( -18.632 0.000 0.090) 18.633 9.332 ( -16.646 0.000 -3.129) 16.937 9.800 ( -3.709 0.000 10.993) 11.602 10.479 ( 0.987 -0.000 2.515) 2.702 10.571 ( -6.712 0.000 -3.726) 7.677 10.800 ( -3.346 0.000 -4.189) 5.361 10.813 ( 4.866 -0.000 5.493) 7.339 11.278 ( 8.494 -0.000 -5.511) 10.125 11.704 ( 1.805 -0.000 -0.499) 1.873 11.808 ( 0.154 -0.000 -1.983) 1.989 14.103 ( -16.973 0.000 13.195) 21.498 14.222 ( -2.555 0.000 3.095) 4.014 21.610 ( 14.713 -0.000 5.610) 15.746 22.429 ( 1.361 -0.000 -6.640) 6.778 22.918 ( 1.877 -0.000 -3.440) 3.919 23.043 ( 34.095 -0.000 -27.845) 44.021 25.137 ( 5.381 -0.000 0.330) 5.391 25.331 ( 0.266 -0.000 -3.789) 3.799 26.704 ( -4.494 0.000 6.371) 7.796 26.912 ( -13.507 0.000 8.564) 15.993======================= Grid point 263 (80/180) =======================q-point: ( 0.18 0.09 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 485Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.644 ( 19.375 -4.414 13.142) 23.824 1.723 ( 17.745 -9.734 13.637) 24.405 2.573 ( 3.680 0.004 -2.521) 4.461 3.008 ( 27.720 -2.471 -1.533) 27.872 3.348 ( 8.768 1.617 -7.870) 11.893 3.414 ( 9.683 -3.702 -2.784) 10.734 4.009 ( -6.003 0.938 16.742) 17.810 4.425 ( -0.988 1.420 -0.189) 1.741 4.571 ( 10.716 -1.372 -1.950) 10.978 5.266 ( 7.806 -0.682 -7.412) 10.786 5.479 ( 1.524 9.415 12.353) 15.607 5.893 ( 24.991 -2.472 -2.935) 25.284 6.295 ( 4.012 2.164 12.793) 13.581 6.490 ( 11.213 1.190 -17.002) 20.401 7.005 ( -3.193 1.189 -14.117) 14.523 7.286 ( -7.976 0.080 -7.557) 10.988 8.791 ( -18.107 11.216 2.651) 21.463 9.132 ( -14.868 -9.049 -4.869) 18.074 9.769 ( -1.721 -1.359 9.846) 10.087 10.434 ( -6.577 2.186 -1.651) 7.125 10.478 ( -1.283 0.631 0.376) 1.478 10.731 ( -4.278 -0.146 -4.178) 5.981 10.878 ( 4.298 2.087 7.676) 9.042 11.413 ( 6.656 -0.138 -4.465) 8.016 11.684 ( 2.337 7.313 0.554) 7.698 11.892 ( 1.967 -8.097 -5.318) 9.885 13.860 ( -9.095 4.504 13.056) 16.536 14.242 ( -2.128 -9.170 -0.089) 9.414 21.862 ( 15.254 1.111 6.227) 16.513 22.394 ( -4.247 -1.516 -1.614) 4.789 22.925 ( 3.655 3.971 -3.330) 6.342 23.488 ( 17.573 2.145 -25.631) 31.150 25.275 ( 9.051 -1.716 -2.072) 9.442 25.386 ( 1.511 -7.326 -4.873) 8.927 26.590 ( -5.789 4.249 7.101) 10.099 26.732 ( -9.249 -1.971 8.840) 12.945======================= Grid point 264 (81/180) =======================q-point: ( 0.27 0.09 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 485Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.047 ( 19.009 -8.906 6.985) 22.124 2.122 ( 16.801 -9.455 9.357) 21.430 2.665 ( 6.900 -0.984 2.679) 7.467 3.193 ( 0.849 0.562 -12.430) 12.471 3.481 ( 6.471 1.485 -0.710) 6.677 3.701 ( 0.780 -1.146 2.779) 3.106 3.939 ( 13.932 1.117 8.618) 16.419 4.315 ( -9.160 -1.867 2.459) 9.667 4.801 ( 11.579 -2.518 6.067) 13.313 5.272 ( 0.540 13.350 3.651) 13.851 5.509 ( 5.597 -5.862 -3.673) 8.899 6.307 ( 17.036 -0.888 -7.920) 18.808 6.344 ( 8.210 3.069 7.990) 11.860 6.590 ( 3.588 1.982 -6.706) 7.860 6.909 ( -2.488 6.313 -11.866) 13.669 7.122 ( -11.775 0.142 -7.146) 13.775 8.421 ( -12.906 7.268 7.137) 16.442 9.029 ( -11.435 -11.922 -7.172) 18.009 9.763 ( -0.438 -0.664 8.621) 8.657 10.294 ( -6.320 2.691 -1.116) 6.959 10.452 ( -0.898 1.383 -0.930) 1.893 10.672 ( -3.977 -1.798 -5.062) 6.684 10.913 ( 3.580 3.401 9.401) 10.619 11.488 ( 3.468 1.676 -3.941) 5.511 11.651 ( 3.041 6.189 1.796) 7.126 12.010 ( 3.154 -5.098 -8.376) 10.301 13.698 ( -4.462 4.486 13.593) 14.993 14.333 ( -0.963 -11.035 -3.509) 11.619 22.057 ( 10.159 3.049 4.693) 11.599 22.348 ( -4.166 -3.473 -0.801) 5.482 22.954 ( 3.350 1.354 -1.011) 3.752 23.623 ( 6.692 6.882 -15.992) 18.652 25.415 ( 4.474 -3.077 -1.445) 5.619 25.552 ( 7.474 -7.181 -8.517) 13.415 26.453 ( -4.716 3.787 7.252) 9.443 26.629 ( -6.069 -1.867 6.621) 9.174======================= Grid point 265 (82/180) =======================q-point: ( 0.36 0.09 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 485Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.394 ( 9.363 -8.795 3.927) 13.433 2.514 ( 19.795 -6.699 7.425) 22.178 2.813 ( 9.089 -0.635 5.459) 10.622 3.152 ( -4.539 0.841 -3.248) 5.644 3.431 ( -7.262 6.720 -2.599) 10.230 3.646 ( 1.146 -0.524 3.945) 4.142 4.059 ( -3.849 1.033 -2.983) 4.978 4.372 ( 10.726 -1.465 -4.038) 11.554 4.863 ( -5.433 5.197 17.055) 18.639 5.261 ( 11.861 -0.458 -0.629) 11.886 5.636 ( -1.710 -7.301 -2.092) 7.785 6.293 ( -3.141 4.015 -11.608) 12.678 6.580 ( 0.293 3.122 -0.709) 3.215 6.623 ( 14.510 2.040 -0.481) 14.660 6.811 ( -3.465 3.743 -5.405) 7.432 6.898 ( -12.748 1.524 -4.459) 13.591 8.216 ( -6.604 1.085 10.759) 12.670 9.021 ( -6.767 -13.515 -8.374) 17.280 9.774 ( 1.608 -0.131 6.678) 6.870 10.173 ( -3.401 4.360 -0.552) 5.557 10.419 ( -1.038 1.261 -1.860) 2.475 10.636 ( -4.017 -3.166 -5.601) 7.585 10.923 ( 2.515 3.752 9.251) 10.295 11.499 ( 1.372 3.004 -4.024) 5.205 11.648 ( 3.875 5.018 2.877) 6.962 12.105 ( 3.689 -1.579 -9.992) 10.767 13.611 ( -0.937 3.155 14.872) 15.232 14.440 ( -0.054 -9.239 -5.790) 10.903 22.118 ( 1.128 2.023 2.708) 3.564 22.338 ( -1.675 -2.790 -1.662) 3.654 23.001 ( 2.762 -0.251 1.735) 3.271 23.606 ( 1.685 7.148 -9.623) 12.105 25.507 ( 2.385 -3.231 -1.091) 4.161 25.740 ( 7.844 -2.577 -9.444) 12.544 26.354 ( -3.482 1.865 6.829) 7.889 26.572 ( -3.011 -1.725 4.917) 6.018======================= Grid point 266 (83/180) =======================q-point: ( 0.45 0.09 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 485Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.553 ( 1.217 -3.525 7.860) 8.700 2.807 ( 8.615 4.578 2.820) 10.155 2.957 ( -5.102 0.991 0.832) 5.263 3.049 ( 7.571 -2.150 10.577) 13.184 3.276 ( -1.268 4.441 -10.604) 11.567 3.682 ( 1.788 0.028 2.249) 2.873 4.020 ( 0.706 -1.108 -4.315) 4.510 4.415 ( -9.134 0.622 -8.063) 12.200 4.698 ( -1.731 4.550 18.000) 18.646 5.459 ( -5.212 -3.181 2.563) 6.622 5.629 ( 4.346 -3.062 -5.326) 7.526 6.202 ( -5.153 0.676 -11.833) 12.924 6.492 ( -5.611 1.171 -0.056) 5.732 6.571 ( -14.936 -0.041 1.796) 15.043 6.724 ( -9.098 0.931 -5.519) 10.682 6.888 ( 14.157 1.440 -1.590) 14.318 8.154 ( -2.827 -2.880 13.299) 13.898 9.093 ( -2.542 -12.698 -8.457) 15.467 9.832 ( 5.187 -0.232 3.696) 6.373 10.088 ( -0.219 5.018 -0.403) 5.039 10.399 ( 0.101 0.739 -1.803) 1.951 10.597 ( -5.754 -4.138 -4.836) 8.580 10.919 ( 2.024 3.483 7.570) 8.575 11.480 ( 0.663 3.090 -4.298) 5.335 11.660 ( 3.976 4.734 3.606) 7.157 12.164 ( 3.451 1.727 -10.958) 11.617 13.596 ( 2.361 1.721 16.330) 16.589 14.530 ( 0.606 -5.849 -6.755) 8.956 22.075 ( -4.501 0.055 2.209) 5.014 22.334 ( -2.723 -2.649 -3.303) 5.035 23.040 ( 1.877 0.780 3.181) 3.775 23.540 ( -1.031 5.162 -6.270) 8.187 25.560 ( 1.023 -0.957 -0.651) 1.545 25.858 ( 5.872 2.117 -9.629) 11.475 26.299 ( -1.995 -0.525 6.896) 7.197 26.569 ( 0.078 -1.893 3.383) 3.877======================= Grid point 267 (84/180) =======================q-point: (-0.45 0.09 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 485Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.494 ( -8.250 5.285 9.044) 13.334 2.695 ( -5.633 11.559 2.539) 13.107 2.772 ( -5.831 6.666 2.039) 9.088 3.217 ( 2.870 2.446 -9.924) 10.617 3.377 ( 11.333 -4.978 1.367) 12.453 3.701 ( 2.770 1.439 3.929) 5.018 3.959 ( -18.349 0.995 -7.164) 19.723 4.280 ( 2.959 -4.409 4.057) 6.682 4.696 ( -0.219 -2.850 11.739) 12.082 5.188 ( -15.808 9.092 5.108) 18.938 5.706 ( -9.747 -2.118 -7.791) 12.657 6.136 ( -1.293 -4.973 -5.487) 7.517 6.325 ( -14.799 1.311 2.911) 15.140 6.401 ( -10.133 -4.589 -2.438) 11.387 6.574 ( -6.436 -4.090 -7.184) 10.477 7.099 ( 11.367 -0.247 -4.894) 12.378 8.177 ( 0.079 -5.765 15.097) 16.160 9.205 ( 0.666 -9.878 -8.154) 12.826 9.919 ( 5.847 3.608 1.727) 7.084 10.088 ( 4.665 -0.553 -0.719) 4.752 10.402 ( 0.876 0.734 -1.403) 1.809 10.537 ( -7.903 -5.842 -2.448) 10.128 10.916 ( 2.218 3.295 5.262) 6.592 11.458 ( 0.446 2.497 -4.661) 5.306 11.670 ( 3.560 4.881 3.620) 7.042 12.179 ( 2.431 4.467 -11.868) 12.912 13.650 ( 5.632 0.532 17.643) 18.528 14.588 ( 1.192 -1.860 -6.458) 6.825 21.971 ( -8.270 -0.387 2.691) 8.706 22.307 ( -5.550 -4.778 -4.526) 8.609 23.035 ( 0.780 4.220 3.317) 5.424 23.468 ( -2.762 1.917 -5.114) 6.120 25.556 ( -0.672 2.419 -0.190) 2.517 25.889 ( 3.607 6.064 -9.234) 11.622 26.304 ( 0.301 -2.687 6.434) 6.979 26.615 ( 2.684 -2.285 2.270) 4.193======================= Grid point 268 (85/180) =======================q-point: (-0.36 0.09 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 485Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.186 ( -12.832 14.510 8.235) 21.048 2.471 ( -5.933 18.520 3.247) 19.716 2.587 ( -7.859 0.802 0.102) 7.900 3.200 ( -3.109 3.233 -12.369) 13.157 3.422 ( -11.845 6.244 -4.859) 14.244 3.575 ( -11.372 1.847 -2.105) 11.712 3.846 ( 10.537 -4.695 11.738) 16.458 4.424 ( -3.910 -4.825 9.270) 11.158 4.639 ( -10.056 0.505 -3.050) 10.520 4.917 ( -0.488 2.990 14.284) 14.601 5.453 ( -15.867 0.384 -4.255) 16.432 5.940 ( -25.105 -1.287 -3.226) 25.344 6.150 ( -7.979 -1.274 11.365) 13.945 6.378 ( -4.063 -5.963 -9.141) 11.646 6.621 ( 2.352 -11.138 -14.324) 18.296 7.260 ( 7.206 -1.115 -8.469) 11.175 8.301 ( 4.671 -10.101 15.251) 18.879 9.330 ( 3.323 -6.508 -8.074) 10.889 9.949 ( 5.215 5.615 3.687) 8.504 10.228 ( 6.467 -4.041 -3.048) 8.212 10.389 ( -2.451 -0.836 -0.571) 2.652 10.493 ( -5.494 -7.397 1.008) 9.269 10.920 ( 2.650 3.345 2.960) 5.194 11.434 ( -0.201 2.420 -5.216) 5.753 11.672 ( 3.213 4.599 2.777) 6.260 12.148 ( 1.148 6.149 -12.920) 14.355 13.770 ( 8.884 -0.663 18.662) 20.679 14.610 ( 1.736 2.219 -4.994) 5.734 21.811 ( -11.267 -0.110 3.584) 11.824 22.251 ( -9.542 -7.149 -5.813) 13.265 22.974 ( 0.029 7.711 3.074) 8.301 23.405 ( -3.923 -0.161 -5.807) 7.010 25.484 ( -2.375 5.896 0.236) 6.361 25.853 ( 2.391 8.997 -9.102) 13.019 26.365 ( 2.228 -4.315 5.954) 7.684 26.708 ( 4.886 -3.094 1.737) 6.038======================= Grid point 269 (86/180) =======================q-point: (-0.27 0.09 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 485Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.794 ( -12.399 17.568 9.571) 23.536 2.083 ( -14.611 18.749 7.894) 25.046 2.478 ( -4.860 2.786 -2.347) 6.074 2.840 ( -21.755 13.144 2.903) 25.583 3.251 ( -2.848 0.204 -14.074) 14.360 3.493 ( 1.767 6.469 -6.273) 9.183 4.032 ( -12.811 3.789 11.405) 17.565 4.097 ( -7.628 -6.223 4.619) 10.874 4.539 ( -8.521 2.383 -3.324) 9.452 4.994 ( 0.231 -6.787 14.051) 15.606 5.275 ( -4.116 0.816 0.769) 4.266 5.588 ( -15.421 -2.457 -0.760) 15.634 6.004 ( -14.219 -4.004 3.725) 15.234 6.283 ( -8.056 0.580 -1.486) 8.212 6.847 ( 4.899 -13.820 -17.132) 22.550 7.370 ( 4.438 -1.466 -8.760) 9.929 8.563 ( 9.376 -15.979 12.637) 22.426 9.456 ( 4.974 -3.464 -7.755) 9.843 9.978 ( 4.861 4.649 6.344) 9.246 10.269 ( -5.477 -3.468 -0.778) 6.529 10.437 ( 3.010 -4.214 0.110) 5.179 10.515 ( -1.376 -7.844 0.768) 8.001 10.928 ( 2.717 3.225 0.950) 4.322 11.387 ( -1.549 3.873 -5.992) 7.301 11.678 ( 3.082 3.569 1.345) 4.903 12.089 ( 0.479 6.421 -13.814) 15.241 13.962 ( 12.087 -2.800 18.823) 22.545 14.596 ( 1.999 5.967 -2.567) 6.796 21.611 ( -11.978 0.510 4.055) 12.656 22.132 ( -15.587 -8.061 -7.353) 19.026 22.877 ( 0.039 9.134 2.838) 9.565 23.329 ( -4.576 1.610 -7.620) 9.033 25.356 ( -3.040 8.280 0.703) 8.848 25.772 ( 1.744 11.604 -9.912) 15.361 26.470 ( 3.216 -6.239 6.345) 9.462 26.844 ( 6.562 -4.288 1.470) 7.976======================= Grid point 270 (87/180) =======================q-point: (-0.18 0.09 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 485Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.400 ( -12.149 15.351 13.600) 23.837 1.622 ( -13.623 18.525 15.177) 27.552 2.222 ( -9.452 23.480 16.776) 30.366 2.512 ( -5.483 1.284 -6.627) 8.696 3.223 ( -0.799 -0.492 -18.151) 18.175 3.463 ( 3.964 7.908 -8.591) 12.331 3.576 ( -23.187 2.256 1.805) 23.366 4.141 ( -8.281 2.265 -6.561) 10.805 4.393 ( -1.882 -5.945 11.871) 13.409 4.943 ( -8.899 -1.322 4.853) 10.222 5.281 ( 2.919 -1.910 7.776) 8.523 5.519 ( -3.775 -3.341 5.669) 7.586 5.763 ( -13.443 0.147 -13.459) 19.023 6.179 ( -4.405 -1.306 16.449) 17.079 7.038 ( 2.451 -8.747 -17.112) 19.373 7.437 ( 1.968 -1.013 -6.587) 6.949 8.952 ( 10.897 -22.130 9.326) 26.372 9.562 ( 4.128 -1.507 -5.789) 7.268 9.992 ( 0.959 1.765 6.186) 6.504 10.225 ( -3.415 -2.737 4.088) 5.989 10.491 ( -2.513 -7.657 2.706) 8.501 10.621 ( 3.028 -5.294 -3.574) 7.069 10.931 ( 1.574 3.103 -0.471) 3.511 11.295 ( -2.330 6.367 -6.508) 9.398 11.694 ( 2.401 2.062 -0.086) 3.166 12.027 ( 0.453 6.213 -13.847) 15.183 14.230 ( 12.794 -6.743 15.710) 21.353 14.546 ( 1.827 8.164 0.467) 8.379 21.425 ( -8.604 0.934 3.757) 9.435 21.903 ( -19.591 -4.169 -7.324) 21.327 22.781 ( 0.280 8.522 2.556) 8.902 23.212 ( -3.552 6.970 -8.874) 11.830 25.218 ( -1.993 8.246 1.340) 8.589 25.654 ( 0.930 13.476 -10.502) 17.111 26.598 ( 2.443 -7.571 6.928) 10.549 27.015 ( 6.497 -6.203 0.327) 8.988======================= Grid point 271 (88/180) =======================q-point: (-0.09 0.09 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.132 ( 0.000 10.550 20.884) 23.398 1.294 ( 0.000 17.628 21.360) 27.695 1.841 ( 0.000 25.337 26.980) 37.012 2.475 ( -0.000 -0.607 -8.381) 8.403 3.233 ( -0.000 -1.851 -20.839) 20.921 3.324 ( 0.000 2.348 2.160) 3.190 3.422 ( 0.000 7.389 -9.054) 11.686 3.964 ( 0.000 5.315 -14.957) 15.873 4.528 ( -0.000 -13.366 15.989) 20.840 4.862 ( 0.000 0.109 2.486) 2.489 5.346 ( 0.000 0.469 -5.476) 5.496 5.413 ( -0.000 -1.312 17.456) 17.505 5.675 ( 0.000 3.235 -9.825) 10.343 6.164 ( -0.000 -2.354 23.755) 23.871 7.117 ( -0.000 -2.057 -16.874) 16.999 7.461 ( -0.000 -0.444 -4.584) 4.606 9.327 ( -0.000 -22.436 6.061) 23.240 9.616 ( -0.000 -1.732 -2.426) 2.981 9.999 ( -0.000 -1.726 3.350) 3.768 10.214 ( -0.000 -2.810 8.482) 8.935 10.562 ( -0.000 -9.049 2.061) 9.281 10.694 ( -0.000 -2.645 -4.834) 5.510 10.905 ( 0.000 3.810 -1.818) 4.221 11.196 ( 0.000 6.568 -6.141) 8.992 11.700 ( 0.000 0.863 -0.547) 1.022 11.957 ( 0.000 7.562 -11.597) 13.845 14.388 ( 0.000 4.478 5.869) 7.382 14.547 ( -0.000 -6.214 4.912) 7.921 21.337 ( 0.000 0.704 3.448) 3.520 21.692 ( 0.000 2.011 -3.869) 4.361 22.699 ( 0.000 6.382 2.353) 6.802 23.074 ( 0.000 11.456 -8.196) 14.086 25.122 ( 0.000 5.614 1.773) 5.887 25.510 ( 0.000 13.209 -9.230) 16.115 26.701 ( -0.000 -6.698 7.147) 9.795 27.159 ( -0.000 -7.162 -1.800) 7.385======================= Grid point 274 (89/180) =======================q-point: ( 0.18 0.18 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.942 ( 18.836 -0.000 8.119) 20.511 2.008 ( 21.662 -0.000 10.609) 24.120 2.654 ( 6.877 -0.000 1.853) 7.122 3.201 ( 1.573 -0.000 -12.829) 12.925 3.509 ( 7.471 -0.000 1.913) 7.712 3.671 ( 8.806 -0.000 0.066) 8.807 3.958 ( 10.400 -0.000 13.934) 17.388 4.289 ( -11.572 0.000 1.222) 11.636 4.785 ( 12.412 -0.000 4.284) 13.131 5.370 ( 4.312 -0.000 -6.888) 8.127 5.505 ( -4.612 0.000 5.616) 7.267 6.287 ( 19.229 -0.000 -7.866) 20.776 6.381 ( 7.822 -0.000 7.121) 10.578 6.612 ( 3.631 -0.000 -7.510) 8.342 6.978 ( -1.519 0.000 -11.147) 11.250 7.122 ( -12.153 0.000 -6.983) 14.016 8.557 ( -17.836 0.000 1.683) 17.915 8.838 ( -11.830 0.000 -3.976) 12.480 9.761 ( 1.086 -0.000 9.606) 9.667 10.316 ( -7.385 0.000 -0.140) 7.387 10.469 ( -0.972 0.000 -1.253) 1.586 10.648 ( -4.641 0.000 -4.137) 6.217 10.951 ( 2.916 -0.000 9.287) 9.734 11.507 ( 4.282 -0.000 -3.731) 5.679 11.838 ( 2.016 -0.000 -1.371) 2.438 11.848 ( 6.457 -0.000 -3.267) 7.236 13.792 ( -3.410 0.000 9.124) 9.741 14.159 ( -0.833 0.000 -1.267) 1.516 22.104 ( 12.060 -0.000 5.108) 13.097 22.291 ( -6.106 0.000 0.423) 6.120 22.974 ( 1.352 -0.000 -2.053) 2.458 23.718 ( 7.314 -0.000 -21.214) 22.440 25.371 ( 2.520 -0.000 -1.646) 3.010 25.466 ( 13.278 -0.000 -6.208) 14.658 26.515 ( -6.488 0.000 5.934) 8.792 26.589 ( -5.844 0.000 9.108) 10.822======================= Grid point 275 (90/180) =======================q-point: ( 0.27 0.18 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 485Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.246 ( 14.003 -3.757 3.678) 14.957 2.393 ( 22.052 -3.251 7.766) 23.605 2.810 ( 11.589 0.043 5.616) 12.878 3.164 ( -5.222 0.271 -4.085) 6.636 3.557 ( -5.298 4.342 -0.310) 6.857 3.633 ( 1.844 -1.269 3.572) 4.215 4.095 ( -7.451 1.715 -0.642) 7.673 4.316 ( 16.441 -2.718 -1.945) 16.777 4.932 ( 4.729 2.057 12.954) 13.942 5.342 ( -3.361 4.734 -2.045) 6.155 5.457 ( -2.327 -6.950 -0.604) 7.354 6.358 ( -2.166 1.501 -11.754) 12.046 6.627 ( -1.110 1.022 -1.454) 2.095 6.663 ( 17.928 1.201 0.048) 17.968 6.871 ( -15.471 1.246 -3.150) 15.837 6.934 ( -5.164 1.295 -7.431) 9.142 8.269 ( -12.496 3.136 5.304) 13.933 8.738 ( -7.372 -9.258 -6.115) 13.321 9.791 ( 3.045 0.960 9.322) 9.854 10.213 ( -4.615 0.034 0.716) 4.670 10.442 ( -1.741 0.579 -2.779) 3.330 10.587 ( -3.455 -0.973 -4.123) 5.467 10.980 ( 1.489 1.207 9.831) 10.016 11.551 ( 1.990 1.256 -3.769) 4.443 11.813 ( 4.968 8.729 0.179) 10.045 12.023 ( 6.084 -6.023 -5.627) 10.245 13.729 ( 0.208 6.092 8.565) 10.513 14.212 ( 0.252 -8.972 -3.311) 9.567 22.171 ( -3.017 2.445 1.594) 4.198 22.267 ( 1.468 -3.021 0.541) 3.402 23.001 ( 2.308 0.068 1.247) 2.624 23.751 ( 0.732 4.300 -13.854) 14.524 25.439 ( 3.855 -2.092 -0.361) 4.401 25.697 ( 12.865 -1.077 -8.202) 15.295 26.396 ( -5.974 1.535 6.219) 8.759 26.528 ( -3.149 -1.706 6.276) 7.226======================= Grid point 276 (91/180) =======================q-point: ( 0.36 0.18 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 485Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.462 ( 6.596 -3.782 4.575) 8.873 2.794 ( 20.308 -3.986 4.560) 21.191 2.975 ( 3.172 2.766 2.568) 4.930 3.058 ( -1.111 0.190 8.893) 8.965 3.406 ( -4.080 5.773 -8.670) 11.187 3.680 ( 2.115 -0.045 1.741) 2.740 4.012 ( -0.736 0.308 -0.983) 1.266 4.415 ( -8.571 -0.637 -7.114) 11.157 4.867 ( -1.070 9.274 15.110) 17.762 5.336 ( -0.742 -4.733 -1.336) 4.973 5.520 ( 0.301 -7.820 -2.546) 8.230 6.248 ( -7.015 2.951 -13.716) 15.686 6.537 ( -9.504 2.118 0.069) 9.738 6.570 ( -15.272 -0.084 3.118) 15.588 6.768 ( -11.150 2.338 -5.051) 12.461 6.927 ( 13.297 1.686 -1.821) 13.527 8.098 ( -7.495 -1.572 9.234) 11.997 8.779 ( -3.128 -13.002 -7.641) 15.401 9.847 ( 5.664 1.349 7.634) 9.601 10.156 ( -2.298 0.796 0.393) 2.464 10.410 ( -1.639 -0.394 -2.750) 3.225 10.545 ( -2.784 -0.220 -4.013) 4.889 10.981 ( 1.071 1.906 8.699) 8.970 11.552 ( 1.136 2.707 -4.330) 5.231 11.809 ( 5.647 8.241 1.802) 10.151 12.171 ( 6.266 -1.925 -7.968) 10.318 13.681 ( 2.703 6.207 10.479) 12.476 14.336 ( 0.906 -10.597 -5.083) 11.787 22.084 ( -5.084 0.626 1.212) 5.264 22.273 ( -4.317 -2.405 -2.593) 5.580 23.051 ( 3.716 0.285 3.923) 5.411 23.676 ( -2.365 5.803 -8.579) 10.624 25.529 ( 4.151 -1.462 0.572) 4.438 25.894 ( 10.408 1.116 -8.693) 13.607 26.295 ( -4.755 0.099 6.456) 8.019 26.518 ( -0.704 -2.267 3.503) 4.231======================= Grid point 277 (92/180) =======================q-point: (-0.55 0.18 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 485Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.538 ( -0.369 -0.360 6.926) 6.945 2.813 ( -11.181 2.348 6.276) 13.035 3.013 ( 5.241 10.034 -0.945) 11.360 3.244 ( 16.186 -3.330 4.658) 17.169 3.314 ( 0.067 3.176 -9.370) 9.894 3.720 ( 2.567 -0.232 0.767) 2.689 3.989 ( -9.964 2.207 -4.217) 11.043 4.181 ( -9.847 -3.665 4.497) 11.429 4.776 ( 1.794 8.650 6.636) 11.049 5.278 ( -10.249 -1.753 4.427) 11.301 5.590 ( -6.971 -6.859 -10.399) 14.275 6.083 ( -8.482 0.285 -6.481) 10.678 6.318 ( -14.220 -2.651 2.136) 14.622 6.370 ( -11.629 1.997 2.343) 12.030 6.537 ( -10.434 0.374 -5.700) 11.895 7.106 ( 9.884 0.853 -3.272) 10.446 8.038 ( -5.160 -6.200 12.467) 14.849 8.905 ( -0.653 -14.509 -8.007) 16.585 9.952 ( 7.856 0.673 4.311) 8.986 10.112 ( -1.390 0.758 0.691) 1.727 10.394 ( -3.823 -3.535 -1.549) 5.433 10.498 ( 0.091 3.713 -3.639) 5.199 10.980 ( 1.772 2.317 6.356) 6.993 11.536 ( 1.321 3.736 -5.040) 6.412 11.810 ( 5.076 7.745 2.896) 9.703 12.266 ( 5.416 2.452 -10.055) 11.681 13.688 ( 4.804 3.604 13.259) 14.555 14.464 ( 1.263 -8.805 -5.821) 10.630 21.979 ( -6.927 1.020 1.217) 7.107 22.201 ( -8.239 -4.416 -3.591) 10.014 23.105 ( 3.936 1.918 3.943) 5.892 23.558 ( -4.117 5.283 -5.249) 8.509 25.596 ( 3.345 1.207 1.212) 3.757 26.004 ( 6.172 4.337 -7.511) 10.645 26.251 ( -1.511 -2.115 5.689) 6.255 26.554 ( 1.429 -2.950 1.091) 3.455======================= Grid point 278 (93/180) =======================q-point: (-0.45 0.18 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 485Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.448 ( -6.199 7.954 8.761) 13.358 2.609 ( -9.425 1.599 0.793) 9.592 2.844 ( -7.475 14.254 -1.257) 16.144 3.270 ( -0.749 3.485 -11.599) 12.135 3.545 ( 12.478 -0.594 1.341) 12.564 3.602 ( -21.143 5.133 -3.153) 21.984 3.792 ( 6.121 0.042 6.091) 8.635 4.228 ( -3.337 -9.739 13.267) 16.792 4.711 ( -0.309 6.411 -5.230) 8.280 5.088 ( -7.666 7.637 10.477) 15.062 5.403 ( -17.006 -4.682 -2.989) 17.890 5.884 ( -24.043 -3.262 -4.403) 24.659 6.133 ( -15.025 -3.674 -3.058) 15.767 6.216 ( 1.918 -2.764 1.985) 3.906 6.479 ( -1.524 -2.988 -8.449) 9.091 7.237 ( 5.989 -0.788 -6.893) 9.165 8.068 ( -2.229 -10.714 15.238) 18.761 9.069 ( 0.643 -14.608 -7.893) 16.616 10.029 ( 1.514 1.452 1.994) 2.894 10.156 ( 6.124 -2.976 1.410) 6.953 10.332 ( -8.737 -5.002 0.014) 10.067 10.485 ( 4.710 6.671 -2.917) 8.671 10.989 ( 2.525 2.726 3.957) 5.429 11.515 ( 1.551 4.314 -5.727) 7.336 11.802 ( 3.867 7.120 3.053) 8.658 12.294 ( 3.681 6.161 -12.044) 14.020 13.761 ( 6.666 0.412 15.912) 17.257 14.568 ( 1.510 -5.757 -5.454) 8.073 21.824 ( -10.156 1.225 2.008) 10.425 22.112 ( -8.957 -5.195 -3.964) 11.088 23.127 ( 3.145 5.156 2.728) 6.627 23.435 ( -4.624 3.048 -3.414) 6.506 25.605 ( 1.708 4.845 1.627) 5.388 26.013 ( 2.382 5.450 -4.350) 7.369 26.287 ( 1.999 -2.612 2.687) 4.247 26.628 ( 3.000 -3.756 -0.626) 4.848======================= Grid point 279 (94/180) =======================q-point: (-0.36 0.18 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 485Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.161 ( -13.100 14.191 6.160) 20.272 2.391 ( -15.602 7.958 4.022) 17.970 2.567 ( -5.800 6.008 -2.992) 8.871 3.131 ( -8.914 11.066 -5.591) 15.270 3.298 ( -4.146 5.762 -6.371) 9.539 3.649 ( 6.345 7.059 -4.241) 10.396 3.962 ( 7.722 -4.230 9.630) 13.048 4.102 ( -19.359 -1.066 13.445) 23.594 4.604 ( -8.312 3.322 -5.632) 10.575 4.924 ( -2.093 1.608 10.623) 10.946 5.281 ( -3.036 -0.785 4.002) 5.084 5.515 ( -19.752 -3.532 -2.521) 20.223 5.926 ( -13.820 -3.479 0.099) 14.251 6.287 ( -2.683 -1.451 -0.686) 3.126 6.538 ( 2.064 -10.670 -15.139) 18.636 7.329 ( 3.388 -2.077 -9.812) 10.586 8.211 ( 1.770 -15.790 16.108) 22.625 9.246 ( 1.618 -13.791 -7.814) 15.933 10.021 ( -1.995 -0.809 4.496) 4.985 10.228 ( -4.305 -3.132 -0.496) 5.347 10.338 ( 5.535 -5.329 0.486) 7.698 10.476 ( 2.845 7.086 -1.003) 7.701 10.999 ( 2.502 3.044 2.057) 4.445 11.488 ( 1.236 4.958 -6.429) 8.213 11.783 ( 2.701 5.914 2.152) 6.849 12.257 ( 1.875 8.287 -13.837) 16.237 13.896 ( 7.874 -2.792 17.818) 19.679 14.639 ( 1.574 -2.185 -4.161) 4.957 21.629 ( -11.316 0.981 3.152) 11.787 22.009 ( -9.605 -3.387 -4.628) 11.187 23.086 ( 1.325 8.714 1.973) 9.033 23.349 ( -3.205 0.773 -3.179) 4.580 25.545 ( 0.021 8.306 1.857) 8.511 25.978 ( 1.534 6.593 -4.086) 7.906 26.359 ( 2.576 -3.367 1.975) 4.677 26.735 ( 3.885 -5.097 -1.571) 6.599======================= Grid point 280 (95/180) =======================q-point: (-0.27 0.18 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 485Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.721 ( -19.040 12.358 6.570) 23.630 2.033 ( -7.576 18.206 12.896) 23.562 2.474 ( -3.079 0.217 -8.061) 8.632 2.831 ( -2.743 23.523 4.004) 24.019 3.234 ( -0.276 2.221 -12.727) 12.923 3.653 ( 3.451 8.282 -4.412) 9.999 3.674 ( -19.223 6.348 6.601) 21.293 4.139 ( 5.253 -1.794 8.203) 9.905 4.371 ( -12.311 2.549 -1.412) 12.652 4.897 ( -5.688 -2.406 8.227) 10.287 5.248 ( 0.025 -3.309 11.783) 12.239 5.415 ( -2.352 -3.891 -4.389) 6.319 5.759 ( -8.420 -0.523 -8.646) 12.080 6.184 ( -5.822 1.973 9.054) 10.944 6.743 ( 2.543 -15.666 -16.147) 22.641 7.398 ( 1.726 -2.496 -9.429) 9.906 8.470 ( 4.137 -21.043 14.132) 25.684 9.420 ( 1.879 -11.605 -7.793) 14.104 9.972 ( -5.243 -2.478 4.916) 7.602 10.241 ( 2.370 -2.408 1.741) 3.801 10.411 ( -1.471 5.755 1.922) 6.244 10.491 ( 3.990 -5.739 -1.685) 7.190 11.000 ( 1.557 3.088 0.737) 3.536 11.439 ( 0.299 6.324 -7.008) 9.444 11.763 ( 1.692 4.172 0.672) 4.552 12.183 ( 0.722 8.326 -15.149) 17.301 14.076 ( 7.007 -6.538 18.294) 20.653 14.665 ( 1.145 1.657 -2.337) 3.085 21.448 ( -8.300 1.086 3.817) 9.200 21.868 ( -8.818 0.422 -4.866) 10.080 22.993 ( 0.303 9.757 2.041) 9.973 23.299 ( -1.645 1.748 -4.321) 4.943 25.432 ( -0.721 10.378 1.926) 10.580 25.913 ( 0.989 9.091 -6.412) 11.168 26.446 ( 1.817 -5.446 3.361) 6.653 26.865 ( 3.414 -6.887 -2.026) 7.949======================= Grid point 281 (96/180) =======================q-point: (-0.18 0.18 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.399 ( 0.000 12.236 12.667) 17.612 1.745 ( 0.000 21.396 15.582) 26.469 2.455 ( -0.000 -1.220 -9.448) 9.526 2.502 ( 0.000 30.999 12.644) 33.478 3.218 ( 0.000 0.818 -17.158) 17.177 3.407 ( 0.000 5.054 5.156) 7.220 3.612 ( 0.000 9.064 -5.573) 10.641 4.109 ( 0.000 7.049 -11.978) 13.898 4.307 ( -0.000 -6.333 16.965) 18.108 4.851 ( -0.000 -1.322 4.757) 4.937 5.359 ( 0.000 0.689 -5.429) 5.472 5.360 ( -0.000 -5.414 19.268) 20.014 5.694 ( 0.000 0.576 -17.918) 17.927 6.123 ( -0.000 -0.570 19.385) 19.393 6.932 ( -0.000 -13.737 -16.211) 21.249 7.437 ( -0.000 -1.857 -7.564) 7.789 8.775 ( -0.000 -24.673 11.779) 27.340 9.545 ( -0.000 -7.111 -7.138) 10.076 9.948 ( -0.000 -2.644 4.211) 4.972 10.278 ( 0.000 8.188 4.551) 9.368 10.363 ( -0.000 -8.587 2.790) 9.029 10.591 ( -0.000 -5.768 -2.969) 6.488 10.979 ( 0.000 3.112 -0.042) 3.112 11.361 ( 0.000 7.580 -7.044) 10.348 11.741 ( 0.000 2.745 -0.387) 2.772 12.104 ( 0.000 6.952 -15.466) 16.957 14.239 ( -0.000 -9.723 16.716) 19.338 14.636 ( 0.000 5.370 -0.603) 5.404 21.359 ( 0.000 1.223 3.876) 4.064 21.753 ( 0.000 3.335 -4.245) 5.398 22.887 ( 0.000 9.680 2.227) 9.933 23.250 ( 0.000 4.385 -6.106) 7.518 25.307 ( 0.000 10.272 1.814) 10.431 25.805 ( 0.000 11.845 -9.336) 15.082 26.534 ( -0.000 -7.284 5.379) 9.055 26.983 ( -0.000 -8.113 -1.956) 8.345======================= Grid point 286 (97/180) =======================q-point: ( 0.27 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.416 ( 8.491 -0.000 3.452) 9.166 2.740 ( 21.257 -0.000 4.841) 21.802 3.032 ( -9.633 0.000 6.634) 11.697 3.036 ( 14.216 -0.000 4.127) 14.802 3.480 ( -4.715 0.000 -7.157) 8.570 3.679 ( 1.780 -0.000 2.058) 2.721 4.018 ( -0.781 0.000 0.222) 0.812 4.402 ( -8.036 0.000 -5.773) 9.895 5.014 ( 3.794 -0.000 14.819) 15.297 5.297 ( -7.193 0.000 -2.906) 7.758 5.371 ( 1.599 -0.000 -3.129) 3.513 6.289 ( -7.204 0.000 -15.550) 17.138 6.561 ( -16.137 0.000 2.260) 16.294 6.571 ( -10.363 0.000 2.602) 10.685 6.799 ( -11.585 0.000 -4.957) 12.601 6.948 ( 13.147 -0.000 -2.119) 13.317 8.086 ( -10.910 0.000 6.908) 12.913 8.615 ( -1.597 0.000 -6.790) 6.975 9.868 ( 5.307 -0.000 9.369) 10.768 10.156 ( -2.442 0.000 0.528) 2.498 10.399 ( -3.746 0.000 -3.480) 5.113 10.551 ( -0.184 0.000 -3.271) 3.276 11.002 ( 0.783 -0.000 9.307) 9.339 11.583 ( 1.237 -0.000 -4.266) 4.442 11.953 ( 4.779 -0.000 0.070) 4.780 12.104 ( 8.335 -0.000 -4.711) 9.574 13.800 ( 3.012 -0.000 5.672) 6.422 14.166 ( 0.937 -0.000 -3.120) 3.258 22.093 ( -5.243 0.000 0.610) 5.278 22.244 ( -4.685 0.000 -2.097) 5.133 23.054 ( 4.159 -0.000 4.251) 5.947 23.748 ( -3.415 0.000 -10.032) 10.597 25.510 ( 5.775 -0.000 1.369) 5.935 25.906 ( 12.273 -0.000 -8.241) 14.783 26.298 ( -6.240 0.000 6.185) 8.786 26.489 ( -0.724 0.000 3.673) 3.744======================= Grid point 287 (98/180) =======================q-point: ( 0.36 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 485Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.518 ( 3.066 -0.798 4.446) 5.460 2.834 ( -10.074 0.061 7.365) 12.479 3.117 ( 18.934 -0.236 5.100) 19.610 3.232 ( 10.053 2.373 0.921) 10.370 3.389 ( -4.901 2.252 -9.225) 10.687 3.701 ( 1.268 -0.891 -0.382) 1.596 4.050 ( 0.725 2.385 1.984) 3.186 4.122 ( -18.927 -1.661 0.679) 19.012 5.010 ( 2.796 10.114 7.281) 12.772 5.189 ( -8.001 -3.448 -1.513) 8.843 5.414 ( -5.699 -8.225 -9.014) 13.468 6.114 ( -13.088 1.445 -10.561) 16.880 6.274 ( -15.081 -1.177 7.526) 16.896 6.413 ( -10.052 1.428 3.254) 10.662 6.556 ( -14.011 0.674 -6.421) 15.427 7.127 ( 8.613 0.667 -2.613) 9.025 7.931 ( -9.184 -2.765 9.617) 13.582 8.654 ( 1.085 -6.485 -7.894) 10.274 9.966 ( 7.004 0.482 7.912) 10.578 10.114 ( -3.211 -0.191 0.271) 3.228 10.329 ( -5.753 -1.680 -2.211) 6.388 10.574 ( 3.993 1.971 -3.428) 5.620 11.015 ( 1.512 0.792 7.393) 7.587 11.596 ( 1.422 1.443 -5.067) 5.457 11.993 ( 5.640 7.154 1.261) 9.197 12.258 ( 7.059 -2.702 -5.725) 9.482 13.817 ( 4.309 6.666 6.346) 10.162 14.242 ( 1.292 -9.010 -3.733) 9.838 22.009 ( -4.705 1.365 -0.081) 4.899 22.121 ( -10.367 -2.455 -2.625) 10.973 23.129 ( 4.851 0.450 4.548) 6.664 23.655 ( -5.587 2.624 -6.507) 8.969 25.613 ( 6.258 0.379 2.479) 6.742 26.080 ( 9.042 2.272 -7.056) 11.692 26.210 ( -4.211 -1.378 5.957) 7.424 26.500 ( 1.027 -1.502 0.512) 1.890======================= Grid point 288 (99/180) =======================q-point: (-0.55 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 485Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.532 ( -1.080 0.906 4.036) 4.275 2.656 ( -10.640 1.729 6.497) 12.586 3.098 ( -13.347 8.637 -3.207) 16.218 3.343 ( 1.693 2.502 -7.532) 8.116 3.482 ( 16.033 -2.892 4.131) 16.807 3.722 ( -7.161 2.946 -1.982) 7.993 3.789 ( -3.082 -1.284 3.511) 4.845 4.102 ( -1.644 -0.182 9.830) 9.968 4.900 ( -4.298 9.678 -9.744) 14.390 5.132 ( -1.054 -3.869 10.547) 11.284 5.298 ( -15.306 -3.797 -5.763) 16.790 5.821 ( -23.208 -1.809 -4.346) 23.681 6.044 ( -15.566 -2.290 -2.607) 15.948 6.253 ( -3.813 3.435 4.720) 6.972 6.429 ( -2.599 -2.211 -5.967) 6.873 7.227 ( 4.335 -0.122 -4.567) 6.298 7.851 ( -7.346 -7.853 12.232) 16.287 8.774 ( 1.724 -10.325 -8.633) 13.569 10.041 ( -2.691 0.086 1.948) 3.323 10.101 ( 5.635 -1.711 4.828) 7.615 10.244 ( -7.368 -2.755 0.542) 7.885 10.629 ( 6.802 4.893 -4.447) 9.486 11.036 ( 2.429 1.467 4.950) 5.705 11.600 ( 1.805 2.830 -5.946) 6.828 11.988 ( 4.817 9.188 2.437) 10.657 12.376 ( 5.264 0.435 -8.001) 9.587 13.822 ( 4.904 5.440 9.403) 11.919 14.378 ( 1.418 -10.468 -4.350) 11.424 21.860 ( -10.826 1.907 0.513) 11.004 22.018 ( -5.954 -3.388 -2.585) 7.322 23.196 ( 4.308 1.472 2.981) 5.442 23.519 ( -6.369 3.523 -3.696) 8.163 25.693 ( 5.144 2.886 3.026) 6.629 26.098 ( -1.011 2.330 2.629) 3.655 26.249 ( 4.760 -0.905 -2.470) 5.438 26.553 ( 2.442 -2.709 -2.364) 4.347======================= Grid point 289 (100/180) =======================q-point: (-0.45 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 485Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.383 ( -18.688 5.714 1.836) 19.628 2.484 ( -3.121 1.968 0.952) 3.811 2.721 ( -16.450 6.902 4.587) 18.419 3.297 ( -1.150 5.979 -10.269) 11.938 3.510 ( -2.314 9.902 -1.837) 10.333 3.759 ( 11.606 1.237 1.174) 11.731 3.901 ( 8.241 -2.667 6.865) 11.053 4.008 ( -11.470 -3.073 13.856) 18.248 4.670 ( -14.047 2.071 -6.334) 15.548 5.042 ( -8.082 7.077 6.614) 12.615 5.241 ( 1.687 -2.236 5.221) 5.925 5.447 ( -19.294 -2.744 -4.304) 19.957 5.822 ( -15.170 -5.361 -6.636) 17.404 6.232 ( 1.809 -0.646 -0.569) 2.004 6.431 ( -1.424 -1.675 -7.971) 8.268 7.286 ( 1.823 -1.651 -8.845) 9.181 7.873 ( -4.161 -13.757 15.582) 21.198 8.933 ( 1.717 -12.823 -8.975) 15.745 9.984 ( -5.015 -1.948 3.974) 6.689 10.143 ( -5.911 -3.492 1.165) 6.964 10.248 ( 6.001 -2.730 4.333) 7.889 10.672 ( 6.435 7.973 -4.889) 11.353 11.058 ( 2.433 2.115 2.959) 4.376 11.592 ( 1.776 3.991 -6.732) 8.025 11.950 ( 3.080 9.229 2.812) 10.127 12.416 ( 3.177 4.850 -10.917) 12.361 13.868 ( 5.044 1.077 13.087) 14.067 14.510 ( 1.279 -8.896 -4.271) 9.951 21.651 ( -11.763 0.884 2.578) 12.074 21.964 ( -4.053 -0.996 -3.696) 5.574 23.230 ( 2.829 3.794 1.231) 4.890 23.383 ( -5.133 2.482 -1.711) 5.952 25.710 ( 3.021 6.271 3.206) 7.664 26.062 ( -0.729 1.341 4.013) 4.294 26.326 ( 3.834 0.033 -3.288) 5.051 26.634 ( 2.841 -3.707 -4.205) 6.284======================= Grid point 290 (101/180) =======================q-point: (-0.36 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 485Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.938 ( -21.489 7.404 2.257) 22.841 2.390 ( -1.191 11.082 9.882) 14.895 2.471 ( -7.318 1.956 -4.764) 8.948 3.197 ( -0.770 8.496 -10.612) 13.615 3.394 ( 3.238 12.135 -0.227) 12.561 3.773 ( -14.435 3.513 10.303) 18.079 3.850 ( 4.940 6.863 -1.520) 8.591 4.092 ( 8.572 -2.782 10.584) 13.901 4.421 ( -13.212 0.814 -1.841) 13.365 4.880 ( -6.266 2.141 7.137) 9.736 5.119 ( -8.589 -5.516 11.422) 15.319 5.397 ( 0.278 0.784 -6.950) 7.000 5.716 ( -3.495 -4.411 -9.880) 11.370 6.239 ( -2.871 1.903 4.730) 5.851 6.452 ( 0.184 -7.929 -15.088) 17.045 7.334 ( 0.922 -3.019 -11.438) 11.865 8.019 ( -0.699 -19.153 16.949) 25.585 9.112 ( 1.418 -14.377 -8.980) 17.010 9.916 ( -5.424 -2.315 5.320) 7.942 10.127 ( -1.740 -5.383 3.477) 6.640 10.375 ( 3.958 -4.250 1.876) 6.103 10.650 ( 3.489 11.210 -3.855) 12.357 11.065 ( 1.462 2.620 1.628) 3.413 11.567 ( 1.139 4.989 -7.298) 8.913 11.892 ( 1.396 7.743 2.187) 8.166 12.379 ( 1.290 8.184 -13.523) 15.860 13.958 ( 3.891 -3.443 16.049) 16.869 14.612 ( 0.850 -6.156 -3.591) 7.177 21.472 ( -7.859 1.012 4.081) 8.913 21.898 ( -3.277 1.804 -4.609) 5.936 23.186 ( -0.289 7.118 0.938) 7.185 23.320 ( -1.067 0.509 -1.498) 1.908 25.655 ( 0.964 9.273 3.106) 9.827 26.039 ( 0.087 2.268 2.855) 3.647 26.377 ( 1.995 -0.712 -2.689) 3.424 26.726 ( 2.078 -5.265 -4.771) 7.403======================= Grid point 291 (102/180) =======================q-point: (-0.27 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.643 ( 0.000 9.407 6.397) 11.376 2.199 ( 0.000 18.578 13.983) 23.252 2.422 ( -0.000 -1.683 -10.470) 10.604 3.071 ( 0.000 15.768 -6.202) 16.944 3.316 ( 0.000 10.463 -3.437) 11.013 3.538 ( 0.000 6.388 9.146) 11.156 3.809 ( 0.000 8.587 -2.462) 8.933 4.225 ( -0.000 -1.596 14.262) 14.351 4.239 ( 0.000 3.668 -7.278) 8.150 4.811 ( -0.000 -1.513 7.321) 7.475 5.165 ( -0.000 -10.245 14.527) 17.777 5.374 ( 0.000 0.553 -5.480) 5.508 5.725 ( 0.000 0.901 -16.976) 17.000 6.157 ( 0.000 3.564 12.169) 12.680 6.592 ( -0.000 -14.482 -15.843) 21.465 7.378 ( -0.000 -3.240 -10.784) 11.260 8.253 ( -0.000 -22.299 15.629) 27.230 9.288 ( -0.000 -14.464 -8.585) 16.819 9.890 ( -0.000 -2.412 5.345) 5.864 10.187 ( -0.000 -7.082 3.997) 8.133 10.462 ( -0.000 -5.048 0.122) 5.050 10.539 ( 0.000 13.005 -1.686) 13.114 11.046 ( 0.000 2.904 0.930) 3.049 11.515 ( 0.000 6.101 -7.457) 9.635 11.829 ( 0.000 5.563 1.127) 5.676 12.289 ( 0.000 9.257 -15.058) 17.676 14.054 ( -0.000 -6.670 17.649) 18.868 14.669 ( -0.000 -2.579 -2.765) 3.781 21.389 ( 0.000 1.364 4.417) 4.623 21.832 ( 0.000 3.580 -4.716) 5.921 23.095 ( 0.000 8.398 1.510) 8.533 23.304 ( 0.000 1.156 -2.560) 2.808 25.548 ( 0.000 10.818 2.702) 11.150 26.001 ( 0.000 5.304 -1.025) 5.402 26.413 ( -0.000 -3.013 -0.321) 3.030 26.813 ( -0.000 -6.873 -4.108) 8.007======================= Grid point 298 (103/180) =======================q-point: ( 0.36 -0.64 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.537 ( -0.513 0.000 1.728) 1.803 2.672 ( -9.636 0.000 8.710) 12.989 3.206 ( -19.112 0.000 -2.767) 19.311 3.379 ( 5.532 -0.000 -5.389) 7.723 3.435 ( 18.115 -0.000 5.336) 18.884 3.714 ( 1.388 -0.000 0.463) 1.463 3.792 ( -12.587 0.000 0.434) 12.595 4.133 ( 1.434 -0.000 7.826) 7.956 5.023 ( -14.938 0.000 -1.409) 15.005 5.102 ( 0.149 -0.000 -14.478) 14.479 5.212 ( -4.039 0.000 6.861) 7.962 5.804 ( -23.893 0.000 -3.571) 24.158 6.022 ( -16.397 0.000 0.055) 16.397 6.319 ( -1.759 0.000 10.072) 10.225 6.381 ( -6.217 0.000 -11.404) 12.988 7.227 ( 3.401 -0.000 -3.417) 4.821 7.758 ( -9.109 0.000 10.442) 13.856 8.654 ( 2.596 -0.000 -9.118) 9.480 10.041 ( -5.333 0.000 1.436) 5.523 10.083 ( 6.373 -0.000 6.360) 9.004 10.213 ( -6.445 0.000 1.016) 6.525 10.684 ( 7.171 -0.000 -4.660) 8.553 11.053 ( 2.397 -0.000 5.340) 5.853 11.632 ( 1.789 -0.000 -5.915) 6.179 12.131 ( 5.398 -0.000 1.125) 5.514 12.346 ( 5.642 -0.000 -4.298) 7.093 13.939 ( 4.588 -0.000 4.250) 6.254 14.202 ( 1.085 -0.000 -2.501) 2.726 21.891 ( -13.913 0.000 -0.405) 13.919 21.971 ( -1.954 0.000 -1.776) 2.640 23.210 ( 4.425 -0.000 3.223) 5.475 23.561 ( -7.071 0.000 -4.163) 8.206 25.726 ( 6.514 -0.000 3.660) 7.472 26.123 ( -4.029 0.000 6.711) 7.828 26.240 ( 7.336 -0.000 -5.702) 9.292 26.521 ( 2.545 -0.000 -3.135) 4.038======================= Grid point 300 (104/180) =======================q-point: (-0.55 0.36 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 485Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.455 ( -18.285 1.537 0.701) 18.363 2.499 ( -4.396 -0.274 -2.307) 4.972 2.845 ( -15.948 3.466 13.253) 21.023 3.414 ( 1.073 3.522 -8.374) 9.147 3.659 ( 0.341 3.254 -3.959) 5.136 3.730 ( 11.701 -1.851 6.094) 13.322 3.775 ( 3.345 -4.655 6.262) 8.490 4.075 ( -4.690 4.092 8.311) 10.383 4.680 ( -21.697 -0.744 -2.744) 21.883 5.161 ( -0.173 2.278 -8.030) 8.348 5.207 ( 5.107 -0.275 7.342) 8.948 5.398 ( -22.320 -1.132 -2.132) 22.450 5.741 ( -17.122 -1.627 -4.671) 17.822 6.282 ( 1.005 4.160 -1.103) 4.420 6.377 ( 0.098 -3.653 -4.463) 5.768 7.259 ( 0.508 -0.717 -6.337) 6.398 7.649 ( -7.262 -5.499 12.604) 15.551 8.725 ( 2.324 -5.083 -10.544) 11.933 9.950 ( -5.783 -0.860 3.802) 6.974 10.089 ( -5.915 -1.278 1.417) 6.215 10.211 ( 5.347 -0.747 7.338) 9.110 10.790 ( 6.892 2.593 -6.003) 9.500 11.090 ( 2.451 0.739 3.429) 4.279 11.653 ( 1.674 1.407 -6.761) 7.105 12.162 ( 4.066 7.973 1.771) 9.123 12.440 ( 3.641 -2.098 -5.243) 6.719 13.961 ( 3.668 6.362 5.729) 9.314 14.284 ( 1.098 -9.599 -2.568) 9.997 21.665 ( -12.363 0.350 2.313) 12.583 21.953 ( -0.911 -0.168 -3.453) 3.575 23.272 ( 3.311 0.618 1.364) 3.634 23.436 ( -6.509 1.528 -1.991) 6.976 25.810 ( 4.805 2.415 4.180) 6.811 26.070 ( -2.241 -0.048 6.784) 7.145 26.334 ( 4.229 0.263 -3.879) 5.745 26.578 ( 3.195 -1.246 -6.107) 7.004======================= Grid point 301 (105/180) =======================q-point: (-0.45 0.36 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 485Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.060 ( -20.894 3.642 0.062) 21.209 2.419 ( -5.430 -1.131 -8.666) 10.289 2.652 ( -2.679 7.091 18.841) 20.309 3.357 ( -0.249 6.656 -9.002) 11.198 3.612 ( 1.411 6.052 -2.637) 6.750 3.809 ( -5.967 -0.175 13.730) 14.972 3.946 ( 7.227 1.029 3.251) 7.991 4.015 ( 6.937 -1.924 5.135) 8.843 4.388 ( -15.499 -3.245 1.452) 15.901 4.979 ( -13.464 4.027 2.662) 14.303 5.098 ( -4.316 4.686 9.712) 11.615 5.400 ( 2.844 -1.511 -9.052) 9.608 5.560 ( -6.122 -7.500 -10.575) 14.337 6.277 ( 2.513 2.726 -1.202) 3.898 6.390 ( -1.899 -0.623 -8.253) 8.491 7.274 ( -0.190 -2.103 -11.635) 11.825 7.656 ( -3.545 -12.350 16.918) 21.244 8.838 ( 1.457 -9.321 -11.241) 14.675 9.875 ( -4.513 -1.279 5.827) 7.480 10.031 ( -3.205 -3.067 4.087) 6.032 10.304 ( 3.513 -2.059 5.307) 6.689 10.840 ( 4.154 5.499 -6.444) 9.435 11.112 ( 1.475 1.490 2.159) 3.010 11.653 ( 1.037 2.663 -7.400) 7.933 12.104 ( 1.887 10.611 2.502) 11.065 12.493 ( 1.742 1.200 -8.239) 8.506 13.953 ( 2.372 3.467 9.435) 10.328 14.416 ( 0.704 -10.630 -3.067) 11.086 21.491 ( -7.494 0.624 4.324) 8.674 21.935 ( -0.648 1.318 -4.755) 4.977 23.297 ( 0.636 2.640 0.036) 2.716 23.333 ( -2.649 1.015 -0.468) 2.875 25.824 ( 2.213 5.516 4.249) 7.306 26.049 ( -0.765 -0.411 6.815) 6.871 26.382 ( 2.066 0.322 -3.489) 4.067 26.642 ( 2.014 -2.180 -7.303) 7.883======================= Grid point 302 (106/180) =======================q-point: (-0.36 0.36 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.813 ( 0.000 5.846 2.609) 6.402 2.383 ( -0.000 -1.713 -11.150) 11.280 2.536 ( 0.000 11.231 17.210) 20.550 3.275 ( 0.000 7.392 -10.047) 12.473 3.567 ( 0.000 7.721 -0.742) 7.756 3.678 ( 0.000 5.969 12.816) 14.137 3.969 ( 0.000 4.749 -0.872) 4.828 4.194 ( -0.000 -2.892 10.368) 10.764 4.243 ( -0.000 -3.073 0.920) 3.208 4.817 ( 0.000 2.050 4.578) 5.016 5.028 ( 0.000 0.583 11.092) 11.108 5.382 ( 0.000 0.139 -5.836) 5.838 5.656 ( -0.000 -7.817 -15.685) 17.525 6.259 ( 0.000 4.891 5.984) 7.729 6.382 ( -0.000 -3.714 -15.320) 15.763 7.303 ( -0.000 -3.194 -13.045) 13.430 7.799 ( -0.000 -17.712 18.093) 25.319 8.974 ( -0.000 -12.562 -10.652) 16.471 9.847 ( -0.000 -1.386 6.305) 6.456 10.052 ( -0.000 -4.974 4.884) 6.970 10.365 ( -0.000 -3.346 3.612) 4.924 10.796 ( 0.000 8.845 -5.660) 10.501 11.104 ( 0.000 2.133 1.578) 2.653 11.626 ( 0.000 3.845 -7.616) 8.531 12.002 ( 0.000 9.968 2.557) 10.291 12.469 ( 0.000 5.563 -11.501) 12.776 13.962 ( -0.000 -0.943 13.249) 13.283 14.533 ( -0.000 -9.081 -3.324) 9.670 21.417 ( 0.000 1.055 4.903) 5.015 21.904 ( 0.000 2.709 -5.135) 5.806 23.243 ( 0.000 4.776 0.566) 4.809 23.321 ( 0.000 0.564 -0.903) 1.065 25.764 ( 0.000 8.190 3.882) 9.064 26.047 ( -0.000 -0.143 6.189) 6.191 26.395 ( 0.000 0.421 -3.812) 3.835 26.692 ( -0.000 -3.781 -6.877) 7.848======================= Grid point 311 (107/180) =======================q-point: ( 0.45 -0.55 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.101 ( -20.471 0.000 -0.509) 20.478 2.404 ( -5.719 0.000 -9.282) 10.903 2.733 ( -2.721 0.000 23.451) 23.608 3.444 ( 0.273 -0.000 -8.189) 8.194 3.673 ( 0.190 -0.000 -4.334) 4.339 3.793 ( 1.999 -0.000 12.192) 12.355 3.924 ( 10.956 -0.000 5.702) 12.351 4.032 ( -2.563 0.000 4.843) 5.480 4.336 ( -17.162 0.000 2.652) 17.365 5.017 ( -15.673 0.000 1.971) 15.796 5.225 ( 0.914 -0.000 14.600) 14.629 5.319 ( 5.688 -0.000 -22.081) 22.802 5.483 ( -11.562 0.000 -5.473) 12.792 6.349 ( 0.921 -0.000 3.760) 3.872 6.352 ( 1.665 -0.000 -12.434) 12.544 7.249 ( -0.623 0.000 -10.710) 10.728 7.513 ( -4.677 0.000 15.447) 16.139 8.729 ( 1.426 -0.000 -12.522) 12.603 9.861 ( -3.914 0.000 6.030) 7.189 9.996 ( -3.881 0.000 4.230) 5.741 10.282 ( 3.310 -0.000 6.735) 7.504 10.899 ( 4.149 -0.000 -7.031) 8.164 11.128 ( 1.515 -0.000 2.336) 2.784 11.683 ( 0.955 -0.000 -7.405) 7.466 12.270 ( 2.462 -0.000 1.109) 2.700 12.465 ( 1.648 -0.000 -3.483) 3.853 14.058 ( 2.072 -0.000 3.851) 4.373 14.230 ( 0.472 -0.000 -1.225) 1.313 21.498 ( -7.363 0.000 4.419) 8.587 21.950 ( 0.145 -0.000 -4.839) 4.841 23.318 ( 1.782 -0.000 0.023) 1.783 23.353 ( -4.134 0.000 -0.568) 4.173 25.887 ( 2.477 -0.000 4.837) 5.434 26.044 ( -0.791 0.000 7.027) 7.071 26.383 ( 1.783 -0.000 -2.779) 3.302 26.621 ( 2.305 -0.000 -8.121) 8.442======================= Grid point 313 (108/180) =======================q-point: (-0.45 0.45 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 270Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.902 ( 0.000 2.072 0.937) 2.274 2.353 ( -0.000 -0.811 -11.511) 11.539 2.697 ( 0.000 3.514 23.451) 23.713 3.422 ( 0.000 4.369 -8.025) 9.137 3.664 ( 0.000 2.114 -3.990) 4.516 3.788 ( 0.000 3.257 15.585) 15.922 4.018 ( 0.000 0.240 1.399) 1.419 4.092 ( -0.000 -3.988 5.792) 7.032 4.156 ( -0.000 -3.203 5.601) 6.452 4.868 ( 0.000 1.586 1.757) 2.367 5.169 ( 0.000 8.747 9.628) 13.008 5.381 ( -0.000 -0.071 -6.284) 6.285 5.441 ( -0.000 -9.407 -16.689) 19.158 6.344 ( 0.000 2.214 2.883) 3.635 6.366 ( 0.000 0.490 -12.977) 12.986 7.250 ( -0.000 -1.353 -14.070) 14.135 7.512 ( -0.000 -7.027 18.340) 19.640 8.770 ( -0.000 -5.040 -12.901) 13.850 9.828 ( -0.000 -0.330 6.886) 6.894 9.973 ( -0.000 -1.921 5.265) 5.605 10.316 ( -0.000 -1.082 6.089) 6.185 10.920 ( 0.000 2.578 -7.198) 7.646 11.137 ( 0.000 0.787 1.908) 2.064 11.684 ( 0.000 1.306 -7.656) 7.766 12.234 ( 0.000 8.875 1.738) 9.044 12.499 ( -0.000 -2.301 -5.014) 5.517 14.027 ( 0.000 5.985 5.715) 8.276 14.304 ( -0.000 -9.941 -1.827) 10.108 21.433 ( 0.000 0.395 5.188) 5.203 21.947 ( 0.000 1.006 -5.379) 5.472 23.310 ( 0.000 1.362 0.064) 1.363 23.331 ( 0.000 0.292 -0.505) 0.584 25.891 ( 0.000 2.849 4.900) 5.668 26.039 ( -0.000 -0.156 7.028) 7.029 26.399 ( -0.000 -0.127 -2.736) 2.738 26.645 ( -0.000 -0.771 -8.461) 8.496======================= Grid point 375 (109/180) =======================q-point: ( 0.00 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.484 ( 0.000 0.000 24.522) 24.522 1.590 ( 0.000 0.000 26.777) 26.777 2.090 ( 0.000 0.000 20.113) 20.113 2.268 ( 0.000 0.000 -14.700) 14.700 2.846 ( 0.000 0.000 -17.480) 17.480 3.120 ( 0.000 0.000 -12.890) 12.890 3.338 ( 0.000 0.000 3.093) 3.093 3.615 ( 0.000 0.000 -12.634) 12.634 4.911 ( 0.000 0.000 9.737) 9.737 4.944 ( 0.000 0.000 6.204) 6.204 5.219 ( 0.000 0.000 -7.063) 7.063 5.334 ( 0.000 0.000 -10.943) 10.943 5.964 ( 0.000 0.000 23.573) 23.573 6.654 ( 0.000 0.000 22.753) 22.753 6.785 ( 0.000 0.000 -18.659) 18.659 7.330 ( 0.000 0.000 -10.955) 10.955 9.616 ( 0.000 0.000 1.731) 1.731 9.652 ( 0.000 0.000 -0.491) 0.491 10.142 ( 0.000 0.000 9.703) 9.703 10.420 ( 0.000 0.000 3.726) 3.726 10.591 ( 0.000 0.000 -5.270) 5.270 10.624 ( 0.000 0.000 -12.409) 12.409 10.829 ( 0.000 0.000 5.692) 5.692 11.020 ( 0.000 0.000 -4.647) 4.647 11.711 ( 0.000 0.000 0.746) 0.746 11.768 ( 0.000 0.000 -2.052) 2.052 14.397 ( 0.000 0.000 6.476) 6.476 14.614 ( 0.000 0.000 -4.433) 4.433 21.404 ( 0.000 0.000 4.402) 4.402 21.587 ( 0.000 0.000 -4.714) 4.714 22.681 ( 0.000 0.000 3.143) 3.143 22.818 ( 0.000 0.000 -3.616) 3.616 25.108 ( 0.000 0.000 2.625) 2.625 25.244 ( 0.000 0.000 -4.370) 4.370 26.921 ( 0.000 0.000 7.346) 7.346 27.170 ( 0.000 0.000 -5.206) 5.206======================= Grid point 376 (110/180) =======================q-point: ( 0.09 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.557 ( 6.450 -2.309 21.754) 22.807 1.681 ( 6.352 -8.132 23.694) 25.844 2.248 ( 10.903 -2.560 6.720) 13.061 2.311 ( 7.078 -3.243 -7.579) 10.866 2.883 ( 4.324 -0.919 -13.265) 13.982 3.138 ( 0.979 -3.841 -10.013) 10.769 3.555 ( 22.223 -1.811 1.934) 22.381 3.834 ( 20.333 -3.511 -12.043) 23.891 4.800 ( -7.812 3.664 12.416) 15.120 5.050 ( 11.389 -0.221 7.063) 13.403 5.276 ( -2.205 2.682 -10.604) 11.158 5.427 ( 17.894 -1.844 -13.138) 22.275 5.940 ( -1.242 2.500 23.080) 23.248 6.636 ( -0.928 1.878 21.240) 21.343 6.769 ( -1.578 0.951 -18.783) 18.874 7.298 ( -3.088 1.098 -11.356) 11.820 9.430 ( -14.821 8.729 2.310) 17.355 9.521 ( -11.397 1.568 -2.612) 11.797 10.114 ( -3.111 -1.210 11.724) 12.190 10.442 ( 4.322 6.459 2.531) 8.174 10.560 ( -2.603 -0.273 -5.742) 6.311 10.659 ( 4.671 4.353 -5.949) 8.727 10.866 ( 1.375 -3.260 3.821) 5.207 11.062 ( 3.787 -2.706 -5.844) 7.471 11.696 ( -0.741 1.204 1.203) 1.857 11.781 ( 0.079 -1.985 -3.395) 3.934 14.386 ( -4.373 -3.843 4.838) 7.570 14.498 ( -11.427 -0.014 0.169) 11.428 21.503 ( 11.044 -0.206 5.797) 12.475 21.801 ( 22.236 1.709 -10.461) 24.633 22.707 ( 1.110 -3.127 3.226) 4.627 22.866 ( 1.424 -6.744 -4.912) 8.464 25.134 ( 1.375 -2.800 2.661) 4.100 25.278 ( 0.265 -5.288 -4.848) 7.179 26.877 ( -2.904 3.422 7.171) 8.460 27.097 ( -5.973 2.986 -3.475) 7.528======================= Grid point 377 (111/180) =======================q-point: ( 0.18 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.754 ( 11.118 -6.981 16.719) 21.257 1.944 ( 9.299 -13.259 16.626) 23.209 2.362 ( 6.916 -0.395 -9.311) 11.606 2.627 ( 15.573 -5.954 -6.713) 17.973 3.029 ( 12.377 -1.671 -1.825) 12.622 3.253 ( 7.499 -3.757 -5.476) 10.017 4.025 ( 28.513 -4.290 3.323) 29.025 4.219 ( 16.816 -2.061 -5.248) 17.736 4.617 ( -8.282 3.004 11.996) 14.884 5.109 ( -4.697 0.202 -7.107) 8.521 5.388 ( 19.072 2.483 3.195) 19.496 5.735 ( 11.575 3.363 -6.296) 13.599 5.928 ( 10.705 1.530 10.272) 14.915 6.582 ( -2.432 2.947 16.049) 16.497 6.701 ( -2.681 5.017 -17.233) 18.148 7.208 ( -5.603 1.719 -12.089) 13.434 9.049 ( -15.966 9.588 6.626) 19.767 9.309 ( -12.681 -1.081 -6.714) 14.390 10.062 ( -5.104 -1.562 10.829) 12.073 10.391 ( -1.633 6.253 -4.006) 7.604 10.516 ( -1.095 2.551 1.706) 3.259 10.658 ( 1.364 4.853 -3.630) 6.212 10.926 ( 2.948 -1.292 5.581) 6.443 11.190 ( 6.754 -2.356 -7.182) 10.136 11.671 ( -0.872 0.526 2.208) 2.432 11.811 ( 0.664 -2.240 -5.686) 6.148 14.253 ( -12.473 -0.448 8.249) 14.960 14.399 ( -5.712 -7.067 -0.763) 9.118 21.729 ( 15.340 1.171 7.627) 17.171 22.115 ( 18.184 6.414 -12.278) 22.859 22.787 ( 3.208 -4.510 3.381) 6.486 23.015 ( 5.281 -9.112 -9.079) 13.905 25.220 ( 3.345 -5.558 2.031) 6.798 25.362 ( 0.406 -8.472 -5.527) 10.124 26.760 ( -4.683 5.577 7.082) 10.158 26.941 ( -7.489 3.543 -1.249) 8.379======================= Grid point 378 (112/180) =======================q-point: ( 0.27 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.066 ( 14.289 -10.362 11.720) 21.187 2.244 ( 8.552 -13.212 9.867) 18.576 2.521 ( 9.874 -3.072 -4.208) 11.164 2.854 ( 5.627 -3.976 -15.658) 17.107 3.304 ( 15.500 -0.487 2.625) 15.728 3.472 ( 15.706 -1.964 -2.803) 16.074 4.226 ( -9.517 6.261 11.266) 16.022 4.506 ( -0.987 0.881 -5.094) 5.263 4.566 ( 20.636 -7.795 11.586) 24.917 5.137 ( 7.696 -2.621 -10.627) 13.380 5.504 ( 2.127 9.179 15.266) 17.940 5.902 ( 17.306 0.262 -2.511) 17.490 6.223 ( 18.398 1.241 -6.896) 19.687 6.478 ( -4.073 5.291 1.599) 6.865 6.603 ( 0.377 6.742 -3.644) 7.673 7.084 ( -7.057 1.326 -12.021) 14.002 8.737 ( -11.505 4.966 11.089) 16.733 9.145 ( -10.351 -4.164 -9.821) 14.863 9.988 ( -4.896 -0.506 8.505) 9.826 10.267 ( -4.715 5.688 -5.296) 9.091 10.469 ( -0.893 3.003 2.468) 3.989 10.607 ( -0.844 4.077 -4.279) 5.970 10.988 ( 3.801 0.700 8.372) 9.221 11.300 ( 4.692 0.355 -6.953) 8.395 11.663 ( -0.356 -1.023 3.435) 3.602 11.855 ( 1.334 -2.704 -7.276) 7.876 14.075 ( -9.691 -1.218 12.381) 15.770 14.395 ( -4.437 -6.932 -5.230) 9.751 21.947 ( 12.913 2.856 7.158) 15.038 22.257 ( 7.981 5.340 -8.051) 12.531 22.903 ( 4.190 -4.761 4.162) 7.586 23.198 ( 6.517 -4.355 -11.154) 13.633 25.354 ( 4.427 -5.995 0.771) 7.492 25.471 ( 0.618 -9.196 -5.799) 10.889 26.619 ( -4.376 5.285 7.136) 9.900 26.790 ( -6.157 2.976 -0.703) 6.875======================= Grid point 379 (113/180) =======================q-point: ( 0.36 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.432 ( 14.136 -11.379 8.017) 19.839 2.517 ( 8.821 -10.349 6.855) 15.229 2.732 ( 9.772 -3.611 -0.221) 10.420 2.943 ( 1.898 -2.349 -12.760) 13.112 3.473 ( 5.114 2.011 4.533) 7.124 3.754 ( 12.032 0.174 -4.479) 12.840 3.975 ( -8.686 5.274 8.812) 13.451 4.317 ( -11.066 2.165 -4.530) 12.152 5.040 ( 20.907 -5.082 6.228) 22.399 5.192 ( -1.700 3.921 11.178) 11.967 5.558 ( 9.884 -2.349 -1.273) 10.239 6.038 ( -0.372 6.089 -15.095) 16.281 6.437 ( 11.816 2.956 -2.058) 12.352 6.467 ( 8.878 2.268 4.244) 10.098 6.579 ( 4.043 4.313 -0.155) 5.914 6.952 ( -7.898 0.115 -9.888) 12.655 8.557 ( -6.440 0.937 14.115) 15.543 9.057 ( -6.654 -5.075 -11.411) 14.151 9.919 ( -3.584 -0.073 6.018) 7.005 10.124 ( -4.339 5.946 -3.964) 8.361 10.423 ( -1.215 1.896 1.269) 2.585 10.558 ( -0.357 2.509 -5.644) 6.187 11.028 ( 2.383 1.390 9.301) 9.702 11.342 ( 2.085 1.567 -6.530) 7.032 11.677 ( 0.082 -1.654 4.682) 4.966 11.909 ( 1.276 -2.520 -7.967) 8.453 13.960 ( -5.850 -1.164 14.727) 15.889 14.402 ( -2.735 -4.767 -8.534) 10.151 22.086 ( 7.798 2.859 5.171) 9.784 22.295 ( 2.767 2.792 -5.184) 6.506 23.017 ( 3.480 -3.737 4.940) 7.105 23.313 ( 4.147 -0.600 -9.558) 10.436 25.478 ( 3.210 -4.122 0.040) 5.225 25.577 ( 0.939 -6.997 -5.979) 9.251 26.511 ( -2.684 3.422 6.979) 8.223 26.678 ( -3.894 1.928 -0.750) 4.410======================= Grid point 380 (114/180) =======================q-point: ( 0.45 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.704 ( 4.406 -8.645 5.244) 11.030 2.762 ( 7.035 -0.803 7.186) 10.088 2.892 ( 6.584 -3.795 -1.047) 7.671 3.004 ( 2.682 -1.544 -8.610) 9.149 3.387 ( -7.342 5.431 11.508) 14.691 3.787 ( -0.174 0.547 8.492) 8.512 3.888 ( -3.065 1.648 -9.967) 10.557 4.229 ( 1.565 0.424 -10.492) 10.616 5.066 ( -1.444 4.322 17.494) 18.078 5.421 ( 12.194 -7.692 0.937) 14.447 5.644 ( -3.075 3.308 -1.832) 4.874 5.958 ( 0.331 1.561 -14.158) 14.248 6.513 ( 2.526 2.014 0.804) 3.329 6.628 ( 4.637 1.756 -5.084) 7.101 6.632 ( 9.510 0.324 3.823) 10.254 6.811 ( -9.184 -0.341 -4.227) 10.116 8.489 ( -1.858 -0.280 15.377) 15.491 9.028 ( -2.237 -2.380 -11.965) 12.403 9.880 ( -1.406 -0.510 3.832) 4.114 10.013 ( -1.819 3.396 -2.484) 4.584 10.392 ( -0.582 0.617 0.906) 1.241 10.539 ( 0.086 0.771 -6.725) 6.770 11.041 ( 0.736 0.642 9.293) 9.344 11.348 ( 0.513 0.777 -6.334) 6.402 11.694 ( 0.106 -0.773 5.428) 5.484 11.944 ( 0.476 -1.010 -8.150) 8.227 13.905 ( -1.947 -0.459 15.855) 15.980 14.408 ( -0.907 -1.677 -10.225) 10.402 22.148 ( 2.557 1.172 3.693) 4.643 22.301 ( 0.597 0.818 -3.968) 4.095 23.089 ( 1.346 -1.435 5.118) 5.483 23.358 ( 1.331 0.210 -7.857) 7.972 25.545 ( 1.031 -1.469 -0.111) 1.798 25.644 ( 0.519 -2.510 -6.187) 6.697 26.456 ( -0.859 1.154 6.863) 7.012 26.620 ( -1.300 0.630 -0.768) 1.636======================= Grid point 387 (115/180) =======================q-point: ( 0.09 0.09 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.704 ( 11.638 -0.000 17.578) 21.081 1.752 ( 9.625 -0.000 22.107) 24.112 2.362 ( 4.883 -0.000 -11.342) 12.348 2.553 ( 19.215 -0.000 -3.923) 19.611 3.013 ( 13.611 -0.000 -3.248) 13.994 3.208 ( 9.182 -0.000 -4.150) 10.077 3.979 ( 27.706 -0.000 1.923) 27.772 4.189 ( 21.728 -0.000 -8.795) 23.441 4.656 ( -11.437 0.000 12.186) 16.712 5.114 ( -5.980 0.000 -5.510) 8.131 5.418 ( 21.252 -0.000 -0.825) 21.268 5.769 ( 16.783 -0.000 -13.092) 21.285 5.954 ( 4.991 -0.000 17.973) 18.653 6.616 ( -2.739 0.000 16.124) 16.355 6.747 ( -1.505 0.000 -15.739) 15.811 7.228 ( -5.970 0.000 -11.289) 12.770 9.198 ( -18.835 0.000 0.551) 18.843 9.266 ( -16.763 0.000 -3.187) 17.063 10.041 ( -4.025 0.000 13.502) 14.090 10.471 ( -5.583 0.000 -7.130) 9.056 10.541 ( 0.432 -0.000 3.708) 3.733 10.709 ( -1.869 0.000 -5.076) 5.409 10.919 ( 6.530 -0.000 5.731) 8.688 11.159 ( 9.022 -0.000 -6.643) 11.204 11.708 ( 0.842 -0.000 0.813) 1.170 11.768 ( 0.271 -0.000 -2.067) 2.084 14.269 ( -13.765 0.000 4.797) 14.577 14.279 ( -5.630 0.000 2.572) 6.190 21.745 ( 16.810 -0.000 8.585) 18.875 22.203 ( 17.837 -0.000 -14.772) 23.160 22.780 ( 11.419 -0.000 -3.467) 11.934 22.847 ( 1.842 -0.000 -3.772) 4.198 25.158 ( 3.585 -0.000 1.719) 3.976 25.260 ( 1.205 -0.000 -3.515) 3.716 26.828 ( -5.144 0.000 6.278) 8.117 26.980 ( -9.151 0.000 -0.198) 9.153======================= Grid point 388 (116/180) =======================q-point: ( 0.18 0.09 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.924 ( 14.867 -1.711 14.972) 21.169 1.999 ( 12.409 -7.909 14.878) 20.926 2.472 ( 8.039 -1.224 -7.275) 10.911 2.792 ( 8.658 -1.431 -17.762) 19.812 3.329 ( 20.726 2.129 4.017) 21.219 3.415 ( 15.324 -2.773 0.881) 15.598 4.349 ( -3.699 4.009 13.605) 14.658 4.437 ( 14.777 -3.007 5.188) 15.947 4.504 ( 2.686 -1.098 -3.296) 4.391 5.072 ( 4.304 -1.955 -13.098) 13.925 5.723 ( 4.738 8.917 9.751) 14.037 5.867 ( 14.076 -3.768 1.223) 14.623 6.233 ( 19.733 0.052 -6.335) 20.725 6.549 ( -4.011 1.506 8.848) 9.831 6.721 ( 0.182 2.715 -11.518) 11.835 7.106 ( -8.014 0.582 -11.152) 13.745 8.850 ( -17.151 4.982 3.636) 18.227 9.030 ( -15.274 -5.059 -5.482) 16.998 9.985 ( -2.790 0.023 12.113) 12.430 10.362 ( -5.562 2.266 -5.905) 8.422 10.512 ( -2.480 0.901 2.636) 3.730 10.646 ( -4.574 0.218 -4.379) 6.336 11.026 ( 6.594 1.452 7.773) 10.296 11.308 ( 7.679 0.112 -6.426) 10.014 11.704 ( 1.830 4.061 1.552) 4.717 11.805 ( 1.784 -2.661 -3.831) 4.994 14.064 ( -9.686 0.712 8.215) 12.721 14.229 ( -4.953 -6.263 -1.419) 8.110 22.006 ( 14.506 1.898 8.738) 17.041 22.331 ( 1.849 1.125 -5.482) 5.894 22.875 ( 5.470 1.727 -1.266) 5.874 23.091 ( 15.408 -4.407 -15.164) 22.063 25.257 ( 6.556 -2.404 0.028) 6.983 25.314 ( 2.396 -4.075 -2.885) 5.538 26.715 ( -6.123 2.778 5.912) 8.954 26.827 ( -8.371 0.481 1.495) 8.517======================= Grid point 389 (117/180) =======================q-point: ( 0.27 0.09 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.225 ( 14.631 -6.540 11.153) 19.525 2.306 ( 14.208 -7.830 9.165) 18.633 2.656 ( 11.019 -2.774 -3.070) 11.770 2.907 ( 4.370 -0.946 -15.848) 16.466 3.538 ( 10.236 3.623 6.073) 12.442 3.739 ( 13.751 -1.546 -0.488) 13.846 4.110 ( -10.185 6.291 8.666) 14.779 4.340 ( -12.075 -0.664 -0.938) 12.129 4.884 ( 20.573 -5.322 5.427) 21.932 5.251 ( 7.525 -2.258 -7.999) 11.212 5.589 ( -2.637 5.946 12.572) 14.155 6.117 ( 4.869 0.944 -11.585) 12.602 6.485 ( 10.371 1.642 -0.948) 10.543 6.514 ( 6.266 1.626 5.158) 8.277 6.701 ( 3.056 5.219 -7.391) 9.550 6.960 ( -8.698 0.409 -9.590) 12.953 8.567 ( -12.225 1.060 7.990) 14.643 8.881 ( -11.606 -8.694 -8.130) 16.625 9.945 ( -1.056 1.630 9.996) 10.183 10.246 ( -4.190 3.867 -4.258) 7.116 10.455 ( -2.904 0.929 1.126) 3.250 10.572 ( -4.269 -0.607 -4.983) 6.590 11.093 ( 4.244 3.044 9.174) 10.557 11.392 ( 3.947 2.087 -6.079) 7.542 11.698 ( 2.882 3.704 3.062) 5.604 11.871 ( 3.242 -1.430 -6.231) 7.168 13.935 ( -5.558 -0.306 11.038) 12.362 14.247 ( -2.869 -8.109 -5.565) 10.245 22.156 ( 6.913 3.276 5.465) 9.402 22.320 ( -1.815 -0.592 -2.364) 3.038 22.968 ( 5.917 -0.813 3.032) 6.698 23.320 ( 9.624 0.949 -14.722) 17.614 25.393 ( 4.834 -3.300 -0.691) 5.893 25.437 ( 6.592 -4.851 -3.841) 9.041 26.584 ( -5.351 2.944 6.140) 8.660 26.701 ( -6.223 0.186 1.054) 6.315======================= Grid point 390 (118/180) =======================q-point: ( 0.36 0.09 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.511 ( 9.561 -7.924 8.110) 14.831 2.651 ( 16.672 -6.732 6.071) 18.977 2.856 ( 8.159 -0.818 -0.935) 8.253 2.979 ( 4.421 -0.690 -11.107) 11.975 3.532 ( -5.934 6.990 10.083) 13.629 3.796 ( -1.651 0.339 10.655) 10.788 3.955 ( -4.610 3.969 -7.716) 9.826 4.242 ( 1.044 0.381 -9.262) 9.329 5.167 ( -2.573 1.121 12.925) 13.226 5.273 ( 9.409 -2.177 1.751) 9.815 5.615 ( 1.079 -4.375 1.404) 4.720 6.033 ( -5.499 4.029 -14.828) 16.320 6.570 ( 1.027 2.696 0.334) 2.904 6.654 ( 10.766 1.499 2.985) 11.272 6.694 ( 1.301 3.879 -5.859) 7.146 6.814 ( -8.187 0.417 -4.513) 9.358 8.429 ( -6.436 -3.720 11.339) 13.558 8.843 ( -6.616 -11.576 -9.995) 16.664 9.914 ( 0.781 3.133 7.709) 8.358 10.142 ( -1.917 5.549 -3.010) 6.597 10.404 ( -2.118 0.390 0.301) 2.175 10.521 ( -3.449 -1.698 -5.737) 6.906 11.102 ( 1.825 3.810 9.211) 10.134 11.402 ( 1.343 3.325 -6.110) 7.084 11.717 ( 3.739 3.092 4.320) 6.496 11.938 ( 3.779 0.223 -7.541) 8.438 13.883 ( -1.767 -0.978 13.352) 13.504 14.303 ( -0.879 -7.186 -8.496) 11.162 22.176 ( -0.649 1.343 3.257) 3.582 22.297 ( -2.194 -1.047 -2.665) 3.607 23.068 ( 4.798 -0.400 5.457) 7.277 23.405 ( 4.232 3.452 -10.889) 12.182 25.496 ( 3.518 -2.645 0.161) 4.405 25.596 ( 7.219 -1.747 -5.645) 9.329 26.484 ( -3.768 1.291 6.335) 7.483 26.620 ( -3.732 -0.595 0.136) 3.782======================= Grid point 391 (119/180) =======================q-point: ( 0.45 0.09 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.698 ( 3.221 -4.897 7.209) 9.291 2.872 ( 2.832 5.906 2.943) 7.181 2.939 ( 1.976 -1.693 -1.888) 3.215 3.054 ( 2.217 2.488 -7.052) 7.800 3.342 ( -1.734 2.467 13.759) 14.086 3.761 ( -1.932 -1.155 3.367) 4.050 3.901 ( 2.056 2.310 -5.271) 6.111 4.231 ( -2.869 0.586 -10.784) 11.175 5.031 ( -5.938 1.432 16.227) 17.338 5.483 ( 3.893 -7.762 -6.132) 10.630 5.558 ( -8.907 1.828 4.238) 10.032 5.952 ( -2.396 0.342 -13.414) 13.630 6.500 ( -5.988 0.994 1.071) 6.164 6.612 ( -8.593 0.377 -3.527) 9.296 6.649 ( -7.207 1.576 3.309) 8.085 6.833 ( 9.759 1.546 -3.982) 10.653 8.417 ( -2.243 -6.070 13.910) 15.341 8.905 ( -2.127 -11.708 -11.049) 16.238 9.915 ( 3.666 2.955 4.828) 6.744 10.067 ( 0.907 5.779 -2.064) 6.203 10.381 ( -0.525 -0.232 0.017) 0.574 10.489 ( -3.705 -2.986 -5.584) 7.336 11.080 ( 0.533 3.370 8.718) 9.362 11.378 ( 0.308 3.059 -6.326) 7.034 11.743 ( 3.608 3.607 4.940) 7.101 11.983 ( 3.261 2.390 -8.079) 9.034 13.895 ( 1.771 -1.112 14.802) 14.949 14.371 ( 0.836 -4.812 -9.811) 10.959 22.126 ( -4.796 -0.775 3.077) 5.751 22.264 ( -3.941 -2.184 -3.874) 5.942 23.124 ( 2.607 1.586 5.663) 6.433 23.402 ( 0.702 3.808 -7.840) 8.744 25.561 ( 2.397 0.134 0.939) 2.578 25.700 ( 5.568 2.344 -6.699) 9.020 26.433 ( -2.053 -0.917 6.655) 7.025 26.593 ( -1.179 -1.779 -0.832) 2.291======================= Grid point 392 (120/180) =======================q-point: (-0.45 0.09 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.659 ( -9.050 6.045 7.833) 13.409 2.753 ( -5.595 11.187 3.486) 12.985 2.809 ( -7.022 3.947 1.304) 8.160 3.016 ( -0.165 4.300 -9.859) 10.758 3.441 ( 4.171 -1.257 4.828) 6.503 3.739 ( -8.392 -0.888 -6.357) 10.565 3.899 ( 2.513 -1.087 7.057) 7.570 4.263 ( 8.947 -2.625 -5.567) 10.859 4.946 ( -9.457 -5.811 14.033) 17.892 5.319 ( -9.933 8.290 5.603) 14.099 5.550 ( -8.156 -5.248 -6.018) 11.414 5.912 ( -2.305 -3.126 -13.957) 14.488 6.364 ( -13.323 -2.876 -1.036) 13.669 6.417 ( -13.257 -2.036 -1.694) 13.519 6.544 ( -3.347 0.742 8.656) 9.311 6.960 ( 7.034 0.924 -9.284) 11.684 8.477 ( 0.869 -6.702 15.810) 17.194 9.016 ( 1.092 -9.182 -11.576) 14.816 9.963 ( 5.422 3.009 2.766) 6.790 10.065 ( 4.773 1.937 -1.757) 5.442 10.386 ( 0.062 -0.799 -0.127) 0.811 10.467 ( -3.886 -4.873 -4.000) 7.406 11.050 ( 0.077 2.795 8.117) 8.585 11.349 ( -0.199 2.234 -6.636) 7.004 11.750 ( 2.768 4.600 4.789) 7.194 11.988 ( 1.935 4.536 -8.265) 9.624 13.964 ( 5.119 -0.932 15.134) 16.003 14.435 ( 2.386 -1.876 -9.474) 9.949 22.034 ( -7.998 -1.707 3.894) 9.057 22.213 ( -6.526 -4.078 -5.087) 9.225 23.117 ( 0.587 4.516 5.144) 6.870 23.354 ( -1.573 3.175 -6.498) 7.401 25.567 ( 0.786 3.698 1.513) 4.072 25.728 ( 3.748 6.381 -7.180) 10.311 26.437 ( -0.141 -3.149 6.950) 7.631 26.620 ( 1.165 -3.138 -1.714) 3.761======================= Grid point 393 (121/180) =======================q-point: (-0.36 0.09 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.343 ( -12.463 13.467 8.053) 20.038 2.537 ( -5.954 10.841 1.385) 12.446 2.607 ( -11.104 5.733 3.315) 12.929 2.952 ( -2.825 4.537 -12.686) 13.766 3.369 ( -10.427 5.507 -0.266) 11.795 3.507 ( -11.165 1.527 -4.708) 12.213 4.089 ( 10.351 -5.829 12.706) 17.394 4.476 ( 7.984 -1.644 -6.102) 10.182 4.711 ( -21.824 2.184 12.722) 25.355 5.141 ( -5.777 0.022 2.384) 6.249 5.399 ( -7.939 -0.713 4.416) 9.112 5.859 ( -15.340 -3.643 -6.847) 17.189 6.154 ( -15.809 -5.337 -6.253) 17.819 6.308 ( -2.518 -7.535 -8.475) 11.616 6.512 ( -1.147 -1.188 11.267) 11.387 7.056 ( 5.048 -0.923 -12.609) 13.613 8.602 ( 4.533 -8.035 15.796) 18.293 9.141 ( 3.804 -6.156 -11.590) 13.663 10.024 ( 6.106 2.728 3.940) 7.762 10.165 ( 5.601 -2.063 -3.507) 6.923 10.393 ( -1.395 -3.100 1.130) 3.582 10.480 ( -2.065 -6.034 -2.100) 6.714 11.019 ( -0.038 2.952 7.053) 7.646 11.316 ( -1.136 2.136 -7.098) 7.499 11.735 ( 1.935 4.927 3.826) 6.531 11.949 ( 0.484 5.770 -8.206) 10.044 14.084 ( 8.147 -0.843 14.216) 16.406 14.490 ( 3.704 1.098 -7.560) 8.490 21.895 ( -11.125 -1.661 5.187) 12.387 22.130 ( -10.183 -5.378 -6.601) 13.274 23.049 ( -0.520 7.315 4.810) 8.770 23.282 ( -2.818 3.409 -6.759) 8.078 25.505 ( -0.884 7.122 2.129) 7.485 25.688 ( 2.324 9.715 -7.618) 12.563 26.498 ( 1.775 -5.355 7.254) 9.189 26.701 ( 3.267 -4.738 -2.366) 6.223======================= Grid point 394 (122/180) =======================q-point: (-0.27 0.09 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.990 ( -11.767 12.995 10.840) 20.612 2.265 ( -10.260 14.395 10.585) 20.604 2.391 ( -7.949 2.191 -6.566) 10.541 2.782 ( -10.132 7.267 -11.118) 16.706 3.107 ( -9.105 5.907 2.067) 11.049 3.369 ( -1.741 6.700 -7.003) 9.847 4.147 ( -23.810 4.523 4.474) 24.645 4.258 ( -8.192 2.226 4.130) 9.441 4.565 ( 0.128 -0.929 9.370) 9.417 5.105 ( 1.980 -0.848 -7.292) 7.603 5.320 ( -11.039 -3.010 7.821) 13.860 5.631 ( -10.888 -5.166 0.813) 12.079 5.897 ( -16.664 -1.745 -1.534) 16.825 6.473 ( 4.744 -9.987 -9.379) 14.498 6.534 ( 0.101 -5.538 7.650) 9.445 7.156 ( 4.279 -2.825 -13.576) 14.512 8.815 ( 8.405 -11.495 13.413) 19.562 9.282 ( 5.976 -4.769 -10.350) 12.867 10.101 ( 5.630 1.768 6.087) 8.478 10.250 ( -0.392 -4.784 -1.581) 5.054 10.436 ( 1.960 -4.111 0.617) 4.596 10.515 ( -2.676 -6.637 -1.340) 7.280 10.984 ( 0.306 3.597 4.981) 6.152 11.256 ( -2.418 3.603 -7.576) 8.731 11.712 ( 1.555 3.955 2.378) 4.870 11.888 ( -0.135 5.249 -7.789) 9.393 14.250 ( 10.231 -1.333 11.675) 15.581 14.531 ( 4.301 3.699 -4.296) 7.116 21.707 ( -12.637 -0.607 5.933) 13.974 21.983 ( -14.610 -4.760 -7.981) 17.315 22.948 ( -0.531 8.754 4.578) 9.893 23.183 ( -2.958 5.780 -7.412) 9.854 25.389 ( -1.671 9.129 2.871) 9.714 25.596 ( 1.246 11.701 -8.085) 14.277 26.610 ( 2.968 -7.290 7.595) 10.938 26.829 ( 4.580 -6.249 -2.877) 8.265======================= Grid point 395 (123/180) =======================q-point: (-0.18 0.09 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.690 ( -8.818 8.595 16.286) 20.417 1.938 ( -8.622 13.824 17.637) 24.010 2.282 ( -3.400 0.774 -11.523) 12.039 2.507 ( -7.837 12.565 0.905) 14.836 2.947 ( -3.294 5.726 -4.624) 8.063 3.291 ( 3.009 9.366 -9.937) 13.982 3.648 ( -21.892 6.626 5.619) 23.553 3.964 ( -17.741 7.315 -9.900) 21.593 4.674 ( 4.817 -6.480 15.686) 17.642 5.056 ( -10.677 0.143 6.868) 12.696 5.225 ( 1.736 -1.311 -9.188) 9.442 5.455 ( -14.198 0.043 -15.351) 20.910 5.835 ( 0.921 -6.675 21.566) 22.594 6.563 ( 0.377 -4.174 20.695) 21.115 6.676 ( 2.599 -8.504 -20.249) 22.115 7.249 ( 2.636 -3.189 -13.080) 13.719 9.132 ( 10.114 -16.372 9.250) 21.352 9.442 ( 5.974 -5.487 -6.822) 10.599 10.136 ( -1.002 -0.302 8.550) 8.614 10.298 ( 1.279 -4.371 2.938) 5.420 10.499 ( -2.530 -4.937 -1.774) 5.824 10.548 ( 0.143 -4.802 -3.915) 6.198 10.950 ( 0.488 3.992 2.761) 4.878 11.161 ( -2.293 5.605 -7.157) 9.375 11.702 ( 1.202 2.060 1.107) 2.629 11.837 ( -0.032 3.546 -6.895) 7.754 14.435 ( 8.687 -1.793 6.860) 11.214 14.548 ( 3.619 4.765 -0.447) 6.000 21.514 ( -9.545 0.760 5.401) 10.994 21.762 ( -14.668 -1.051 -7.275) 16.406 22.845 ( -0.142 8.532 4.172) 9.498 23.060 ( -1.813 8.662 -7.077) 11.331 25.263 ( -1.169 8.605 3.446) 9.343 25.478 ( 0.432 11.698 -7.930) 14.139 26.744 ( 2.375 -7.885 7.750) 11.309 26.979 ( 3.988 -7.150 -3.751) 9.005======================= Grid point 396 (124/180) =======================q-point: (-0.09 0.09 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.542 ( 0.000 4.791 21.512) 22.039 1.719 ( 0.000 11.104 22.770) 25.333 2.259 ( -0.000 -0.762 -14.286) 14.307 2.275 ( 0.000 14.806 13.004) 19.706 2.868 ( 0.000 2.985 -12.038) 12.403 3.228 ( 0.000 8.924 -12.121) 15.052 3.386 ( 0.000 4.364 4.453) 6.235 3.696 ( 0.000 6.755 -12.364) 14.089 4.805 ( -0.000 -7.748 13.801) 15.827 4.951 ( 0.000 0.517 6.207) 6.228 5.224 ( 0.000 0.464 -7.057) 7.072 5.340 ( 0.000 0.206 -13.648) 13.650 5.915 ( -0.000 -4.595 22.812) 23.270 6.611 ( -0.000 -3.627 22.529) 22.819 6.762 ( -0.000 -3.497 -20.130) 20.432 7.304 ( -0.000 -2.357 -12.011) 12.240 9.430 ( -0.000 -16.150 4.764) 16.838 9.569 ( -0.000 -5.960 -2.700) 6.543 10.123 ( -0.000 -1.611 9.378) 9.516 10.357 ( -0.000 -2.377 6.722) 7.130 10.520 ( -0.000 -6.929 -6.886) 9.769 10.592 ( -0.000 -1.654 -5.742) 5.975 10.906 ( 0.000 4.536 2.310) 5.090 11.079 ( 0.000 5.029 -5.793) 7.671 11.700 ( 0.000 0.337 0.700) 0.777 11.805 ( 0.000 2.382 -5.367) 5.872 14.481 ( 0.000 5.454 4.253) 6.916 14.585 ( -0.000 -2.096 -0.319) 2.120 21.415 ( 0.000 1.018 4.612) 4.723 21.607 ( 0.000 1.726 -4.910) 5.205 22.758 ( 0.000 6.677 3.745) 7.656 22.943 ( 0.000 9.149 -5.926) 10.900 25.171 ( 0.000 5.934 3.356) 6.817 25.361 ( 0.000 9.519 -6.687) 11.633 26.846 ( -0.000 -6.381 7.674) 9.980 27.094 ( -0.000 -6.291 -4.722) 7.866======================= Grid point 399 (125/180) =======================q-point: ( 0.18 0.18 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.155 ( 13.115 -0.000 13.210) 18.615 2.209 ( 17.966 -0.000 9.849) 20.488 2.624 ( 11.325 -0.000 -4.128) 12.054 2.897 ( 5.328 -0.000 -17.261) 18.064 3.598 ( 11.491 -0.000 6.340) 13.124 3.705 ( 14.993 -0.000 1.845) 15.106 4.211 ( -8.836 0.000 10.249) 13.533 4.303 ( -13.288 0.000 0.391) 13.294 4.830 ( 20.085 -0.000 3.039) 20.313 5.201 ( 9.793 -0.000 -10.837) 14.606 5.684 ( -8.704 0.000 12.044) 14.860 6.115 ( 8.761 -0.000 -9.581) 12.982 6.506 ( 12.211 -0.000 -2.763) 12.520 6.532 ( 3.732 -0.000 6.935) 7.876 6.765 ( 2.778 -0.000 -9.075) 9.491 6.965 ( -9.133 0.000 -9.177) 12.947 8.602 ( -15.638 0.000 3.013) 15.926 8.754 ( -12.953 0.000 -4.563) 13.733 9.967 ( 0.194 -0.000 11.276) 11.277 10.285 ( -4.850 0.000 -3.553) 6.012 10.465 ( -3.369 0.000 0.726) 3.447 10.562 ( -4.898 0.000 -4.457) 6.622 11.127 ( 4.219 -0.000 8.898) 9.847 11.416 ( 4.712 -0.000 -5.809) 7.480 11.803 ( 4.928 -0.000 -1.346) 5.108 11.812 ( 2.722 -0.000 -1.291) 3.013 13.950 ( -5.018 0.000 7.054) 8.657 14.124 ( -2.877 0.000 -2.482) 3.800 22.206 ( 7.385 -0.000 5.106) 8.978 22.298 ( -4.284 0.000 0.013) 4.284 22.963 ( 5.562 -0.000 1.682) 5.811 23.335 ( 12.861 -0.000 -17.747) 21.917 25.349 ( 4.456 -0.000 -0.598) 4.496 25.384 ( 9.949 -0.000 -2.761) 10.325 26.624 ( -6.620 0.000 5.104) 8.360 26.697 ( -7.010 0.000 2.519) 7.449======================= Grid point 400 (126/180) =======================q-point: ( 0.27 0.18 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.381 ( 11.545 -3.211 9.802) 15.482 2.533 ( 18.516 -3.043 6.292) 19.791 2.836 ( 12.832 -0.662 -2.080) 13.016 2.971 ( 3.692 -0.125 -12.741) 13.266 3.678 ( -5.200 5.541 10.076) 12.620 3.781 ( 1.663 -2.050 10.319) 10.651 4.049 ( -10.132 3.586 -4.029) 11.478 4.230 ( 4.250 -1.309 -7.327) 8.571 5.112 ( 11.684 -1.877 6.066) 13.298 5.304 ( -0.185 0.455 -3.458) 3.493 5.537 ( -6.207 -1.423 10.531) 12.307 6.096 ( -6.479 1.404 -15.002) 16.402 6.616 ( 1.658 1.191 0.689) 2.154 6.684 ( 11.978 0.858 1.871) 12.154 6.776 ( -1.415 2.759 -6.396) 7.108 6.818 ( -7.761 -0.266 -4.277) 8.865 8.377 ( -10.547 -0.565 5.914) 12.105 8.616 ( -8.387 -6.892 -6.487) 12.646 9.979 ( 2.224 1.905 9.780) 10.209 10.211 ( -3.272 0.959 -1.397) 3.685 10.408 ( -3.181 0.012 -0.720) 3.261 10.496 ( -3.226 -0.349 -4.959) 5.926 11.165 ( 1.473 1.426 9.330) 9.552 11.460 ( 1.686 1.393 -5.787) 6.187 11.825 ( 5.277 5.650 1.139) 7.815 11.927 ( 5.717 -2.038 -4.300) 7.438 13.889 ( -1.181 1.524 7.921) 8.153 14.134 ( -0.757 -6.293 -4.843) 7.977 22.205 ( -4.469 1.073 1.923) 4.982 22.267 ( -1.647 -1.223 -0.688) 2.164 23.066 ( 6.318 0.050 5.925) 8.662 23.476 ( 5.722 2.087 -14.225) 15.474 25.446 ( 5.904 -1.380 1.214) 6.183 25.569 ( 11.082 -0.669 -5.375) 12.335 26.510 ( -6.013 0.867 5.350) 8.095 26.602 ( -5.028 -0.756 1.449) 5.287======================= Grid point 401 (127/180) =======================q-point: ( 0.36 0.18 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.585 ( 7.109 -4.388 8.126) 11.654 2.854 ( 12.464 -3.996 0.472) 13.098 2.974 ( 4.938 3.217 -1.885) 6.187 3.073 ( 7.924 -0.684 -5.195) 9.500 3.458 ( -8.756 5.909 11.920) 15.927 3.761 ( -4.360 0.986 4.933) 6.657 3.959 ( 2.871 2.430 -3.126) 4.890 4.245 ( -4.208 0.451 -10.247) 11.087 5.118 ( -7.744 5.869 9.966) 13.919 5.313 ( 0.912 -6.181 -1.913) 6.534 5.517 ( -4.986 -5.484 4.303) 8.570 5.971 ( -5.167 1.207 -14.681) 15.610 6.542 ( -7.982 2.194 0.964) 8.334 6.642 ( -9.522 2.047 0.137) 9.740 6.686 ( -7.820 1.322 0.381) 7.940 6.869 ( 10.157 1.413 -4.120) 11.052 8.277 ( -5.726 -5.207 9.389) 12.168 8.623 ( -3.561 -11.389 -8.602) 14.710 9.997 ( 3.993 3.601 7.605) 9.314 10.156 ( -1.687 1.618 -0.591) 2.411 10.371 ( -1.930 -1.205 -1.148) 2.548 10.455 ( -1.868 0.564 -4.962) 5.332 11.152 ( 0.006 2.539 8.899) 9.255 11.451 ( 0.383 2.759 -6.288) 6.877 11.854 ( 5.952 6.109 3.054) 9.059 12.032 ( 6.203 1.242 -6.419) 9.012 13.881 ( 1.706 0.532 10.177) 10.332 14.218 ( 0.863 -7.971 -7.159) 10.749 22.114 ( -5.838 -0.251 1.998) 6.175 22.218 ( -5.796 -1.740 -3.104) 6.801 23.154 ( 4.752 1.018 6.874) 8.419 23.496 ( 1.100 3.770 -9.960) 10.706 25.558 ( 6.049 -0.218 2.574) 6.577 25.743 ( 9.902 1.404 -6.987) 12.200 26.417 ( -4.614 -0.438 5.942) 7.535 26.549 ( -2.938 -1.838 -0.255) 3.475======================= Grid point 402 (128/180) =======================q-point: (-0.55 0.18 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.679 ( -1.080 -2.150 7.545) 7.919 2.876 ( -7.803 1.727 -0.208) 7.995 3.002 ( 0.756 8.983 0.212) 9.017 3.126 ( 1.167 4.987 -7.145) 8.790 3.418 ( 8.939 -0.187 9.742) 13.223 3.724 ( -1.752 -0.405 -2.742) 3.279 3.934 ( -4.055 3.900 1.643) 5.861 4.198 ( 3.398 -3.211 -3.600) 5.900 4.905 ( -11.716 2.337 8.195) 14.487 5.350 ( -8.016 -9.418 -11.216) 16.696 5.445 ( -5.555 1.163 9.020) 10.657 5.892 ( -5.098 -0.001 -11.430) 12.516 6.328 ( -15.594 -0.225 0.105) 15.596 6.399 ( -15.969 0.708 -3.180) 16.298 6.578 ( -3.433 1.599 10.598) 11.254 6.990 ( 6.283 1.563 -8.471) 10.662 8.286 ( -3.337 -9.242 12.934) 16.244 8.731 ( -0.871 -13.853 -10.081) 17.154 10.037 ( 5.281 3.510 4.372) 7.701 10.126 ( 0.640 1.340 0.329) 1.521 10.364 ( -2.932 -3.510 -1.302) 4.756 10.421 ( 0.843 3.245 -3.988) 5.210 11.121 ( 0.123 2.998 8.001) 8.545 11.421 ( 0.391 3.494 -6.913) 7.756 11.877 ( 5.119 6.704 4.130) 9.391 12.096 ( 5.163 4.526 -7.711) 10.325 13.933 ( 4.099 -1.159 12.187) 12.910 14.328 ( 2.040 -7.184 -8.269) 11.142 22.011 ( -7.362 -0.412 2.158) 7.683 22.129 ( -7.992 -3.335 -3.770) 9.445 23.197 ( 2.869 2.608 5.625) 6.832 23.443 ( -1.609 4.268 -6.548) 7.980 25.638 ( 4.973 2.688 3.366) 6.579 25.854 ( 7.517 4.818 -7.557) 11.697 26.373 ( -2.584 -2.534 6.435) 7.383 26.546 ( -0.890 -3.271 -1.929) 3.901======================= Grid point 403 (129/180) =======================q-point: (-0.45 0.18 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.596 ( -7.186 5.608 5.983) 10.903 2.636 ( -14.072 3.977 1.756) 14.729 2.837 ( -6.257 11.188 1.080) 12.865 3.063 ( -1.553 5.786 -9.796) 11.483 3.533 ( -1.624 8.090 -1.602) 8.405 3.551 ( -5.239 2.675 -2.103) 6.247 3.978 ( 8.890 -3.979 12.447) 15.805 4.403 ( 10.925 -6.148 -1.535) 12.629 4.671 ( -16.615 -1.181 7.729) 18.363 5.198 ( -14.056 0.238 -7.818) 16.086 5.375 ( -3.704 -0.635 8.385) 9.188 5.772 ( -12.370 -2.684 -7.918) 14.931 6.037 ( -18.781 -3.500 -2.082) 19.217 6.199 ( -8.919 -2.946 -6.925) 11.669 6.521 ( -1.782 1.345 12.055) 12.260 7.049 ( 2.667 0.312 -12.222) 12.513 8.369 ( -1.028 -12.288 15.624) 19.904 8.888 ( 0.422 -14.579 -10.975) 18.253 10.075 ( 2.805 1.401 2.769) 4.183 10.167 ( 4.500 0.262 -0.677) 4.558 10.333 ( -4.109 -3.059 0.713) 5.172 10.428 ( 3.601 3.108 -3.114) 5.685 11.093 ( 0.764 3.302 6.800) 7.598 11.388 ( 0.546 3.870 -7.439) 8.403 11.870 ( 3.419 7.213 4.207) 9.023 12.099 ( 3.120 7.201 -8.407) 11.500 14.040 ( 6.051 -2.686 13.160) 14.731 14.440 ( 2.907 -5.352 -7.940) 10.007 21.874 ( -9.659 -0.296 3.215) 10.185 22.029 ( -8.851 -3.675 -4.524) 10.598 23.191 ( 1.468 4.949 3.911) 6.477 23.360 ( -2.715 3.736 -4.377) 6.363 25.657 ( 3.105 6.278 3.836) 7.986 25.886 ( 5.052 7.945 -7.524) 12.052 26.388 ( -0.391 -4.470 6.482) 7.884 26.591 ( 0.880 -4.847 -3.247) 5.900======================= Grid point 404 (130/180) =======================q-point: (-0.36 0.18 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.261 ( -17.366 9.693 4.841) 20.469 2.443 ( -9.072 2.438 -2.088) 9.623 2.564 ( -9.482 12.496 5.518) 16.629 2.938 ( -4.704 7.133 -11.895) 14.646 3.300 ( -3.604 10.831 4.380) 12.226 3.546 ( 4.863 8.895 -6.330) 11.952 4.144 ( -0.245 -2.743 9.112) 9.520 4.355 ( -17.211 3.948 7.018) 19.001 4.550 ( -2.242 -2.235 5.007) 5.924 5.049 ( -1.186 -2.910 -2.816) 4.220 5.299 ( -6.127 1.111 3.146) 6.976 5.531 ( -16.115 -3.701 1.443) 16.598 5.822 ( -15.616 -5.396 -4.562) 17.140 6.210 ( 1.598 -9.962 -15.159) 18.209 6.484 ( -1.700 -0.291 14.104) 14.209 7.094 ( 1.825 -2.408 -14.396) 14.710 8.524 ( 1.568 -14.779 16.178) 21.968 9.063 ( 1.418 -14.075 -11.306) 18.109 10.106 ( 0.104 -1.494 4.076) 4.342 10.207 ( -0.104 -1.209 -1.570) 1.985 10.357 ( 3.783 -2.379 1.649) 4.763 10.449 ( 2.234 2.397 -1.998) 3.837 11.069 ( 0.993 3.777 5.318) 6.598 11.349 ( 0.243 4.547 -7.902) 9.120 11.834 ( 1.831 6.887 3.321) 7.862 12.045 ( 1.191 8.502 -8.643) 12.182 14.188 ( 7.047 -4.023 12.805) 15.160 14.539 ( 3.228 -3.037 -6.319) 7.718 21.704 ( -10.575 0.209 4.611) 11.538 21.909 ( -9.583 -2.025 -5.588) 11.276 23.136 ( 0.325 7.490 3.162) 8.137 23.280 ( -2.085 3.320 -3.918) 5.542 25.602 ( 1.142 9.547 4.224) 10.502 25.850 ( 3.041 10.557 -7.932) 13.550 26.455 ( 1.090 -6.353 6.679) 9.282 26.681 ( 2.102 -6.665 -4.080) 8.092======================= Grid point 405 (131/180) =======================q-point: (-0.27 0.18 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.878 ( -15.122 7.386 9.645) 19.397 2.272 ( -4.558 13.131 9.086) 16.606 2.296 ( -7.358 3.295 -7.184) 10.798 2.773 ( -2.597 10.393 -11.327) 15.591 3.167 ( 2.626 13.509 6.754) 15.330 3.528 ( 6.475 11.291 -8.134) 15.349 3.829 ( -20.787 8.682 8.566) 24.101 4.124 ( -12.138 6.503 -6.082) 15.054 4.554 ( 1.873 -3.965 16.387) 16.964 5.046 ( -8.398 -1.224 7.216) 11.140 5.216 ( 1.838 -0.011 -11.281) 11.430 5.405 ( -9.075 -4.848 -9.233) 13.824 5.683 ( -4.805 -5.753 12.749) 14.790 6.401 ( 2.985 -14.288 -18.401) 23.487 6.481 ( -0.870 -3.025 17.852) 18.127 7.163 ( 1.557 -4.345 -14.944) 15.640 8.748 ( 3.316 -17.884 14.534) 23.283 9.242 ( 1.904 -12.844 -10.721) 16.838 10.089 ( -4.078 -2.860 6.839) 8.461 10.256 ( 3.508 -2.510 -0.517) 4.345 10.435 ( -1.036 2.135 0.447) 2.415 10.459 ( 3.585 -2.963 -1.509) 4.890 11.040 ( 0.730 4.053 3.733) 5.558 11.291 ( -0.264 5.821 -8.117) 9.992 11.786 ( 0.875 5.441 1.933) 5.840 11.963 ( 0.236 7.835 -8.434) 11.514 14.351 ( 5.773 -5.285 10.922) 13.437 14.607 ( 2.408 -0.378 -3.856) 4.562 21.536 ( -7.868 1.230 5.299) 9.566 21.763 ( -8.098 0.997 -5.972) 10.111 23.046 ( -0.028 8.742 3.438) 9.394 23.211 ( -1.063 4.833 -4.750) 6.859 25.492 ( -0.043 11.322 4.451) 12.166 25.756 ( 1.306 12.518 -8.807) 15.361 26.559 ( 1.329 -8.158 7.248) 10.993 26.802 ( 2.087 -8.310 -4.536) 9.695======================= Grid point 406 (132/180) =======================q-point: (-0.18 0.18 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.669 ( 0.000 6.058 15.168) 16.333 2.045 ( 0.000 17.193 15.928) 23.437 2.237 ( -0.000 -1.176 -13.139) 13.191 2.623 ( 0.000 13.677 -6.784) 15.267 3.041 ( 0.000 13.591 4.702) 14.382 3.473 ( 0.000 12.107 -9.229) 15.224 3.527 ( 0.000 8.065 7.361) 10.919 3.885 ( 0.000 9.528 -11.197) 14.703 4.638 ( -0.000 -6.444 17.488) 18.638 4.960 ( 0.000 0.173 6.558) 6.560 5.237 ( 0.000 0.609 -7.115) 7.141 5.336 ( -0.000 -0.878 -18.881) 18.901 5.757 ( -0.000 -9.111 21.699) 23.534 6.516 ( -0.000 -4.309 21.035) 21.472 6.582 ( -0.000 -12.561 -20.051) 23.661 7.228 ( -0.000 -4.363 -14.230) 14.883 9.003 ( -0.000 -20.327 11.707) 23.457 9.395 ( -0.000 -10.512 -8.635) 13.604 10.076 ( -0.000 -2.439 8.648) 8.985 10.363 ( -0.000 -6.840 -3.121) 7.518 10.366 ( 0.000 3.543 4.514) 5.738 10.526 ( -0.000 -3.369 -3.763) 5.051 11.001 ( 0.000 4.146 2.690) 4.942 11.216 ( 0.000 6.685 -7.617) 10.135 11.744 ( 0.000 3.607 0.908) 3.720 11.888 ( 0.000 5.713 -7.831) 9.694 14.467 ( -0.000 -5.289 8.002) 9.592 14.617 ( 0.000 2.464 -1.484) 2.876 21.447 ( 0.000 1.731 5.157) 5.439 21.660 ( 0.000 2.876 -5.418) 6.134 22.945 ( 0.000 9.220 3.808) 9.975 23.135 ( 0.000 7.067 -5.818) 9.154 25.365 ( 0.000 10.882 4.260) 11.686 25.622 ( 0.000 13.053 -9.082) 15.902 26.668 ( -0.000 -8.879 7.735) 11.775 26.919 ( -0.000 -8.844 -4.656) 9.995======================= Grid point 411 (133/180) =======================q-point: ( 0.27 0.27 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.532 ( 8.232 -0.000 8.395) 11.758 2.804 ( 13.990 -0.000 0.773) 14.011 3.023 ( 3.859 -0.000 -5.440) 6.669 3.048 ( 11.823 -0.000 -2.222) 12.030 3.534 ( -9.610 0.000 10.958) 14.575 3.778 ( -5.160 0.000 6.487) 8.289 3.990 ( 3.698 -0.000 -2.511) 4.469 4.249 ( -4.766 0.000 -9.679) 10.789 5.225 ( 2.333 -0.000 2.662) 3.539 5.244 ( -8.610 0.000 -2.235) 8.895 5.404 ( -5.371 0.000 11.025) 12.264 5.988 ( -6.588 0.000 -15.813) 17.131 6.571 ( -8.404 0.000 1.101) 8.476 6.676 ( -7.130 0.000 6.006) 9.322 6.697 ( -10.884 0.000 -5.200) 12.063 6.886 ( 10.398 -0.000 -4.277) 11.243 8.219 ( -7.830 0.000 6.889) 10.429 8.482 ( -3.173 0.000 -7.023) 7.707 10.044 ( 3.862 -0.000 8.264) 9.122 10.165 ( -2.675 0.000 0.273) 2.689 10.352 ( -3.329 0.000 -1.122) 3.513 10.471 ( 0.200 -0.000 -4.996) 5.000 11.181 ( -0.217 0.000 9.157) 9.160 11.482 ( 0.368 -0.000 -6.261) 6.272 11.958 ( 5.813 -0.000 0.524) 5.837 12.025 ( 7.865 -0.000 -3.391) 8.565 13.909 ( 1.849 -0.000 5.602) 5.900 14.096 ( 0.823 -0.000 -4.104) 4.185 22.112 ( -6.035 0.000 1.420) 6.200 22.197 ( -6.378 0.000 -2.658) 6.910 23.166 ( 5.315 -0.000 7.469) 9.167 23.541 ( 0.919 -0.000 -11.184) 11.222 25.555 ( 7.679 -0.000 3.384) 8.391 25.759 ( 11.655 -0.000 -7.060) 13.626 26.413 ( -5.845 0.000 5.477) 8.010 26.526 ( -3.504 0.000 0.182) 3.509======================= Grid point 412 (134/180) =======================q-point: ( 0.36 0.27 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.629 ( 1.523 -1.559 6.957) 7.291 2.879 ( -4.666 -0.584 -2.625) 5.386 3.135 ( 7.080 3.096 -1.683) 7.908 3.197 ( 5.565 1.052 -4.327) 7.128 3.448 ( 3.692 1.981 12.937) 13.598 3.717 ( -0.614 -0.315 0.918) 1.149 4.037 ( -6.832 4.395 -1.583) 8.276 4.126 ( 0.636 -3.126 -1.721) 3.625 5.010 ( -13.699 5.137 -1.924) 14.756 5.176 ( -10.290 -4.997 -7.299) 13.569 5.406 ( 0.178 -3.211 11.287) 11.736 5.891 ( -5.524 -0.045 -11.982) 13.194 6.340 ( -17.552 0.665 1.091) 17.598 6.436 ( -17.637 1.747 -4.437) 18.270 6.597 ( -3.260 0.115 11.816) 12.258 7.018 ( 5.836 0.751 -8.258) 10.140 8.125 ( -6.207 -4.164 10.221) 12.662 8.492 ( -0.417 -6.162 -8.942) 10.868 10.098 ( 3.220 1.680 4.583) 5.848 10.127 ( -1.744 -0.592 1.123) 2.157 10.309 ( -2.467 -1.174 1.085) 2.939 10.491 ( 3.287 1.959 -5.142) 6.410 11.168 ( -0.233 1.145 8.418) 8.499 11.479 ( 0.358 1.431 -7.113) 7.264 12.025 ( 6.270 5.373 2.153) 8.533 12.155 ( 7.108 0.391 -4.814) 8.594 13.941 ( 3.499 1.810 6.379) 7.498 14.159 ( 1.828 -6.416 -4.887) 8.270 22.013 ( -6.027 0.431 0.546) 6.067 22.071 ( -9.085 -1.676 -2.413) 9.549 23.235 ( 3.450 0.813 6.395) 7.311 23.517 ( -2.213 1.889 -7.713) 8.243 25.682 ( 7.772 1.089 4.770) 9.184 25.934 ( 10.190 2.046 -7.783) 12.985 26.330 ( -4.529 -1.146 6.060) 7.652 26.488 ( -1.969 -1.555 -1.798) 3.086======================= Grid point 413 (135/180) =======================q-point: (-0.55 0.27 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.603 ( -6.481 -1.086 3.850) 7.616 2.725 ( -12.901 1.449 -0.096) 12.982 3.068 ( -5.147 8.980 0.405) 10.358 3.201 ( 0.770 5.755 -6.447) 8.676 3.596 ( 9.632 1.753 5.823) 11.391 3.697 ( -2.762 5.092 -0.907) 5.863 3.898 ( 1.720 -4.035 9.343) 10.322 4.260 ( 6.216 -3.874 3.456) 8.098 4.725 ( -13.053 4.730 -5.265) 14.849 5.050 ( -13.529 -9.607 -13.043) 21.106 5.417 ( -0.223 1.759 12.456) 12.581 5.748 ( -14.006 -0.214 -4.117) 14.600 6.007 ( -21.069 0.153 -0.692) 21.081 6.168 ( -10.461 0.060 -8.401) 13.416 6.548 ( -2.321 0.739 12.869) 13.098 7.064 ( 0.976 0.754 -11.542) 11.608 8.109 ( -4.769 -9.639 13.829) 17.518 8.587 ( 0.201 -10.770 -10.834) 15.278 10.081 ( -1.990 -0.514 2.259) 3.054 10.152 ( 0.720 -1.271 -0.137) 1.467 10.297 ( 0.611 -0.023 5.305) 5.340 10.530 ( 5.354 4.181 -5.755) 8.903 11.154 ( 0.600 1.974 7.254) 7.542 11.465 ( 0.773 2.678 -7.913) 8.389 12.046 ( 5.025 7.910 3.560) 10.025 12.235 ( 5.223 4.065 -6.574) 9.329 13.997 ( 4.418 -0.382 8.713) 9.777 14.279 ( 2.361 -8.238 -5.964) 10.440 21.878 ( -9.332 0.590 1.407) 9.456 21.965 ( -6.538 -2.215 -2.825) 7.459 23.264 ( 2.032 1.860 4.101) 4.940 23.439 ( -3.680 2.879 -4.559) 6.528 25.773 ( 6.296 3.976 5.406) 9.202 26.036 ( 6.935 5.425 -6.956) 11.221 26.300 ( -1.881 -3.385 5.768) 6.947 26.496 ( -0.433 -3.417 -3.695) 5.051======================= Grid point 414 (136/180) =======================q-point: (-0.45 0.27 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.392 ( -20.154 2.841 0.721) 20.366 2.475 ( -12.448 0.252 -2.235) 12.650 2.847 ( -4.941 12.651 7.077) 15.315 3.114 ( -1.175 8.445 -8.538) 12.066 3.533 ( -0.316 8.968 4.127) 9.877 3.732 ( 8.326 6.784 -3.569) 11.317 4.076 ( 7.444 -3.659 11.144) 13.892 4.317 ( -9.592 -7.275 17.678) 21.387 4.516 ( -5.863 2.064 -9.735) 11.550 4.977 ( -4.456 -5.882 -12.683) 14.673 5.347 ( -7.158 3.291 5.278) 9.483 5.472 ( -15.275 -1.566 4.379) 15.967 5.702 ( -16.144 -3.591 -2.217) 16.686 6.086 ( -1.956 -1.822 -12.598) 12.879 6.498 ( -2.618 0.975 11.694) 12.023 7.056 ( -1.132 -0.979 -14.243) 14.321 8.184 ( -2.498 -14.610 16.179) 21.942 8.731 ( 0.380 -14.092 -11.982) 18.502 10.061 ( -2.673 -2.167 3.867) 5.176 10.151 ( -2.616 -2.892 -0.465) 3.927 10.343 ( 4.871 0.632 5.439) 7.329 10.567 ( 5.472 5.880 -5.902) 9.968 11.142 ( 1.019 2.669 5.943) 6.594 11.444 ( 0.882 3.695 -8.461) 9.275 12.016 ( 2.919 9.174 4.034) 10.438 12.236 ( 2.859 7.694 -7.993) 11.457 14.095 ( 4.683 -3.498 10.609) 12.113 14.410 ( 2.386 -7.946 -6.139) 10.321 21.712 ( -9.553 0.467 3.828) 10.302 21.883 ( -5.416 -0.542 -4.597) 7.125 23.261 ( 0.997 3.549 1.935) 4.164 23.346 ( -3.220 2.744 -2.193) 4.765 25.795 ( 3.894 7.421 5.634) 10.098 26.051 ( 3.811 7.352 -5.289) 9.826 26.335 ( 0.313 -4.436 4.443) 6.286 26.547 ( 0.635 -5.169 -4.997) 7.217======================= Grid point 415 (137/180) =======================q-point: (-0.36 0.27 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.007 ( -17.858 4.373 4.992) 19.051 2.283 ( -9.834 -0.714 -8.687) 13.141 2.643 ( -1.063 15.944 10.223) 18.969 2.991 ( -0.909 9.899 -10.109) 14.178 3.465 ( 5.461 11.582 7.024) 14.604 3.765 ( 6.855 9.546 -5.745) 13.082 3.987 ( -14.540 5.051 9.895) 18.298 4.234 ( -5.350 2.854 0.208) 6.067 4.474 ( -0.421 -4.496 11.318) 12.185 5.005 ( -3.217 -2.151 3.458) 5.190 5.167 ( -5.463 -4.815 -9.147) 11.692 5.323 ( -7.365 -0.462 -1.985) 7.642 5.580 ( -5.338 -4.420 3.477) 7.754 6.130 ( 0.886 -7.769 -16.281) 18.061 6.449 ( -2.021 0.013 13.809) 13.956 7.069 ( -0.305 -3.767 -15.736) 16.184 8.344 ( -0.444 -18.014 16.656) 24.538 8.907 ( 0.516 -15.906 -12.285) 20.105 10.030 ( -3.566 -2.346 6.151) 7.487 10.166 ( -0.356 -4.350 0.237) 4.371 10.420 ( 3.775 -0.643 2.907) 4.808 10.569 ( 3.298 7.365 -4.452) 9.216 11.124 ( 0.669 3.318 4.762) 5.842 11.410 ( 0.535 4.675 -8.786) 9.967 11.946 ( 1.082 8.898 3.567) 9.647 12.167 ( 0.944 9.757 -8.812) 13.181 14.220 ( 3.540 -5.938 11.386) 13.320 14.526 ( 1.694 -6.520 -5.429) 8.652 21.565 ( -6.518 1.269 5.533) 8.643 21.796 ( -4.105 1.700 -5.898) 7.384 23.211 ( -0.388 5.843 1.672) 6.089 23.286 ( -0.857 2.253 -1.948) 3.099 25.739 ( 1.485 10.367 5.667) 11.908 26.005 ( 1.867 9.362 -5.949) 11.248 26.400 ( 0.618 -5.777 4.830) 7.556 26.628 ( 0.881 -6.979 -5.509) 8.935======================= Grid point 416 (138/180) =======================q-point: (-0.27 0.27 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.794 ( 0.000 4.955 9.251) 10.494 2.209 ( -0.000 -1.338 -11.566) 11.644 2.444 ( 0.000 17.989 11.518) 21.361 2.871 ( 0.000 10.122 -11.996) 15.696 3.397 ( 0.000 15.172 8.963) 17.622 3.724 ( 0.000 9.129 10.032) 13.564 3.730 ( 0.000 10.550 -5.913) 12.094 4.088 ( 0.000 8.112 -8.558) 11.792 4.529 ( -0.000 -3.705 17.395) 17.786 4.952 ( -0.000 -0.908 7.485) 7.540 5.247 ( 0.000 0.207 -7.461) 7.463 5.254 ( -0.000 -7.701 -14.952) 16.819 5.583 ( -0.000 -4.623 12.222) 13.067 6.266 ( -0.000 -13.606 -18.074) 22.623 6.443 ( -0.000 -1.873 17.159) 17.261 7.120 ( -0.000 -5.000 -15.901) 16.669 8.556 ( -0.000 -19.768 15.706) 25.248 9.092 ( -0.000 -15.922 -11.755) 19.792 10.021 ( -0.000 -2.316 7.775) 8.113 10.223 ( -0.000 -5.712 -0.687) 5.753 10.467 ( -0.000 -1.730 0.468) 1.793 10.508 ( 0.000 8.157 -1.570) 8.307 11.090 ( 0.000 3.757 3.920) 5.429 11.357 ( 0.000 5.677 -8.713) 10.399 11.863 ( 0.000 7.256 2.582) 7.701 12.064 ( 0.000 9.647 -8.924) 13.142 14.326 ( -0.000 -6.919 11.181) 13.148 14.601 ( -0.000 -4.001 -4.401) 5.948 21.488 ( 0.000 1.900 5.845) 6.146 21.728 ( 0.000 3.100 -6.057) 6.804 23.134 ( 0.000 7.271 2.525) 7.697 23.249 ( 0.000 3.440 -3.086) 4.622 25.625 ( 0.000 11.844 5.354) 12.997 25.903 ( 0.000 11.547 -7.773) 13.920 26.480 ( -0.000 -7.485 6.170) 9.700 26.723 ( -0.000 -8.368 -5.359) 9.937======================= Grid point 423 (139/180) =======================q-point: ( 0.36 -0.64 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.587 ( -5.668 0.000 3.467) 6.644 2.733 ( -12.632 0.000 -1.729) 12.750 3.183 ( -3.034 0.000 -0.116) 3.036 3.272 ( 2.467 -0.000 -5.139) 5.701 3.627 ( 14.477 -0.000 13.064) 19.500 3.739 ( 3.464 -0.000 1.549) 3.794 3.832 ( -11.830 0.000 4.870) 12.793 4.240 ( 7.219 -0.000 0.873) 7.272 4.815 ( -11.225 0.000 -12.362) 16.698 4.899 ( -17.244 0.000 -8.418) 19.189 5.430 ( 2.661 -0.000 12.584) 12.862 5.747 ( -14.118 0.000 -3.248) 14.487 6.014 ( -21.211 0.000 -0.218) 21.212 6.177 ( -11.500 0.000 -9.632) 15.001 6.554 ( -2.445 0.000 13.783) 13.998 7.073 ( 0.412 -0.000 -11.345) 11.352 7.994 ( -6.194 0.000 13.090) 14.481 8.460 ( 0.366 -0.000 -10.963) 10.969 10.073 ( -3.196 0.000 1.837) 3.686 10.133 ( -0.940 0.000 -0.497) 1.064 10.303 ( 2.487 -0.000 7.497) 7.898 10.579 ( 5.471 -0.000 -6.222) 8.285 11.176 ( 0.470 -0.000 7.508) 7.523 11.496 ( 0.737 -0.000 -8.059) 8.092 12.159 ( 5.706 -0.000 1.906) 6.016 12.267 ( 6.008 -0.000 -3.794) 7.106 14.019 ( 3.967 -0.000 3.988) 5.625 14.150 ( 1.989 -0.000 -2.968) 3.573 21.890 ( -10.635 0.000 0.345) 10.640 21.936 ( -4.233 0.000 -1.841) 4.616 23.284 ( 2.008 -0.000 4.400) 4.836 23.472 ( -4.108 0.000 -5.013) 6.482 25.820 ( 7.556 -0.000 6.122) 9.724 26.107 ( 8.760 -0.000 -7.839) 11.755 26.253 ( -3.576 0.000 6.607) 7.513 26.455 ( -0.855 0.000 -3.880) 3.973======================= Grid point 425 (140/180) =======================q-point: (-0.55 0.36 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.431 ( -16.299 1.239 -1.177) 16.388 2.460 ( -16.277 -1.229 -2.142) 16.464 3.084 ( -2.648 7.063 8.538) 11.393 3.272 ( 0.723 4.478 -6.110) 7.610 3.681 ( -1.446 4.461 6.183) 7.760 3.815 ( 8.189 1.150 1.638) 8.430 3.925 ( 10.870 -8.097 11.485) 17.765 4.255 ( -5.365 1.541 9.805) 11.282 4.585 ( -13.326 3.184 -7.873) 15.802 4.796 ( 0.085 -7.697 -20.848) 22.223 5.415 ( -17.886 1.649 3.929) 18.386 5.455 ( -4.805 0.063 8.679) 9.920 5.673 ( -17.947 0.055 -0.054) 17.947 6.085 ( -1.090 0.717 -13.029) 13.094 6.511 ( -2.610 0.156 11.710) 11.998 7.046 ( -3.069 -0.121 -13.827) 14.164 7.937 ( -4.519 -6.309 15.809) 17.611 8.498 ( 0.123 -5.868 -13.074) 14.331 10.024 ( -3.174 -0.948 3.672) 4.945 10.103 ( -2.771 -1.190 -0.090) 3.017 10.361 ( 4.257 0.591 8.049) 9.124 10.660 ( 5.463 2.166 -7.408) 9.456 11.183 ( 0.949 0.953 6.399) 6.539 11.502 ( 0.820 1.358 -8.784) 8.926 12.205 ( 4.100 6.321 2.700) 8.004 12.344 ( 3.902 1.619 -4.643) 6.277 14.067 ( 3.390 1.225 5.169) 6.302 14.228 ( 1.921 -7.003 -3.336) 7.991 21.721 ( -9.223 0.221 3.477) 9.859 21.878 ( -3.096 -0.068 -4.265) 5.270 23.304 ( 1.088 0.781 2.022) 2.425 23.394 ( -4.145 1.238 -2.400) 4.947 25.915 ( 5.545 2.986 6.715) 9.206 26.175 ( 1.779 3.988 0.176) 4.371 26.255 ( 2.153 -2.919 -0.335) 3.642 26.462 ( 0.233 -2.137 -5.920) 6.298======================= Grid point 426 (141/180) =======================q-point: (-0.45 0.36 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 484Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.079 ( -17.875 2.184 2.131) 18.134 2.262 ( -10.556 -1.021 -7.357) 12.907 2.961 ( 0.453 12.022 11.521) 16.657 3.207 ( 0.507 8.606 -6.493) 10.793 3.644 ( 2.506 4.491 6.689) 8.437 3.920 ( 6.441 3.454 -2.638) 7.770 4.082 ( -8.059 4.630 10.514) 14.033 4.187 ( 6.407 -7.483 12.676) 16.054 4.383 ( -8.331 -1.738 -1.766) 8.692 4.929 ( 3.609 -5.434 -16.662) 17.893 5.091 ( -15.500 -1.134 2.123) 15.685 5.333 ( -9.802 0.359 -5.845) 11.418 5.515 ( -1.978 -0.111 10.998) 11.176 6.075 ( 0.549 1.150 -14.401) 14.457 6.464 ( -2.261 0.823 10.232) 10.512 7.005 ( -2.453 -1.956 -15.501) 15.815 7.989 ( -2.012 -12.590 17.264) 21.462 8.594 ( 0.100 -11.045 -14.044) 17.867 9.988 ( -2.630 -1.350 5.570) 6.306 10.086 ( -1.409 -2.592 1.286) 3.218 10.419 ( 3.032 0.276 6.606) 7.274 10.702 ( 3.515 4.111 -7.715) 9.422 11.182 ( 0.679 1.849 5.440) 5.786 11.492 ( 0.532 2.552 -9.180) 9.543 12.163 ( 1.840 9.646 3.608) 10.461 12.351 ( 1.714 5.651 -6.522) 8.799 14.120 ( 2.261 -2.229 7.758) 8.383 14.346 ( 1.256 -8.841 -4.338) 9.928 21.589 ( -5.659 0.799 5.809) 8.149 21.830 ( -2.015 1.167 -6.111) 6.540 23.301 ( -0.061 2.228 0.389) 2.263 23.323 ( -1.838 1.297 -0.609) 2.331 25.931 ( 2.653 6.430 6.766) 9.704 26.152 ( 0.744 3.565 1.728) 4.031 26.314 ( 1.515 -1.771 -1.430) 2.734 26.504 ( 0.485 -3.967 -6.906) 7.980======================= Grid point 427 (142/180) =======================q-point: (-0.36 0.36 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.885 ( 0.000 3.268 5.104) 6.061 2.179 ( -0.000 -1.268 -9.964) 10.045 2.817 ( 0.000 15.012 11.092) 18.666 3.103 ( 0.000 10.519 -7.725) 13.051 3.630 ( 0.000 5.694 7.366) 9.310 3.916 ( 0.000 7.830 11.593) 13.990 3.923 ( 0.000 6.393 -4.254) 7.679 4.220 ( 0.000 3.312 -3.525) 4.837 4.419 ( -0.000 -7.654 13.604) 15.609 4.930 ( -0.000 -0.715 7.056) 7.093 5.063 ( -0.000 -7.400 -12.605) 14.617 5.244 ( -0.000 -0.502 -8.266) 8.282 5.519 ( -0.000 -2.019 7.071) 7.354 6.080 ( -0.000 -2.118 -16.128) 16.267 6.433 ( 0.000 0.665 12.090) 12.108 7.019 ( -0.000 -3.835 -16.200) 16.648 8.140 ( -0.000 -16.841 17.362) 24.188 8.740 ( -0.000 -14.553 -13.653) 19.955 9.978 ( -0.000 -1.482 6.848) 7.006 10.114 ( -0.000 -4.021 1.074) 4.162 10.446 ( -0.000 -0.295 4.904) 4.913 10.676 ( 0.000 6.123 -6.618) 9.016 11.163 ( 0.000 2.664 4.863) 5.545 11.462 ( 0.000 3.682 -9.235) 9.942 12.064 ( 0.000 10.305 3.874) 11.009 12.282 ( 0.000 8.857 -8.113) 12.011 14.183 ( -0.000 -5.223 9.866) 11.163 14.455 ( -0.000 -8.538 -4.917) 9.853 21.527 ( 0.000 1.457 6.461) 6.623 21.790 ( 0.000 2.352 -6.626) 7.031 23.258 ( 0.000 3.881 0.974) 4.001 23.301 ( 0.000 1.495 -1.110) 1.862 25.864 ( 0.000 9.183 6.438) 11.215 26.108 ( 0.000 6.255 -1.802) 6.509 26.353 ( -0.000 -3.563 1.488) 3.861 26.563 ( -0.000 -5.792 -6.545) 8.740======================= Grid point 436 (143/180) =======================q-point: ( 0.45 -0.55 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.104 ( -17.753 0.000 1.073) 17.786 2.248 ( -10.347 0.000 -6.775) 12.367 3.117 ( 0.693 -0.000 13.139) 13.157 3.315 ( 1.018 -0.000 -5.194) 5.293 3.687 ( -0.245 0.000 8.145) 8.148 3.941 ( 7.281 -0.000 2.038) 7.561 4.070 ( 9.936 -0.000 9.872) 14.007 4.158 ( -6.547 0.000 8.643) 10.843 4.364 ( -11.808 0.000 -0.282) 11.812 4.843 ( 5.925 -0.000 -25.520) 26.198 5.085 ( -16.672 0.000 3.817) 17.104 5.334 ( -11.457 0.000 -7.172) 13.516 5.533 ( -0.884 0.000 14.830) 14.856 6.101 ( 1.304 -0.000 -13.901) 13.962 6.473 ( -1.830 0.000 9.349) 9.526 6.983 ( -3.482 0.000 -15.217) 15.610 7.840 ( -2.560 0.000 17.304) 17.492 8.464 ( -0.124 0.000 -15.009) 15.009 9.973 ( -2.081 0.000 5.316) 5.709 10.057 ( -1.804 0.000 1.651) 2.446 10.423 ( 2.648 -0.000 7.928) 8.358 10.747 ( 3.354 -0.000 -8.554) 9.188 11.203 ( 0.701 -0.000 5.679) 5.722 11.520 ( 0.466 -0.000 -9.293) 9.304 12.300 ( 2.336 -0.000 1.923) 3.026 12.400 ( 1.947 -0.000 -3.245) 3.784 14.125 ( 1.898 -0.000 3.037) 3.581 14.204 ( 1.006 -0.000 -1.437) 1.754 21.598 ( -5.369 0.000 5.923) 7.994 21.843 ( -1.357 0.000 -6.217) 6.363 23.321 ( 0.460 -0.000 0.320) 0.560 23.341 ( -2.689 0.000 -0.634) 2.762 26.006 ( 3.037 -0.000 7.484) 8.077 26.182 ( -0.838 0.000 7.215) 7.264 26.303 ( 2.754 -0.000 -5.851) 6.467 26.459 ( 0.704 -0.000 -8.219) 8.249======================= Grid point 438 (144/180) =======================q-point: (-0.45 0.45 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.937 ( 0.000 1.229 2.899) 3.149 2.157 ( -0.000 -0.609 -8.848) 8.869 3.082 ( 0.000 7.580 13.604) 15.573 3.295 ( 0.000 5.245 -5.160) 7.358 3.686 ( 0.000 0.361 8.238) 8.246 4.015 ( 0.000 2.163 -2.231) 3.107 4.057 ( 0.000 4.276 11.864) 12.611 4.227 ( -0.000 -6.687 9.160) 11.341 4.238 ( -0.000 -0.874 2.262) 2.425 4.926 ( 0.000 0.164 4.729) 4.732 4.928 ( -0.000 -4.205 -23.906) 24.273 5.230 ( -0.000 -0.472 -9.153) 9.165 5.521 ( 0.000 1.471 14.841) 14.914 6.103 ( 0.000 1.792 -14.516) 14.626 6.453 ( 0.000 0.713 8.701) 8.730 6.959 ( -0.000 -1.422 -15.753) 15.817 7.859 ( -0.000 -7.150 17.778) 19.162 8.497 ( -0.000 -6.163 -15.368) 16.557 9.957 ( -0.000 -0.423 6.115) 6.129 10.050 ( -0.000 -1.551 2.169) 2.666 10.445 ( 0.000 0.062 7.424) 7.424 10.765 ( 0.000 1.943 -8.702) 8.916 11.204 ( 0.000 0.963 5.331) 5.418 11.517 ( 0.000 1.268 -9.428) 9.513 12.275 ( 0.000 7.068 2.620) 7.538 12.408 ( 0.000 1.944 -4.376) 4.789 14.129 ( 0.000 0.714 4.771) 4.824 14.263 ( -0.000 -7.345 -2.503) 7.760 21.549 ( 0.000 0.544 6.822) 6.843 21.827 ( 0.000 0.874 -6.958) 7.012 23.312 ( 0.000 1.107 0.158) 1.119 23.322 ( 0.000 0.440 -0.395) 0.591 26.011 ( 0.000 3.581 7.486) 8.299 26.173 ( 0.000 0.524 6.441) 6.462 26.324 ( 0.000 0.079 -4.895) 4.895 26.476 ( -0.000 -1.849 -8.563) 8.761======================= Grid point 500 (145/180) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.923 ( 0.000 0.000 -21.010) 21.010 1.923 ( 0.000 0.000 21.010) 21.010 2.060 ( 0.000 0.000 -20.119) 20.119 2.060 ( 0.000 0.000 20.119) 20.119 2.843 ( 0.000 0.000 -14.048) 14.048 2.843 ( 0.000 0.000 14.048) 14.048 3.430 ( 0.000 0.000 -6.913) 6.913 3.430 ( 0.000 0.000 6.913) 6.913 5.078 ( 0.000 0.000 -7.457) 7.457 5.078 ( 0.000 0.000 7.457) 7.457 5.116 ( 0.000 0.000 -11.455) 11.455 5.116 ( 0.000 0.000 11.455) 11.455 6.398 ( 0.000 0.000 -21.685) 21.685 6.398 ( 0.000 0.000 21.685) 21.685 7.049 ( 0.000 0.000 -18.106) 18.106 7.049 ( 0.000 0.000 18.106) 18.106 9.640 ( 0.000 0.000 -0.838) 0.838 9.640 ( 0.000 0.000 0.838) 0.838 10.370 ( 0.000 0.000 -13.431) 13.431 10.370 ( 0.000 0.000 13.431) 13.431 10.498 ( 0.000 0.000 -4.449) 4.449 10.498 ( 0.000 0.000 4.449) 4.449 10.930 ( 0.000 0.000 -4.907) 4.907 10.930 ( 0.000 0.000 4.907) 4.907 11.733 ( 0.000 0.000 -1.544) 1.544 11.733 ( 0.000 0.000 1.544) 1.544 14.516 ( 0.000 0.000 -5.793) 5.793 14.516 ( 0.000 0.000 5.793) 5.793 21.494 ( 0.000 0.000 -4.924) 4.924 21.494 ( 0.000 0.000 4.924) 4.924 22.747 ( 0.000 0.000 -3.680) 3.680 22.747 ( 0.000 0.000 3.680) 3.680 25.168 ( 0.000 0.000 -3.585) 3.585 25.168 ( 0.000 0.000 3.585) 3.585 27.056 ( 0.000 0.000 -6.609) 6.609 27.056 ( 0.000 0.000 6.609) 6.609======================= Grid point 502 (146/180) =======================q-point: ( 0.09 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 303Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.940 ( 2.079 -1.709 -15.437) 15.670 1.940 ( 2.079 -1.709 15.437) 15.670 2.151 ( 7.593 -3.283 -16.601) 18.548 2.151 ( 7.593 -3.283 16.601) 18.548 2.923 ( 6.895 -3.628 -11.660) 14.024 2.923 ( 6.895 -3.628 11.660) 14.024 3.644 ( 21.246 -3.499 -7.437) 22.781 3.644 ( 21.246 -3.499 7.437) 22.781 5.045 ( -5.961 2.029 -12.901) 14.356 5.045 ( -5.961 2.029 12.901) 14.356 5.212 ( 14.276 -0.270 -9.675) 17.248 5.212 ( 14.276 -0.270 9.675) 17.248 6.373 ( -1.700 2.157 -21.878) 22.050 6.373 ( -1.700 2.157 21.878) 22.050 7.017 ( -2.532 1.774 -17.670) 17.939 7.017 ( -2.532 1.774 17.670) 17.939 9.474 ( -13.819 4.547 -2.322) 14.732 9.474 ( -13.819 4.547 2.322) 14.732 10.346 ( -2.523 1.641 -11.380) 11.772 10.346 ( -2.523 1.641 11.380) 11.772 10.552 ( 5.653 1.825 -4.302) 7.335 10.552 ( 5.653 1.825 4.302) 7.335 10.956 ( 2.225 -2.051 -5.213) 6.028 10.956 ( 2.225 -2.051 5.213) 6.028 11.728 ( -0.216 0.348 -2.200) 2.237 11.728 ( -0.216 0.348 2.200) 2.237 14.465 ( -6.919 -2.112 -3.234) 7.925 14.465 ( -6.919 -2.112 3.234) 7.925 21.631 ( 14.916 0.249 -7.641) 16.761 21.631 ( 14.916 0.249 7.641) 16.761 22.779 ( 0.854 -4.474 -4.195) 6.192 22.779 ( 0.854 -4.474 4.195) 6.192 25.195 ( 0.828 -3.680 -3.764) 5.329 25.195 ( 0.828 -3.680 3.764) 5.329 27.005 ( -3.838 3.089 -5.966) 7.737 27.005 ( -3.838 3.089 5.966) 7.737======================= Grid point 504 (147/180) =======================q-point: ( 0.18 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 303Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.051 ( 7.021 -4.914 -12.361) 15.041 2.051 ( 7.021 -4.914 12.361) 15.041 2.353 ( 9.513 -6.082 -15.618) 19.272 2.353 ( 9.513 -6.082 15.618) 19.272 3.130 ( 13.347 -2.305 -7.411) 15.439 3.130 ( 13.347 -2.305 7.411) 15.439 4.108 ( 25.503 -5.086 -5.507) 26.582 4.108 ( 25.503 -5.086 5.507) 26.582 4.884 ( -9.264 1.994 -14.459) 17.288 4.884 ( -9.264 1.994 14.459) 17.288 5.522 ( 20.881 0.340 -10.179) 23.232 5.522 ( 20.881 0.340 10.179) 23.232 6.293 ( -2.145 5.554 -21.210) 22.030 6.293 ( -2.145 5.554 21.210) 22.030 6.933 ( -4.297 2.670 -16.403) 17.166 6.933 ( -4.297 2.670 16.403) 17.166 9.178 ( -14.605 3.392 -6.849) 16.484 9.178 ( -14.605 3.392 6.849) 16.484 10.258 ( -4.721 2.568 -9.135) 10.599 10.258 ( -4.721 2.568 9.135) 10.599 10.579 ( 1.049 3.597 -4.128) 5.575 10.579 ( 1.049 3.597 4.128) 5.575 11.051 ( 5.866 -1.575 -7.178) 9.403 11.051 ( 5.866 -1.575 7.178) 9.403 11.725 ( 0.068 -0.220 -3.545) 3.553 11.725 ( 0.068 -0.220 3.545) 3.553 14.361 ( -8.862 -3.776 -3.485) 10.244 14.361 ( -8.862 -3.776 3.485) 10.244 21.899 ( 17.344 3.089 -10.154) 20.333 21.899 ( 17.344 3.089 10.154) 20.333 22.875 ( 2.839 -7.164 -5.855) 9.678 22.875 ( 2.839 -7.164 5.855) 9.678 25.275 ( 1.802 -6.465 -3.670) 7.649 25.275 ( 1.802 -6.465 3.670) 7.649 26.878 ( -5.603 4.655 -5.031) 8.853 26.878 ( -5.603 4.655 5.031) 8.853======================= Grid point 506 (148/180) =======================q-point: ( 0.27 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 303Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.275 ( 11.045 -7.844 -8.425) 15.953 2.275 ( 11.045 -7.844 8.425) 15.953 2.573 ( 7.689 -6.936 -12.027) 15.871 2.573 ( 7.689 -6.936 12.027) 15.871 3.390 ( 15.752 0.243 -5.241) 16.603 3.390 ( 15.752 0.243 5.241) 16.603 4.388 ( -1.723 2.737 -6.809) 7.538 4.388 ( -1.723 2.737 6.809) 7.538 4.862 ( 11.340 -5.920 -16.597) 20.955 4.862 ( 11.340 -5.920 16.597) 20.955 5.774 ( 8.403 4.904 -11.301) 14.912 5.774 ( 8.403 4.904 11.301) 14.912 6.258 ( 8.839 5.088 -10.387) 14.557 6.258 ( 8.839 5.088 10.387) 14.557 6.828 ( -4.667 2.170 -14.370) 15.264 6.828 ( -4.667 2.170 14.370) 15.264 8.947 ( -10.975 -0.363 -10.798) 15.401 8.947 ( -10.975 -0.363 10.798) 15.401 10.144 ( -4.783 3.382 -7.512) 9.526 10.144 ( -4.783 3.382 7.512) 9.526 10.529 ( -1.645 3.444 -3.748) 5.349 10.529 ( -1.645 3.444 3.748) 5.349 11.151 ( 5.045 0.697 -8.389) 9.814 11.151 ( 5.045 0.697 8.389) 9.814 11.741 ( 0.701 -1.637 -4.875) 5.190 11.741 ( 0.701 -1.637 4.875) 5.190 14.269 ( -7.303 -4.063 -8.149) 11.673 14.269 ( -7.303 -4.063 8.149) 11.673 22.097 ( 11.443 4.496 -8.369) 14.872 22.097 ( 11.443 4.496 8.369) 14.872 23.016 ( 4.542 -6.182 -7.735) 10.893 23.016 ( 4.542 -6.182 7.735) 10.893 25.389 ( 2.406 -7.189 -2.928) 8.127 25.389 ( 2.406 -7.189 2.928) 8.127 26.735 ( -5.066 4.392 -4.717) 8.198 26.735 ( -5.066 4.392 4.717) 8.198======================= Grid point 508 (149/180) =======================q-point: ( 0.36 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 303Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.573 ( 12.428 -9.353 -3.927) 16.042 2.573 ( 12.428 -9.353 3.927) 16.042 2.747 ( 5.218 -4.833 -5.660) 9.089 2.747 ( 5.218 -4.833 5.660) 9.089 3.609 ( 10.862 2.545 -8.633) 14.107 3.609 ( 10.862 2.545 8.633) 14.107 4.173 ( -12.780 3.997 -9.921) 16.665 4.173 ( -12.780 3.997 9.921) 16.665 5.189 ( 13.776 -4.979 -7.648) 16.524 5.189 ( 13.776 -4.979 7.648) 16.524 5.731 ( -0.492 6.295 -15.786) 17.002 5.731 ( -0.492 6.295 15.786) 17.002 6.433 ( 13.032 3.134 -1.997) 13.551 6.433 ( 13.032 3.134 1.997) 13.551 6.746 ( -3.068 0.422 -11.278) 11.695 6.746 ( -3.068 0.422 11.278) 11.695 8.820 ( -6.606 -2.664 -13.233) 15.029 8.820 ( -6.606 -2.664 13.233) 15.029 10.032 ( -3.734 3.663 -5.543) 7.621 10.032 ( -3.734 3.663 5.543) 7.621 10.468 ( -1.444 2.213 -3.581) 4.451 10.468 ( -1.444 2.213 3.581) 4.451 11.199 ( 2.498 1.666 -8.366) 8.888 11.199 ( 2.498 1.666 8.366) 8.888 11.778 ( 0.887 -2.105 -5.915) 6.340 11.778 ( 0.887 -2.105 5.915) 6.340 14.211 ( -4.530 -2.978 -11.502) 12.716 14.211 ( -4.530 -2.978 11.502) 12.716 22.190 ( 5.582 3.295 -5.620) 8.579 22.190 ( 5.582 3.295 5.620) 8.579 23.142 ( 3.766 -3.375 -7.971) 9.440 23.142 ( 3.766 -3.375 7.971) 9.440 25.499 ( 1.994 -5.389 -2.363) 6.214 25.499 ( 1.994 -5.389 2.363) 6.214 26.624 ( -3.202 2.888 -4.617) 6.317 26.624 ( -3.202 2.888 4.617) 6.317======================= Grid point 510 (150/180) =======================q-point: ( 0.45 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 303Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.816 ( 2.609 -4.601 -5.916) 7.936 2.816 ( 2.609 -4.601 5.917) 7.936 2.877 ( 7.272 -2.709 -4.773) 9.110 2.877 ( 7.272 -2.709 4.773) 9.110 3.637 ( -1.837 3.798 -13.712) 14.347 3.637 ( -1.837 3.798 13.712) 14.347 4.009 ( -2.602 0.583 -12.005) 12.298 4.009 ( -2.602 0.583 12.005) 12.298 5.340 ( 2.355 0.127 -10.052) 10.325 5.340 ( 2.355 0.127 10.052) 10.325 5.716 ( 2.297 0.704 -9.629) 9.924 5.716 ( 2.297 0.704 9.629) 9.924 6.548 ( 4.099 1.692 -2.985) 5.346 6.548 ( 4.099 1.692 2.985) 5.346 6.721 ( -0.430 -0.346 -4.937) 4.968 6.721 ( -0.430 -0.346 4.937) 4.968 8.775 ( -2.114 -1.568 -14.300) 14.541 8.775 ( -2.114 -1.568 14.300) 14.541 9.954 ( -1.526 1.765 -3.675) 4.353 9.954 ( -1.526 1.765 3.675) 4.353 10.437 ( -0.454 0.700 -3.843) 3.933 10.437 ( -0.454 0.700 3.843) 3.933 11.209 ( 0.669 0.782 -8.127) 8.192 11.209 ( 0.669 0.782 8.127) 8.192 11.807 ( 0.366 -0.916 -6.419) 6.494 11.807 ( 0.366 -0.916 6.419) 6.494 14.183 ( -1.512 -1.078 -13.206) 13.336 14.183 ( -1.512 -1.078 13.206) 13.336 22.223 ( 1.614 1.156 -4.086) 4.542 22.223 ( 1.614 1.156 4.086) 4.542 23.209 ( 1.384 -0.998 -7.335) 7.531 23.209 ( 1.384 -0.998 7.335) 7.531 25.564 ( 0.744 -1.946 -2.382) 3.165 25.564 ( 0.744 -1.946 2.382) 3.165 26.568 ( -1.042 0.962 -4.535) 4.752 26.568 ( -1.042 0.962 4.535) 4.752======================= Grid point 524 (151/180) =======================q-point: ( 0.09 0.09 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.995 ( 6.383 -0.000 -8.542) 10.664 1.995 ( 6.383 -0.000 8.542) 10.664 2.281 ( 9.572 -0.000 -14.353) 17.252 2.281 ( 9.572 -0.000 14.353) 17.252 3.107 ( 16.163 -0.000 -6.870) 17.563 3.107 ( 16.163 -0.000 6.870) 17.563 4.046 ( 27.280 -0.000 -5.639) 27.857 4.046 ( 27.280 -0.000 5.639) 27.857 4.911 ( -10.996 0.000 -13.495) 17.407 4.911 ( -10.996 0.000 13.495) 17.407 5.524 ( 21.715 -0.000 -10.166) 23.977 5.524 ( 21.715 -0.000 10.166) 23.977 6.354 ( -1.771 0.000 -20.970) 21.045 6.354 ( -1.771 0.000 20.970) 21.045 6.965 ( -4.811 0.000 -15.938) 16.649 6.965 ( -4.811 0.000 15.938) 16.649 9.219 ( -17.952 0.000 -1.739) 18.036 9.219 ( -17.952 0.000 1.739) 18.036 10.289 ( -4.722 0.000 -11.752) 12.665 10.289 ( -4.722 0.000 11.752) 12.665 10.617 ( -0.186 0.000 -4.364) 4.368 10.617 ( -0.186 0.000 4.364) 4.368 11.034 ( 8.084 -0.000 -6.331) 10.269 11.034 ( 8.084 -0.000 6.331) 10.269 11.732 ( 0.449 -0.000 -1.627) 1.688 11.732 ( 0.449 -0.000 1.627) 1.688 14.309 ( -9.424 0.000 -0.125) 9.425 14.309 ( -9.424 0.000 0.125) 9.425 21.941 ( 19.298 -0.000 -12.034) 22.743 21.941 ( 19.298 -0.000 12.034) 22.743 22.784 ( 3.428 -0.000 -2.458) 4.218 22.784 ( 3.428 -0.000 2.458) 4.218 25.200 ( 2.325 -0.000 -2.697) 3.561 25.200 ( 2.325 -0.000 2.697) 3.561 26.932 ( -6.523 0.000 -4.339) 7.834 26.932 ( -6.523 0.000 4.339) 7.834======================= Grid point 526 (152/180) =======================q-point: ( 0.18 0.09 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 303Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.154 ( 10.692 -2.820 -5.940) 12.552 2.154 ( 10.692 -2.820 5.940) 12.552 2.459 ( 9.636 -2.860 -13.035) 16.460 2.459 ( 9.636 -2.860 13.035) 16.460 3.403 ( 18.490 0.516 -2.591) 18.678 3.403 ( 18.490 0.516 2.591) 18.678 4.424 ( 8.942 0.578 -2.653) 9.345 4.424 ( 8.942 0.578 2.653) 9.345 4.767 ( 1.145 -2.163 -18.293) 18.456 4.767 ( 1.145 -2.163 18.293) 18.456 5.839 ( 13.069 1.220 -4.635) 13.921 5.839 ( 13.069 1.220 4.635) 13.921 6.348 ( 4.977 2.360 -15.048) 16.025 6.348 ( 4.977 2.360 15.048) 16.025 6.868 ( -5.689 1.076 -13.399) 14.597 6.868 ( -5.689 1.076 13.399) 14.597 8.931 ( -16.048 -0.512 -4.766) 16.748 8.931 ( -16.048 -0.512 4.766) 16.748 10.205 ( -4.035 1.591 -10.306) 11.182 10.205 ( -4.035 1.591 10.306) 11.182 10.571 ( -3.976 0.635 -3.479) 5.322 10.571 ( -3.976 0.635 3.479) 5.322 11.173 ( 7.830 0.650 -7.498) 10.861 11.173 ( 7.830 0.650 7.498) 10.861 11.744 ( 1.647 0.982 -2.634) 3.258 11.744 ( 1.647 0.982 2.634) 3.258 14.179 ( -7.751 -2.864 -4.092) 9.221 14.179 ( -7.751 -2.864 4.092) 9.221 22.184 ( 10.566 2.571 -9.274) 14.292 22.184 ( 10.566 2.571 9.274) 14.292 22.905 ( 8.456 -3.124 -5.036) 10.326 22.905 ( 8.456 -3.124 5.036) 10.326 25.272 ( 4.262 -2.883 -1.503) 5.361 25.272 ( 4.262 -2.883 1.503) 5.361 26.806 ( -7.022 1.728 -3.254) 7.930 26.806 ( -7.022 1.728 3.254) 7.930======================= Grid point 528 (153/180) =======================q-point: ( 0.27 0.09 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 303Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.401 ( 12.943 -5.603 -3.377) 14.503 2.401 ( 12.943 -5.603 3.377) 14.503 2.651 ( 9.062 -3.393 -7.683) 12.355 2.651 ( 9.062 -3.393 7.683) 12.355 3.669 ( 14.276 2.422 -6.290) 15.787 3.669 ( 14.276 2.422 6.290) 15.787 4.260 ( -14.841 3.499 -6.749) 16.675 4.260 ( -14.841 3.499 6.749) 16.675 5.052 ( 16.493 -6.004 -11.139) 20.788 5.052 ( 16.493 -6.004 11.139) 20.788 5.865 ( -3.020 4.647 -14.590) 15.608 5.865 ( -3.020 4.647 14.590) 15.608 6.496 ( 12.677 2.297 -3.472) 13.343 6.496 ( 12.677 2.297 3.472) 13.343 6.769 ( -4.123 1.285 -9.770) 10.682 6.769 ( -4.123 1.285 9.770) 10.682 8.723 ( -11.794 -4.373 -8.264) 15.050 8.723 ( -11.794 -4.373 8.264) 15.050 10.125 ( -2.247 3.549 -8.260) 9.266 10.125 ( -2.247 3.549 8.260) 9.266 10.494 ( -4.209 0.271 -3.026) 5.191 10.494 ( -4.209 0.271 3.026) 5.191 11.258 ( 4.338 2.563 -7.947) 9.409 11.258 ( 4.338 2.563 7.947) 9.409 11.769 ( 3.005 1.218 -4.484) 5.533 11.769 ( 3.005 1.218 4.484) 5.533 14.118 ( -4.685 -4.461 -8.078) 10.349 14.118 ( -4.685 -4.461 8.078) 10.349 22.254 ( 2.295 2.192 -4.468) 5.480 22.254 ( 2.295 2.192 4.468) 5.480 23.086 ( 8.775 -1.642 -9.400) 12.964 23.086 ( 8.775 -1.642 9.400) 12.964 25.394 ( 5.558 -3.672 -0.946) 6.729 25.394 ( 5.558 -3.672 0.946) 6.729 26.677 ( -5.836 1.724 -3.335) 6.939 26.677 ( -5.836 1.724 3.335) 6.939======================= Grid point 530 (154/180) =======================q-point: ( 0.36 0.09 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 303Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.674 ( 10.068 -6.511 -6.595) 13.684 2.674 ( 10.068 -6.511 6.595) 13.684 2.832 ( 9.362 -1.866 -2.403) 9.844 2.832 ( 9.362 -1.866 2.403) 9.844 3.751 ( -1.697 5.811 -11.640) 13.120 3.751 ( -1.697 5.811 11.640) 13.120 4.034 ( -5.041 1.346 -11.973) 13.061 4.034 ( -5.041 1.346 11.973) 13.061 5.295 ( 4.467 -3.744 -1.272) 5.966 5.295 ( 4.467 -3.744 1.272) 5.966 5.756 ( -2.843 2.489 -12.877) 13.420 5.756 ( -2.843 2.489 12.877) 13.420 6.604 ( 2.426 3.026 -3.271) 5.074 6.604 ( 2.426 3.026 3.271) 5.074 6.727 ( 0.839 0.777 -4.370) 4.517 6.727 ( 0.839 0.777 4.370) 4.517 8.643 ( -6.477 -8.191 -10.911) 15.103 8.643 ( -6.477 -8.191 10.911) 15.103 10.052 ( -0.348 5.378 -6.271) 8.269 10.052 ( -0.348 5.378 6.271) 8.269 10.435 ( -3.067 -0.647 -3.086) 4.399 10.435 ( -3.067 -0.647 3.086) 4.399 11.267 ( 1.474 3.638 -7.933) 8.851 11.267 ( 1.474 3.638 7.933) 8.851 11.812 ( 3.720 1.510 -5.723) 6.991 11.812 ( 3.720 1.510 5.723) 6.991 14.116 ( -1.596 -4.398 -11.042) 11.992 14.116 ( -1.596 -4.398 11.042) 11.992 22.239 ( -1.918 0.336 -3.252) 3.790 22.239 ( -1.918 0.336 3.252) 3.790 23.209 ( 5.472 0.796 -9.157) 10.697 23.209 ( 5.472 0.796 9.157) 10.697 25.520 ( 5.386 -1.891 -2.482) 6.225 25.520 ( 5.386 -1.891 2.482) 6.225 26.583 ( -3.889 0.430 -3.806) 5.458 26.583 ( -3.889 0.430 3.806) 5.458======================= Grid point 532 (155/180) =======================q-point: ( 0.45 0.09 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 303Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.829 ( 2.740 -2.265 -6.197) 7.144 2.829 ( 2.740 -2.265 6.197) 7.144 2.957 ( 2.290 2.899 -3.299) 4.953 2.957 ( 2.290 2.899 3.299) 4.953 3.611 ( -3.502 1.819 -13.466) 14.033 3.611 ( -3.502 1.819 13.466) 14.033 4.014 ( 1.333 0.960 -11.285) 11.404 4.014 ( 1.333 0.960 11.285) 11.404 5.302 ( -5.302 -2.597 -11.890) 13.275 5.302 ( -5.302 -2.597 11.890) 13.275 5.714 ( -2.559 -0.053 -10.868) 11.165 5.714 ( -2.559 -0.053 10.868) 11.165 6.538 ( -6.933 0.911 -3.008) 7.613 6.538 ( -6.933 0.911 3.008) 7.613 6.743 ( 1.972 1.492 -5.166) 5.727 6.743 ( 1.972 1.492 5.166) 5.727 8.675 ( -1.981 -9.314 -12.895) 16.029 8.675 ( -1.981 -9.314 12.895) 16.029 10.005 ( 2.276 5.303 -4.267) 7.177 10.005 ( 2.276 5.303 4.267) 7.177 10.406 ( -2.001 -1.694 -2.822) 3.852 10.406 ( -2.001 -1.694 2.822) 3.852 11.241 ( 0.163 3.148 -7.927) 8.530 11.241 ( 0.163 3.148 7.927) 8.530 11.849 ( 3.305 2.829 -6.196) 7.571 11.849 ( 3.305 2.829 6.196) 7.571 14.157 ( 1.231 -3.247 -12.516) 12.989 14.157 ( 1.231 -3.247 12.516) 12.989 22.191 ( -4.654 -1.568 -3.700) 6.149 22.191 ( -4.654 -1.568 3.700) 6.149 23.252 ( 2.150 2.604 -7.537) 8.259 23.252 ( 2.150 2.604 7.537) 8.259 25.603 ( 4.119 1.490 -3.562) 5.645 25.603 ( 4.119 1.490 3.562) 5.645 26.541 ( -1.819 -1.392 -4.397) 4.958 26.541 ( -1.819 -1.392 4.397) 4.958======================= Grid point 534 (156/180) =======================q-point: (-0.45 0.09 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 303Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.776 ( -10.354 6.591 -3.150) 12.671 2.776 ( -10.354 6.591 3.150) 12.671 2.857 ( -0.797 6.132 -6.053) 8.654 2.857 ( -0.797 6.132 6.053) 8.654 3.572 ( -5.536 -0.442 -8.681) 10.306 3.572 ( -5.536 -0.442 8.681) 10.306 4.097 ( 9.324 -2.570 -10.815) 14.509 4.097 ( 9.324 -2.570 10.815) 14.509 5.212 ( -10.837 -3.308 -12.844) 17.128 5.212 ( -10.837 -3.308 12.844) 17.128 5.651 ( -3.774 -0.284 -12.517) 13.076 5.651 ( -3.774 -0.284 12.517) 13.076 6.369 ( -14.017 -2.310 -1.654) 14.302 6.369 ( -14.017 -2.310 1.654) 14.302 6.757 ( 1.905 1.401 -11.561) 11.800 6.757 ( 1.905 1.401 11.561) 11.800 8.767 ( 1.219 -7.951 -14.280) 16.390 8.767 ( 1.219 -7.951 14.280) 16.390 10.019 ( 4.949 2.900 -2.917) 6.434 10.019 ( 4.949 2.900 2.917) 6.434 10.405 ( -1.265 -2.969 -2.231) 3.923 10.405 ( -1.265 -2.969 2.231) 3.923 11.208 ( -0.502 2.285 -8.045) 8.378 11.208 ( -0.502 2.285 8.045) 8.378 11.853 ( 2.106 4.475 -6.085) 7.842 11.853 ( 2.106 4.475 6.085) 7.842 14.227 ( 3.835 -1.643 -12.337) 13.023 14.227 ( 3.835 -1.643 12.337) 13.023 22.118 ( -7.393 -3.024 -4.774) 9.305 22.118 ( -7.393 -3.024 4.774) 9.305 23.229 ( -0.287 4.180 -6.429) 7.674 23.229 ( -0.287 4.180 6.429) 7.674 25.620 ( 2.462 5.260 -4.155) 7.141 25.620 ( 2.462 5.260 4.155) 7.141 26.554 ( 0.243 -3.330 -5.004) 6.015 26.554 ( 0.243 -3.330 5.004) 6.015======================= Grid point 536 (157/180) =======================q-point: (-0.36 0.09 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 303Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.482 ( -11.674 9.984 -5.902) 16.456 2.482 ( -11.674 9.984 5.902) 16.456 2.737 ( -5.507 7.264 -9.385) 13.083 2.737 ( -5.507 7.264 9.385) 13.083 3.413 ( -10.040 2.790 -4.369) 11.300 3.413 ( -10.040 2.790 4.369) 11.300 4.312 ( 7.799 -3.791 -10.377) 13.523 4.312 ( 7.799 -3.791 10.377) 13.523 4.980 ( -15.145 3.022 -13.697) 20.642 4.980 ( -15.145 3.022 13.697) 20.642 5.637 ( -4.223 -5.878 -14.847) 16.517 5.637 ( -4.223 -5.878 14.847) 16.517 6.151 ( -14.195 -4.217 -5.392) 15.759 6.151 ( -14.195 -4.217 5.392) 15.759 6.789 ( 2.437 -1.031 -14.985) 15.217 6.789 ( 2.437 -1.031 14.985) 15.217 8.892 ( 4.233 -6.624 -14.322) 16.338 8.892 ( 4.233 -6.624 14.322) 16.338 10.096 ( 5.855 0.010 -3.656) 6.903 10.096 ( 5.855 0.010 3.656) 6.903 10.431 ( -0.753 -4.523 -2.603) 5.272 10.431 ( -0.753 -4.523 2.603) 5.272 11.169 ( -1.358 2.283 -8.116) 8.540 11.169 ( -1.358 2.283 8.116) 8.540 11.822 ( 0.867 5.313 -5.416) 7.636 11.822 ( 0.867 5.313 5.416) 7.636 14.319 ( 6.067 -0.072 -10.493) 12.121 14.319 ( 6.067 -0.072 10.493) 12.121 22.006 ( -10.755 -3.484 -6.292) 12.938 22.006 ( -10.755 -3.484 6.292) 12.938 23.156 ( -1.519 5.996 -6.251) 8.794 23.156 ( -1.519 5.996 6.251) 8.794 25.569 ( 0.881 8.564 -4.733) 9.824 25.569 ( 0.881 8.564 4.733) 9.824 26.623 ( 2.243 -5.381 -5.538) 8.041 26.623 ( 2.243 -5.381 5.538) 8.041======================= Grid point 538 (158/180) =======================q-point: (-0.27 0.09 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 303Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.200 ( -9.787 7.857 -10.665) 16.470 2.200 ( -9.787 7.857 10.665) 16.470 2.522 ( -9.063 8.476 -13.898) 18.632 2.522 ( -9.063 8.476 13.898) 18.632 3.224 ( -5.871 6.480 -7.798) 11.716 3.224 ( -5.871 6.480 7.798) 11.716 4.232 ( -18.581 4.979 -4.048) 19.658 4.232 ( -18.581 4.979 4.048) 19.658 4.849 ( 3.762 -0.818 -16.612) 17.052 4.849 ( 3.762 -0.818 16.612) 17.052 5.498 ( -17.860 -2.070 -9.880) 20.515 5.498 ( -17.860 -2.070 9.880) 20.515 6.117 ( 0.597 -9.461 -18.316) 20.624 6.117 ( 0.597 -9.461 18.316) 20.624 6.860 ( 2.717 -3.550 -17.073) 17.648 6.860 ( 2.717 -3.550 17.073) 17.648 9.064 ( 7.252 -7.586 -12.374) 16.225 9.064 ( 7.252 -7.586 12.374) 16.225 10.198 ( 4.624 -2.123 -3.922) 6.424 10.198 ( 4.624 -2.123 3.922) 6.424 10.471 ( -1.414 -5.182 -2.680) 6.003 10.471 ( -1.414 -5.182 2.680) 6.003 11.108 ( -1.977 3.517 -7.542) 8.553 11.108 ( -1.977 3.517 7.542) 8.553 11.775 ( 0.368 4.444 -4.344) 6.225 11.775 ( 0.368 4.444 4.344) 6.225 14.425 ( 7.222 1.105 -7.030) 10.139 14.425 ( 7.222 1.105 7.030) 10.139 21.835 ( -13.539 -2.286 -7.344) 15.572 21.835 ( -13.539 -2.286 7.344) 15.572 23.052 ( -1.483 7.872 -6.216) 10.139 23.052 ( -1.483 7.872 6.216) 10.139 25.468 ( -0.122 10.314 -5.368) 11.628 25.468 ( -0.122 10.314 5.368) 11.628 26.743 ( 3.456 -7.084 -5.954) 9.878 26.743 ( 3.456 -7.084 5.954) 9.878======================= Grid point 540 (159/180) =======================q-point: (-0.18 0.09 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 303Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.003 ( -5.725 3.586 -15.847) 17.227 2.003 ( -5.725 3.586 15.847) 17.227 2.288 ( -6.482 8.662 -17.512) 20.584 2.288 ( -6.482 8.662 17.512) 20.584 3.080 ( -0.637 10.167 -11.749) 15.550 3.080 ( -0.637 10.167 11.749) 15.550 3.785 ( -20.806 8.570 -8.526) 24.063 3.785 ( -20.806 8.570 8.526) 24.063 4.975 ( 5.355 -3.713 -15.237) 16.572 4.975 ( 5.355 -3.713 15.237) 16.572 5.218 ( -14.082 0.164 -9.599) 17.043 5.218 ( -14.082 0.164 9.599) 17.043 6.262 ( 2.532 -8.197 -22.382) 23.970 6.262 ( 2.532 -8.197 22.382) 23.970 6.945 ( 1.913 -4.383 -18.367) 18.979 6.945 ( 1.913 -4.383 18.367) 18.979 9.299 ( 8.240 -10.537 -8.156) 15.667 9.299 ( 8.240 -10.537 8.156) 15.667 10.285 ( 1.760 -3.407 -5.480) 6.689 10.285 ( 1.760 -3.407 5.480) 6.689 10.484 ( -2.863 -3.516 -1.889) 4.912 10.484 ( -2.863 -3.516 1.889) 4.912 11.034 ( -1.095 4.563 -5.813) 7.471 11.034 ( -1.095 4.563 5.813) 7.471 11.743 ( 0.336 2.329 -3.299) 4.053 11.743 ( 0.336 2.329 3.299) 4.053 14.521 ( 5.708 1.782 -2.601) 6.521 14.521 ( 5.708 1.782 2.601) 6.521 21.629 ( -11.411 0.271 -6.583) 13.176 21.629 ( -11.411 0.271 6.583) 13.176 22.939 ( -0.741 8.716 -5.645) 10.410 22.939 ( -0.741 8.716 5.645) 10.410 25.349 ( -0.343 9.744 -5.566) 11.227 25.349 ( -0.343 9.744 5.566) 11.227 26.881 ( 2.832 -7.550 -6.355) 10.267 26.881 ( 2.832 -7.550 6.355) 10.267======================= Grid point 542 (160/180) =======================q-point: (-0.09 0.09 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.936 ( 0.000 1.023 -19.216) 19.243 1.936 ( 0.000 1.023 19.216) 19.243 2.142 ( 0.000 7.037 -19.981) 21.184 2.142 ( 0.000 7.037 19.981) 21.184 2.960 ( 0.000 10.194 -14.722) 17.907 2.960 ( 0.000 10.194 14.722) 17.907 3.502 ( 0.000 6.246 -7.934) 10.097 3.502 ( 0.000 6.246 7.934) 10.097 5.071 ( -0.000 -3.652 -14.111) 14.576 5.071 ( -0.000 -3.652 14.112) 14.576 5.084 ( 0.000 0.492 -7.413) 7.429 5.084 ( 0.000 0.492 7.413) 7.429 6.353 ( -0.000 -4.546 -22.461) 22.916 6.353 ( -0.000 -4.546 22.461) 22.916 7.008 ( -0.000 -3.541 -18.578) 18.912 7.008 ( -0.000 -3.541 18.578) 18.912 9.509 ( -0.000 -10.677 -3.594) 11.266 9.509 ( -0.000 -10.677 3.594) 11.266 10.332 ( -0.000 -3.123 -11.533) 11.948 10.332 ( -0.000 -3.123 11.533) 11.948 10.478 ( -0.000 -1.623 -6.093) 6.305 10.478 ( -0.000 -1.623 6.093) 6.305 10.978 ( 0.000 3.915 -4.738) 6.146 10.978 ( 0.000 3.915 4.738) 6.146 11.731 ( 0.000 0.494 -2.595) 2.642 11.731 ( 0.000 0.494 2.595) 2.642 14.551 ( 0.000 2.274 -2.949) 3.724 14.551 ( 0.000 2.274 2.949) 3.724 21.510 ( 0.000 1.378 -5.144) 5.325 21.510 ( 0.000 1.378 5.144) 5.325 22.841 ( 0.000 7.561 -4.858) 8.987 22.841 ( 0.000 7.561 4.858) 8.987 25.250 ( 0.000 7.208 -4.923) 8.729 25.250 ( 0.000 7.208 4.923) 8.729 26.985 ( -0.000 -6.111 -6.634) 9.019 26.985 ( -0.000 -6.111 6.634) 9.019======================= Grid point 548 (161/180) =======================q-point: ( 0.18 0.18 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.337 ( 12.954 -0.000 -0.038) 12.954 2.337 ( 12.954 -0.000 0.038) 12.954 2.611 ( 10.492 -0.000 -8.705) 13.633 2.611 ( 10.492 -0.000 8.705) 13.633 3.699 ( 15.575 -0.000 -3.101) 15.880 3.699 ( 15.575 -0.000 3.101) 15.880 4.305 ( -15.873 0.000 -0.793) 15.893 4.305 ( -15.873 0.000 0.793) 15.893 4.975 ( 17.596 -0.000 -11.478) 21.009 4.975 ( 17.596 -0.000 11.478) 21.009 5.917 ( -3.297 0.000 -11.475) 11.939 5.917 ( -3.297 0.000 11.475) 11.939 6.524 ( 12.303 -0.000 -4.345) 13.048 6.524 ( 12.303 -0.000 4.345) 13.048 6.786 ( -4.326 0.000 -8.690) 9.707 6.786 ( -4.326 0.000 8.690) 9.707 8.670 ( -14.033 0.000 -4.091) 14.617 8.670 ( -14.033 0.000 4.091) 14.617 10.166 ( -1.827 0.000 -8.867) 9.053 10.166 ( -1.827 0.000 8.867) 9.053 10.495 ( -4.953 0.000 -2.444) 5.523 10.495 ( -4.953 0.000 2.444) 5.523 11.286 ( 4.855 -0.000 -7.656) 9.066 11.286 ( 4.855 -0.000 7.656) 9.066 11.795 ( 3.634 -0.000 -0.343) 3.650 11.795 ( 3.634 -0.000 0.343) 3.650 14.059 ( -4.565 0.000 -4.459) 6.381 14.059 ( -4.565 0.000 4.459) 6.381 22.279 ( 0.408 -0.000 -2.279) 2.316 22.279 ( 0.408 -0.000 2.279) 2.316 23.068 ( 11.395 -0.000 -9.771) 15.011 23.068 ( 11.395 -0.000 9.771) 15.011 25.351 ( 6.942 -0.000 -0.847) 6.994 25.351 ( 6.942 -0.000 0.847) 6.994 26.697 ( -6.912 0.000 -2.238) 7.265 26.697 ( -6.912 0.000 2.238) 7.265======================= Grid point 550 (162/180) =======================q-point: ( 0.27 0.18 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 303Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.565 ( 11.837 -2.739 -6.059) 13.576 2.565 ( 11.837 -2.739 6.059) 13.576 2.799 ( 11.374 -0.872 -1.684) 11.531 2.799 ( 11.374 -0.872 1.684) 11.531 3.862 ( 1.805 3.211 -6.767) 7.705 3.862 ( 1.805 3.211 6.767) 7.705 4.056 ( -8.516 0.479 -8.933) 12.352 4.056 ( -8.516 0.479 8.933) 12.352 5.214 ( 7.771 -2.481 -5.253) 9.702 5.214 ( 7.771 -2.481 5.253) 9.702 5.801 ( -7.734 1.178 -15.443) 17.312 5.801 ( -7.734 1.178 15.443) 17.312 6.661 ( 2.895 1.584 -3.910) 5.116 6.661 ( 2.895 1.584 3.910) 5.116 6.746 ( 0.730 0.600 -3.214) 3.350 6.746 ( 0.730 0.600 3.214) 3.350 8.494 ( -9.321 -3.970 -6.270) 11.914 8.494 ( -9.321 -3.970 6.270) 11.914 10.140 ( -0.114 2.043 -6.387) 6.707 10.140 ( -0.114 2.043 6.387) 6.707 10.421 ( -3.834 -0.354 -2.338) 4.504 10.421 ( -3.834 -0.354 2.338) 4.504 11.330 ( 1.521 1.481 -7.769) 8.054 11.330 ( 1.521 1.481 7.769) 8.054 11.860 ( 5.458 1.889 -2.638) 6.350 11.860 ( 5.458 1.889 2.638) 6.350 14.026 ( -1.403 -2.697 -6.418) 7.102 14.026 ( -1.403 -2.697 6.418) 7.102 22.242 ( -4.087 -0.005 -1.796) 4.464 22.242 ( -4.087 -0.005 1.796) 4.464 23.230 ( 7.881 0.678 -11.063) 13.600 23.230 ( 7.881 0.678 11.063) 13.600 25.488 ( 8.446 -0.822 -3.154) 9.053 25.488 ( 8.446 -0.822 3.154) 9.053 26.589 ( -5.784 0.097 -2.621) 6.350 26.589 ( -5.784 0.097 2.621) 6.350======================= Grid point 552 (163/180) =======================q-point: ( 0.36 0.18 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 303Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.755 ( 5.922 -3.454 -8.838) 11.186 2.755 ( 5.922 -3.454 8.838) 11.186 2.990 ( 9.786 0.432 -3.230) 10.314 2.990 ( 9.786 0.432 3.230) 10.314 3.695 ( -8.139 4.498 -10.784) 14.240 3.695 ( -8.139 4.498 10.784) 14.240 4.041 ( 1.333 1.150 -10.212) 10.363 4.041 ( 1.333 1.150 10.212) 10.363 5.247 ( -6.565 -2.005 -4.651) 8.291 5.247 ( -6.565 -2.005 4.651) 8.291 5.700 ( -3.589 -1.035 -13.138) 13.659 5.700 ( -3.589 -1.035 13.138) 13.659 6.580 ( -8.825 2.381 -3.053) 9.637 6.580 ( -8.825 2.381 3.053) 9.637 6.776 ( 2.848 1.181 -5.415) 6.231 6.776 ( 2.848 1.181 5.415) 6.231 8.454 ( -4.383 -8.687 -9.040) 13.282 8.454 ( -4.383 -8.687 9.040) 13.282 10.116 ( 1.071 3.481 -4.191) 5.553 10.116 ( 1.071 3.481 4.191) 5.553 10.379 ( -1.956 -0.520 -2.352) 3.103 10.379 ( -1.956 -0.520 2.352) 3.103 11.314 ( -0.133 2.749 -7.906) 8.371 11.314 ( -0.133 2.749 7.906) 8.371 11.927 ( 6.098 3.739 -4.603) 8.506 11.927 ( 6.098 3.739 4.603) 8.506 14.064 ( 1.092 -4.225 -8.881) 9.895 14.064 ( 1.092 -4.225 8.881) 9.895 22.160 ( -6.217 -1.055 -2.773) 6.888 22.160 ( -6.217 -1.055 2.773) 6.888 23.309 ( 3.797 2.164 -9.189) 10.175 23.309 ( 3.797 2.164 9.189) 10.175 25.629 ( 8.145 0.880 -4.859) 9.525 25.629 ( 8.145 0.880 4.859) 9.525 26.511 ( -4.102 -1.152 -3.629) 5.597 26.511 ( -4.102 -1.152 3.629) 5.597======================= Grid point 554 (164/180) =======================q-point: (-0.55 0.18 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 303Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.812 ( -3.293 -1.393 -5.828) 6.837 2.812 ( -3.293 -1.393 5.828) 6.837 3.031 ( -0.053 7.163 -2.958) 7.750 3.031 ( -0.053 7.163 2.958) 7.750 3.599 ( -0.379 2.788 -8.740) 9.182 3.599 ( -0.379 2.788 8.740) 9.182 4.062 ( 4.236 -0.693 -9.075) 10.039 4.062 ( 4.236 -0.693 9.075) 10.039 5.106 ( -13.022 -4.582 -12.406) 18.560 5.106 ( -13.022 -4.582 12.406) 18.560 5.665 ( -2.726 0.249 -12.143) 12.448 5.665 ( -2.726 0.249 12.143) 12.448 6.345 ( -16.446 0.335 -1.858) 16.554 6.345 ( -16.446 0.335 1.858) 16.554 6.797 ( 1.480 1.838 -11.315) 11.559 6.797 ( 1.480 1.838 11.315) 11.559 8.522 ( -1.739 -11.993 -11.714) 16.855 8.522 ( -1.739 -11.993 11.714) 16.855 10.107 ( 2.600 3.221 -2.537) 4.856 10.107 ( 2.600 3.221 2.537) 4.856 10.363 ( -0.497 -0.246 -1.639) 1.730 10.363 ( -0.497 -0.246 1.639) 1.730 11.276 ( -0.209 3.242 -8.051) 8.681 11.276 ( -0.209 3.242 8.051) 8.681 11.970 ( 5.092 5.679 -5.629) 9.480 11.970 ( 5.092 5.679 5.629) 9.480 14.150 ( 3.064 -4.672 -10.382) 11.790 14.150 ( 3.064 -4.672 10.382) 11.790 22.062 ( -7.707 -1.952 -3.139) 8.548 22.062 ( -7.707 -1.952 3.139) 8.548 23.316 ( 0.929 3.382 -6.622) 7.493 23.316 ( 0.929 3.382 6.622) 7.493 25.726 ( 6.575 4.102 -5.726) 9.636 25.726 ( 6.575 4.102 5.726) 9.636 26.482 ( -2.160 -3.011 -4.691) 5.978 26.482 ( -2.160 -3.011 4.691) 5.978======================= Grid point 556 (165/180) =======================q-point: (-0.45 0.18 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 303Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.656 ( -12.615 4.132 -0.449) 13.282 2.656 ( -12.615 4.132 0.449) 13.282 2.906 ( -3.372 8.774 -6.239) 11.282 2.906 ( -3.372 8.774 6.239) 11.282 3.521 ( -2.461 6.521 -0.670) 7.002 3.521 ( -2.461 6.521 0.670) 7.002 4.228 ( 9.750 -3.761 -12.686) 16.436 4.228 ( 9.750 -3.761 12.686) 16.436 4.939 ( -14.192 -6.017 -15.949) 22.181 4.939 ( -14.192 -6.017 15.949) 22.181 5.586 ( -5.604 1.239 -11.086) 12.484 5.586 ( -5.604 1.239 11.086) 12.484 6.072 ( -16.632 -2.735 -5.030) 17.590 6.072 ( -16.632 -2.735 5.030) 17.590 6.789 ( -0.150 0.869 -14.540) 14.566 6.789 ( -0.150 0.869 14.540) 14.566 8.651 ( -0.143 -13.682 -13.692) 19.357 8.651 ( -0.143 -13.682 13.692) 19.357 10.130 ( 3.069 1.403 -2.785) 4.376 10.130 ( 3.069 1.403 2.785) 4.376 10.369 ( 1.027 -0.153 -2.804) 2.990 10.369 ( 1.027 -0.153 2.804) 2.990 11.238 ( 0.064 3.502 -8.014) 8.746 11.238 ( 0.064 3.502 8.014) 8.746 11.965 ( 3.098 7.321 -5.821) 9.852 11.965 ( 3.098 7.321 5.821) 9.852 14.265 ( 4.579 -4.434 -10.424) 12.219 14.265 ( 4.579 -4.434 10.424) 12.219 21.945 ( -9.139 -1.994 -4.181) 10.246 21.945 ( -9.139 -1.994 4.181) 10.246 23.273 ( -0.558 4.452 -4.540) 6.383 23.273 ( -0.558 4.452 4.540) 6.383 25.752 ( 4.480 7.600 -6.156) 10.758 25.752 ( 4.480 7.600 6.156) 10.758 26.506 ( -0.245 -4.965 -5.528) 7.435 26.506 ( -0.245 -4.965 5.528) 7.435======================= Grid point 558 (166/180) =======================q-point: (-0.36 0.18 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 303Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.359 ( -15.376 5.370 -5.249) 17.112 2.359 ( -15.376 5.370 5.249) 17.112 2.724 ( -5.430 10.139 -10.108) 15.313 2.724 ( -5.430 10.139 10.108) 15.313 3.416 ( 1.568 10.161 -6.973) 12.422 3.416 ( 1.568 10.161 6.973) 12.422 4.301 ( -7.711 1.273 -7.058) 10.530 4.301 ( -7.711 1.273 7.058) 10.530 4.823 ( -2.554 -3.184 -16.694) 17.185 4.823 ( -2.554 -3.184 16.694) 17.185 5.440 ( -13.662 -2.062 -8.641) 16.296 5.440 ( -13.662 -2.062 8.641) 16.296 5.927 ( -5.022 -6.655 -12.876) 15.340 5.927 ( -5.022 -6.655 12.876) 15.340 6.793 ( 0.127 -2.155 -16.680) 16.819 6.793 ( 0.127 -2.155 16.680) 16.819 8.817 ( 1.387 -14.294 -14.278) 20.251 8.817 ( 1.387 -14.294 14.278) 20.251 10.169 ( 1.497 -1.301 -2.495) 3.187 10.169 ( 1.497 -1.301 2.495) 3.187 10.401 ( 2.465 -0.134 -2.747) 3.693 10.401 ( 2.465 -0.134 2.747) 3.693 11.197 ( -0.017 4.155 -7.688) 8.739 11.197 ( -0.017 4.155 7.688) 8.739 11.915 ( 1.258 7.853 -5.301) 9.558 11.915 ( 1.258 7.853 5.301) 9.558 14.394 ( 5.225 -3.820 -8.997) 11.083 14.394 ( 5.225 -3.820 8.997) 11.083 21.802 ( -9.930 -0.800 -5.529) 11.394 21.802 ( -9.930 -0.800 5.529) 11.394 23.204 ( -0.835 5.672 -3.906) 6.937 23.204 ( -0.835 5.672 3.906) 6.937 25.707 ( 2.358 10.631 -6.635) 12.752 25.707 ( 2.358 10.631 6.635) 12.752 26.582 ( 1.216 -7.002 -6.149) 9.398 26.582 ( 1.216 -7.002 6.149) 9.398======================= Grid point 560 (167/180) =======================q-point: (-0.27 0.18 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 303Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.080 ( -11.096 2.928 -11.164) 16.010 2.080 ( -11.096 2.928 11.164) 16.010 2.523 ( -3.382 12.186 -13.347) 18.387 2.523 ( -3.382 12.186 13.347) 18.387 3.349 ( 5.608 13.174 -10.250) 17.609 3.349 ( 5.608 13.174 10.250) 17.609 3.988 ( -17.989 8.793 -7.867) 21.513 3.988 ( -17.989 8.793 7.867) 21.513 4.897 ( 3.939 -3.350 -18.348) 19.062 4.897 ( 3.939 -3.350 18.348) 19.062 5.214 ( -12.800 -0.601 -8.693) 15.485 5.214 ( -12.800 -0.601 8.693) 15.485 6.026 ( 1.841 -11.756 -19.831) 23.128 6.026 ( 1.841 -11.756 19.831) 23.128 6.840 ( 0.622 -4.708 -18.425) 19.027 6.840 ( 0.622 -4.708 18.425) 19.027 9.014 ( 2.467 -15.095 -13.083) 20.127 9.014 ( 2.467 -15.095 13.083) 20.127 10.207 ( -0.093 -3.527 -4.774) 5.936 10.207 ( -0.093 -3.527 4.774) 5.936 10.439 ( 1.676 0.188 -0.483) 1.754 10.439 ( 1.676 0.188 0.483) 1.754 11.144 ( -0.142 5.002 -6.904) 8.527 11.144 ( -0.142 5.002 6.904) 8.527 11.844 ( 0.348 6.731 -4.346) 8.019 11.844 ( 0.348 6.731 4.346) 8.019 14.512 ( 4.038 -2.856 -6.369) 8.064 14.512 ( 4.038 -2.856 6.369) 8.064 21.646 ( -7.765 1.240 -6.085) 9.943 21.646 ( -7.765 1.240 6.085) 9.943 23.122 ( -0.480 7.152 -4.433) 8.428 23.122 ( -0.480 7.152 4.433) 8.428 25.602 ( 0.726 12.307 -7.020) 14.187 25.602 ( 0.726 12.307 7.020) 14.187 26.694 ( 1.482 -8.662 -6.584) 10.981 26.694 ( 1.482 -8.662 6.584) 10.981======================= Grid point 562 (168/180) =======================q-point: (-0.18 0.18 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.963 ( 0.000 1.317 -15.214) 15.271 1.963 ( 0.000 1.317 15.214) 15.271 2.356 ( 0.000 11.884 -16.493) 20.329 2.356 ( 0.000 11.884 16.493) 20.329 3.258 ( 0.000 15.329 -12.944) 20.063 3.258 ( 0.000 15.329 12.944) 20.063 3.688 ( 0.000 9.863 -9.377) 13.609 3.688 ( 0.000 9.863 9.377) 13.609 4.979 ( -0.000 -4.179 -18.292) 18.763 4.979 ( -0.000 -4.179 18.292) 18.763 5.096 ( 0.000 0.479 -7.433) 7.448 5.096 ( 0.000 0.479 7.433) 7.448 6.178 ( -0.000 -11.054 -21.927) 24.556 6.178 ( -0.000 -11.054 21.927) 24.556 6.905 ( -0.000 -5.364 -19.127) 19.865 6.905 ( -0.000 -5.364 19.127) 19.865 9.214 ( -0.000 -15.285 -10.299) 18.431 9.214 ( -0.000 -15.285 10.299) 18.431 10.248 ( -0.000 -4.120 -8.384) 9.342 10.248 ( -0.000 -4.120 8.384) 9.342 10.449 ( -0.000 -0.240 -4.222) 4.229 10.449 ( -0.000 -0.240 4.222) 4.229 11.084 ( 0.000 5.284 -5.875) 7.901 11.084 ( 0.000 5.284 5.875) 7.901 11.784 ( 0.000 4.541 -3.499) 5.733 11.784 ( 0.000 4.541 3.499) 5.733 14.572 ( -0.000 -1.065 -3.535) 3.692 14.572 ( -0.000 -1.065 3.535) 3.692 21.552 ( 0.000 2.314 -5.715) 6.166 21.552 ( 0.000 2.314 5.715) 6.166 23.031 ( 0.000 8.456 -5.051) 9.850 23.031 ( 0.000 8.456 5.051) 9.850 25.470 ( 0.000 11.948 -6.763) 13.729 25.470 ( 0.000 11.948 6.763) 13.729 26.809 ( -0.000 -9.037 -6.760) 11.286 26.809 ( -0.000 -9.037 6.760) 11.286======================= Grid point 572 (169/180) =======================q-point: ( 0.27 0.27 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.711 ( 6.924 -0.000 -9.210) 11.523 2.711 ( 6.924 -0.000 9.210) 11.523 2.993 ( 11.720 -0.000 -2.339) 11.951 2.993 ( 11.720 -0.000 2.339) 11.951 3.755 ( -9.460 0.000 -9.496) 13.403 3.755 ( -9.460 0.000 9.496) 13.403 4.055 ( 1.720 -0.000 -9.512) 9.666 4.055 ( 1.720 -0.000 9.512) 9.666 5.223 ( -5.833 0.000 -0.168) 5.836 5.223 ( -5.833 0.000 0.168) 5.836 5.685 ( -5.030 0.000 -15.820) 16.601 5.685 ( -5.030 0.000 15.820) 16.601 6.613 ( -9.348 0.000 -3.374) 9.939 6.613 ( -9.348 0.000 3.374) 9.939 6.789 ( 3.046 -0.000 -5.684) 6.449 6.789 ( 3.047 -0.000 5.684) 6.449 8.349 ( -5.214 0.000 -6.836) 8.597 8.349 ( -5.214 0.000 6.836) 8.597 10.151 ( -0.218 0.000 -2.546) 2.555 10.151 ( -0.218 0.000 2.546) 2.555 10.377 ( -0.986 0.000 -3.935) 4.056 10.377 ( -0.986 0.000 3.935) 4.056 11.346 ( -0.288 0.000 -7.976) 7.981 11.346 ( -0.288 0.000 7.976) 7.981 11.977 ( 6.947 -0.000 -1.652) 7.141 11.977 ( 6.947 -0.000 1.652) 7.141 14.010 ( 1.093 -0.000 -4.905) 5.025 14.010 ( 1.093 -0.000 4.905) 5.025 22.148 ( -6.639 0.000 -2.290) 7.023 22.148 ( -6.639 0.000 2.290) 7.023 23.335 ( 4.149 -0.000 -10.066) 10.888 23.335 ( 4.149 -0.000 10.066) 10.888 25.640 ( 9.818 -0.000 -5.387) 11.199 25.640 ( 9.818 -0.000 5.387) 11.199 26.497 ( -5.047 0.000 -3.101) 5.923 26.497 ( -5.047 0.000 3.101) 5.923======================= Grid point 574 (170/180) =======================q-point: ( 0.36 0.27 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 303Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.771 ( -1.402 -1.415 -7.405) 7.669 2.771 ( -1.402 -1.415 7.405) 7.669 3.135 ( 5.160 2.212 -1.889) 5.924 3.135 ( 5.160 2.212 1.889) 5.924 3.668 ( 1.137 2.337 -7.572) 8.006 3.668 ( 1.137 2.337 7.572) 8.006 4.054 ( -0.314 -0.177 -3.900) 3.917 4.054 ( -0.314 -0.177 3.900) 3.917 5.040 ( -15.252 -1.332 -5.155) 16.154 5.040 ( -15.252 -1.332 5.155) 16.154 5.653 ( -0.623 -0.795 -13.064) 13.103 5.653 ( -0.623 -0.795 13.064) 13.103 6.369 ( -18.259 1.068 -2.378) 18.444 6.369 ( -18.259 1.068 2.378) 18.444 6.826 ( 1.394 0.656 -11.463) 11.567 6.826 ( 1.394 0.656 11.463) 11.567 8.315 ( -2.909 -5.354 -9.605) 11.374 8.315 ( -2.909 -5.354 9.605) 11.374 10.137 ( -0.972 0.130 -0.709) 1.210 10.137 ( -0.972 0.130 0.709) 1.210 10.384 ( 2.124 1.091 -5.685) 6.166 10.384 ( 2.124 1.091 5.685) 6.166 11.330 ( -0.462 1.326 -8.309) 8.427 11.330 ( -0.462 1.326 8.309) 8.427 12.077 ( 6.823 3.081 -3.357) 8.205 12.077 ( 6.823 3.081 3.357) 8.205 14.057 ( 2.611 -2.701 -5.735) 6.856 14.057 ( 2.611 -2.701 5.735) 6.856 22.033 ( -7.552 -0.656 -1.524) 7.732 22.033 ( -7.552 -0.656 1.524) 7.732 23.369 ( 1.009 1.282 -7.561) 7.735 23.369 ( 1.009 1.282 7.561) 7.735 25.793 ( 9.283 1.705 -6.736) 11.596 25.793 ( 9.283 1.705 6.736) 11.596 26.430 ( -3.683 -1.358 -4.245) 5.782 26.430 ( -3.683 -1.358 4.245) 5.782======================= Grid point 576 (171/180) =======================q-point: (-0.55 0.27 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 303Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.679 ( -11.372 -0.768 -3.806) 12.017 2.679 ( -11.372 -0.768 3.806) 12.017 3.106 ( -0.853 7.772 -3.434) 8.539 3.106 ( -0.853 7.772 3.434) 8.539 3.670 ( 2.661 6.096 -2.252) 7.022 3.670 ( 2.661 6.096 2.252) 7.022 4.138 ( 8.198 -4.360 -13.295) 16.216 4.138 ( 8.198 -4.360 13.295) 16.216 4.803 ( -16.127 -4.589 -11.193) 20.160 4.803 ( -16.127 -4.589 11.193) 20.160 5.628 ( -3.855 1.417 -8.925) 9.824 5.628 ( -3.855 1.417 8.925) 9.824 6.039 ( -18.731 -0.285 -4.328) 19.226 6.039 ( -18.731 -0.285 4.328) 19.226 6.813 ( -1.678 1.006 -14.086) 14.221 6.813 ( -1.678 1.006 14.086) 14.221 8.363 ( -2.053 -10.547 -12.576) 16.541 8.363 ( -2.053 -10.547 12.576) 16.541 10.125 ( -1.161 -1.179 -2.110) 2.681 10.125 ( -1.161 -1.179 2.110) 2.681 10.414 ( 3.978 2.772 -6.337) 7.979 10.414 ( 3.978 2.772 6.337) 7.979 11.306 ( 0.116 2.342 -8.452) 8.771 11.306 ( 0.116 2.342 8.452) 8.771 12.126 ( 5.172 6.324 -4.882) 9.517 12.126 ( 5.172 6.324 4.882) 9.517 14.151 ( 3.463 -4.891 -7.381) 9.508 14.151 ( 3.463 -4.891 7.381) 9.508 21.914 ( -7.754 -0.843 -2.333) 8.141 21.914 ( -7.754 -0.843 2.333) 8.141 23.349 ( -0.732 2.317 -4.672) 5.266 23.349 ( -0.732 2.317 4.672) 5.266 25.895 ( 7.274 4.960 -7.182) 11.362 25.895 ( 7.274 4.960 7.182) 11.362 26.410 ( -1.900 -3.460 -5.286) 6.597 26.410 ( -1.900 -3.460 5.286) 6.597======================= Grid point 578 (172/180) =======================q-point: (-0.45 0.27 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 303Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.424 ( -17.940 0.982 -2.548) 18.146 2.424 ( -17.940 0.982 2.548) 18.146 2.973 ( -1.449 11.486 -6.490) 13.272 2.973 ( -1.449 11.486 6.490) 13.272 3.638 ( 4.451 8.998 -5.848) 11.617 3.638 ( 4.451 8.998 5.848) 11.617 4.304 ( 1.498 -0.937 -12.082) 12.211 4.304 ( 1.498 -0.937 12.082) 12.211 4.665 ( -6.345 -9.685 -18.238) 21.603 4.665 ( -6.345 -9.685 18.238) 21.603 5.445 ( -14.595 1.975 -4.919) 15.528 5.445 ( -14.595 1.975 4.919) 15.528 5.835 ( -6.927 -1.753 -12.557) 14.447 5.835 ( -6.927 -1.753 12.557) 14.447 6.767 ( -2.627 -0.293 -15.368) 15.594 6.767 ( -2.627 -0.293 15.368) 15.594 8.478 ( -1.095 -14.687 -14.419) 20.610 8.478 ( -1.095 -14.687 14.419) 20.610 10.123 ( -1.492 -2.404 -2.452) 3.744 10.123 ( -1.492 -2.404 2.452) 3.744 10.453 ( 4.782 3.467 -5.944) 8.380 10.453 ( 4.782 3.467 5.944) 8.380 11.281 ( 0.436 3.193 -8.258) 8.864 11.281 ( 0.436 3.193 8.258) 8.864 12.107 ( 2.830 8.825 -5.619) 10.838 12.107 ( 2.830 8.825 5.619) 10.838 14.274 ( 3.646 -6.265 -8.152) 10.909 14.274 ( 3.646 -6.265 8.152) 10.909 21.794 ( -7.315 -0.032 -4.609) 8.646 21.794 ( -7.315 -0.032 4.609) 8.646 23.302 ( -1.089 3.148 -2.292) 4.044 23.302 ( -1.089 3.148 2.292) 4.044 25.920 ( 4.612 8.252 -7.214) 11.892 25.920 ( 4.612 8.252 7.214) 11.892 26.442 ( -0.345 -5.427 -5.880) 8.009 26.442 ( -0.345 -5.427 5.880) 8.009======================= Grid point 580 (173/180) =======================q-point: (-0.36 0.27 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 303Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.127 ( -14.041 1.371 -7.412) 15.936 2.127 ( -14.041 1.371 7.412) 15.936 2.816 ( -0.515 13.742 -8.548) 16.192 2.816 ( -0.515 13.742 8.548) 16.192 3.625 ( 7.025 10.816 -8.569) 15.485 3.625 ( 7.025 10.816 8.569) 15.485 4.150 ( -12.243 5.722 -6.997) 15.219 4.150 ( -12.243 5.722 6.997) 15.219 4.787 ( 3.706 -7.839 -18.470) 20.404 4.787 ( 3.706 -7.839 18.470) 20.404 5.199 ( -11.918 -0.401 -7.421) 14.045 5.199 ( -11.918 -0.401 7.421) 14.045 5.815 ( -0.832 -5.629 -16.077) 17.055 5.815 ( -0.832 -5.629 16.077) 17.055 6.752 ( -1.204 -2.963 -16.915) 17.214 6.752 ( -1.204 -2.963 16.915) 17.214 8.647 ( -0.126 -17.068 -14.875) 22.641 8.647 ( -0.126 -17.068 14.875) 22.641 10.130 ( -1.242 -3.213 -3.843) 5.160 10.130 ( -1.242 -3.213 3.843) 5.160 10.486 ( 3.454 3.305 -4.019) 6.245 10.486 ( 3.454 3.305 4.019) 6.245 11.247 ( 0.260 4.069 -7.867) 8.861 11.247 ( 0.260 4.069 7.867) 8.861 12.032 ( 0.918 9.732 -5.583) 11.257 12.032 ( 0.918 9.732 5.583) 11.257 14.401 ( 2.679 -6.622 -7.829) 10.598 14.401 ( 2.679 -6.622 7.829) 10.598 21.679 ( -5.209 1.513 -6.202) 8.239 21.679 ( -5.209 1.513 6.202) 8.239 23.247 ( -0.595 4.138 -2.058) 4.660 23.247 ( -0.595 4.138 2.058) 4.660 25.867 ( 1.989 10.981 -7.466) 13.426 25.867 ( 1.989 10.981 7.466) 13.426 26.514 ( 0.388 -7.242 -6.308) 9.612 26.514 ( 0.388 -7.242 6.308) 9.612======================= Grid point 582 (174/180) =======================q-point: (-0.27 0.27 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.990 ( 0.000 1.053 -11.086) 11.136 1.990 ( 0.000 1.053 11.086) 11.136 2.653 ( 0.000 14.360 -10.848) 17.997 2.653 ( 0.000 14.360 10.848) 17.997 3.583 ( 0.000 12.760 -9.308) 15.794 3.583 ( 0.000 12.760 9.308) 15.794 3.914 ( 0.000 9.904 -9.644) 13.824 3.914 ( 0.000 9.904 9.644) 13.824 4.887 ( -0.000 -4.647 -19.865) 20.401 4.887 ( -0.000 -4.647 19.865) 20.401 5.099 ( -0.000 -0.324 -7.837) 7.843 5.099 ( -0.000 -0.324 7.837) 7.843 5.911 ( -0.000 -11.040 -18.755) 21.763 5.911 ( -0.000 -11.040 18.755) 21.763 6.788 ( -0.000 -4.720 -18.304) 18.903 6.788 ( -0.000 -4.720 18.304) 18.903 8.843 ( -0.000 -17.719 -14.171) 22.689 8.843 ( -0.000 -17.719 14.171) 22.689 10.158 ( -0.000 -3.772 -5.813) 6.929 10.158 ( -0.000 -3.772 5.813) 6.929 10.482 ( 0.000 2.865 -1.087) 3.065 10.482 ( 0.000 2.865 1.087) 3.065 11.199 ( 0.000 4.804 -7.321) 8.756 11.199 ( 0.000 4.804 7.321) 8.756 11.934 ( 0.000 8.770 -4.988) 10.089 11.934 ( 0.000 8.770 4.988) 10.089 14.495 ( -0.000 -5.632 -6.907) 8.912 14.495 ( -0.000 -5.632 6.907) 8.912 21.607 ( 0.000 2.512 -6.434) 6.907 21.607 ( 0.000 2.512 6.434) 6.907 23.189 ( 0.000 5.571 -3.116) 6.384 23.189 ( 0.000 5.571 3.116) 6.384 25.750 ( 0.000 12.549 -7.625) 14.683 25.750 ( 0.000 12.549 7.625) 14.683 26.608 ( -0.000 -8.592 -6.618) 10.846 26.608 ( -0.000 -8.592 6.618) 10.846======================= Grid point 596 (175/180) =======================q-point: ( 0.36 -0.64 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.665 ( -10.542 0.000 -4.378) 11.414 2.665 ( -10.542 0.000 4.378) 11.414 3.200 ( 1.238 -0.000 -2.235) 2.555 3.200 ( 1.238 -0.000 2.235) 2.555 3.752 ( 4.976 -0.000 -0.838) 5.046 3.752 ( 4.976 -0.000 0.838) 5.046 4.071 ( 4.789 -0.000 -16.332) 17.020 4.071 ( 4.789 -0.000 16.332) 17.020 4.755 ( -17.030 0.000 -4.997) 17.748 4.755 ( -17.030 0.000 4.997) 17.748 5.641 ( -2.038 0.000 -8.570) 8.808 5.641 ( -2.038 0.000 8.570) 8.808 6.041 ( -19.802 0.000 -3.951) 20.193 6.041 ( -19.802 0.000 3.951) 20.193 6.825 ( -2.054 0.000 -14.097) 14.246 6.825 ( -2.054 0.000 14.097) 14.246 8.238 ( -2.692 0.000 -12.267) 12.559 8.238 ( -2.692 0.000 12.267) 12.559 10.108 ( -1.971 0.000 -1.742) 2.631 10.108 ( -1.971 0.000 1.742) 2.631 10.449 ( 4.277 -0.000 -7.350) 8.504 10.449 ( 4.277 -0.000 7.350) 8.504 11.333 ( 0.027 -0.000 -8.677) 8.677 11.333 ( 0.027 -0.000 8.677) 8.677 12.204 ( 5.995 -0.000 -2.805) 6.618 12.204 ( 5.995 -0.000 2.805) 6.618 14.089 ( 3.036 -0.000 -3.380) 4.543 14.089 ( 3.036 -0.000 3.380) 4.543 21.905 ( -7.233 0.000 -1.268) 7.343 21.905 ( -7.233 0.000 1.268) 7.343 23.375 ( -0.935 0.000 -5.042) 5.128 23.375 ( -0.935 0.000 5.042) 5.128 25.955 ( 8.517 -0.000 -7.779) 11.535 25.955 ( 8.517 -0.000 7.779) 11.535 26.368 ( -2.671 0.000 -5.308) 5.942 26.368 ( -2.671 0.000 5.308) 5.942======================= Grid point 600 (176/180) =======================q-point: (-0.55 0.36 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 303Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.428 ( -17.354 -0.163 -0.923) 17.380 2.428 ( -17.354 -0.163 0.923) 17.380 3.182 ( 0.747 5.834 -3.715) 6.956 3.182 ( 0.747 5.834 3.715) 6.956 3.794 ( 4.148 4.563 -3.772) 7.229 3.794 ( 4.148 4.563 3.772) 7.229 4.238 ( 9.829 -4.327 -18.141) 21.082 4.238 ( 9.829 -4.327 18.141) 21.082 4.507 ( -13.591 -2.988 -8.802) 16.466 4.507 ( -13.591 -2.988 8.802) 16.466 5.482 ( -16.939 0.846 -3.148) 17.250 5.482 ( -16.939 0.846 3.148) 17.250 5.830 ( -4.330 0.543 -13.027) 13.738 5.830 ( -4.330 0.543 13.027) 13.738 6.768 ( -4.130 0.124 -14.594) 15.168 6.768 ( -4.130 0.124 14.594) 15.168 8.231 ( -2.220 -6.298 -14.752) 16.193 8.231 ( -2.220 -6.298 14.752) 16.193 10.081 ( -1.859 -1.060 -2.166) 3.045 10.081 ( -1.859 -1.060 2.166) 3.045 10.513 ( 4.382 1.542 -7.854) 9.125 10.513 ( 4.382 1.542 7.854) 9.125 11.331 ( 0.404 1.178 -8.725) 8.814 11.331 ( 0.404 1.178 8.725) 8.814 12.265 ( 4.068 4.305 -3.633) 6.949 12.265 ( 4.068 4.305 3.633) 6.949 14.156 ( 2.757 -3.314 -4.158) 5.990 14.156 ( 2.757 -3.314 4.158) 5.990 21.795 ( -5.966 0.070 -4.236) 7.317 21.795 ( -5.966 0.070 4.236) 7.317 23.347 ( -1.496 0.981 -2.400) 2.993 23.347 ( -1.496 0.981 2.400) 2.993 26.058 ( 6.073 3.679 -7.912) 10.631 26.058 ( 6.073 3.679 7.912) 10.631 26.349 ( -1.274 -2.611 -6.068) 6.727 26.349 ( -1.274 -2.611 6.068) 6.727======================= Grid point 602 (177/180) =======================q-point: (-0.45 0.36 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 303Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.145 ( -14.471 0.372 -4.814) 15.255 2.145 ( -14.471 0.372 4.814) 15.255 3.103 ( 1.090 11.025 -5.090) 12.192 3.103 ( 1.090 11.025 5.090) 12.192 3.811 ( 4.990 6.017 -8.419) 11.489 3.811 ( 4.990 6.017 8.419) 11.489 4.251 ( -7.298 3.470 -6.838) 10.586 4.251 ( -7.298 3.470 6.838) 10.586 4.548 ( 5.113 -11.998 -19.343) 23.329 4.548 ( 5.113 -11.998 19.343) 23.329 5.195 ( -14.089 -0.214 -6.998) 15.733 5.195 ( -14.089 -0.214 6.998) 15.733 5.788 ( -0.587 1.915 -15.279) 15.410 5.788 ( -0.587 1.915 15.279) 15.410 6.709 ( -2.882 -1.011 -14.779) 15.091 6.709 ( -2.882 -1.011 14.779) 15.091 8.307 ( -1.052 -12.143 -15.907) 20.039 8.307 ( -1.052 -12.143 15.907) 20.039 10.072 ( -1.265 -1.924 -2.784) 3.613 10.072 ( -1.265 -1.924 2.784) 3.613 10.555 ( 3.014 2.362 -7.527) 8.445 10.555 ( 3.014 2.362 7.527) 8.445 11.318 ( 0.326 2.254 -8.512) 8.812 11.318 ( 0.326 2.254 8.512) 8.812 12.243 ( 1.778 8.170 -4.843) 9.662 12.243 ( 1.778 8.170 4.843) 9.662 14.249 ( 1.832 -6.132 -5.838) 8.662 14.249 ( 1.832 -6.132 5.838) 8.662 21.708 ( -3.742 0.988 -6.463) 7.534 21.708 ( -3.742 0.988 6.463) 7.534 23.311 ( -0.925 1.732 -0.613) 2.057 23.311 ( -0.925 1.732 0.613) 2.057 26.072 ( 2.876 7.109 -7.368) 10.635 26.072 ( 2.876 7.109 7.368) 10.635 26.380 ( -0.202 -4.779 -6.011) 7.682 26.380 ( -0.202 -4.779 6.011) 7.682======================= Grid point 604 (178/180) =======================q-point: (-0.36 0.36 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.009 ( 0.000 0.620 -7.758) 7.783 2.009 ( 0.000 0.620 7.758) 7.783 2.973 ( 0.000 13.775 -6.473) 15.221 2.973 ( 0.000 13.775 6.473) 15.221 3.799 ( 0.000 6.782 -8.593) 10.947 3.799 ( 0.000 6.782 8.593) 10.947 4.107 ( 0.000 7.156 -8.148) 10.844 4.107 ( 0.000 7.156 8.148) 10.844 4.726 ( -0.000 -10.296 -18.372) 21.061 4.726 ( -0.000 -10.296 18.372) 21.061 5.080 ( -0.000 -1.233 -8.461) 8.551 5.080 ( -0.000 -1.233 8.461) 8.551 5.772 ( -0.000 -0.799 -15.821) 15.841 5.772 ( -0.000 -0.799 15.821) 15.841 6.706 ( -0.000 -2.570 -15.932) 16.138 6.706 ( -0.000 -2.570 15.932) 16.138 8.457 ( -0.000 -15.945 -15.782) 22.434 8.457 ( -0.000 -15.945 15.782) 22.434 10.086 ( -0.000 -2.641 -3.883) 4.696 10.086 ( -0.000 -2.641 3.883) 4.696 10.552 ( 0.000 2.945 -6.128) 6.799 10.552 ( 0.000 2.945 6.128) 6.799 11.290 ( 0.000 3.266 -8.232) 8.856 11.290 ( 0.000 3.266 8.232) 8.856 12.153 ( 0.000 10.111 -5.549) 11.534 12.153 ( 0.000 10.111 5.549) 11.534 14.343 ( -0.000 -7.416 -6.960) 10.171 14.343 ( -0.000 -7.416 6.960) 10.171 21.658 ( 0.000 1.914 -7.076) 7.330 21.658 ( 0.000 1.914 7.076) 7.330 23.279 ( 0.000 2.689 -1.176) 2.935 23.279 ( 0.000 2.689 1.176) 2.935 26.001 ( 0.000 9.591 -7.422) 12.127 26.001 ( 0.000 9.591 7.422) 12.127 26.441 ( -0.000 -6.282 -6.131) 8.778 26.441 ( -0.000 -6.282 6.131) 8.778======================= Grid point 622 (179/180) =======================q-point: ( 0.45 -0.55 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.149 ( -14.311 0.000 -3.692) 14.779 2.149 ( -14.311 0.000 3.692) 14.779 3.241 ( 1.647 -0.000 -3.198) 3.597 3.241 ( 1.647 -0.000 3.198) 3.597 3.887 ( 3.638 -0.000 -7.737) 8.550 3.887 ( 3.638 -0.000 7.737) 8.550 4.303 ( -8.153 0.000 -3.919) 9.046 4.303 ( -8.153 0.000 3.919) 9.046 4.370 ( 8.041 -0.000 -20.189) 21.731 4.370 ( 8.041 -0.000 20.189) 21.731 5.191 ( -15.329 0.000 -6.947) 16.830 5.191 ( -15.329 0.000 6.947) 16.830 5.823 ( 0.610 -0.000 -15.014) 15.026 5.823 ( 0.610 -0.000 15.014) 15.026 6.699 ( -3.529 0.000 -13.871) 14.313 6.699 ( -3.529 0.000 13.871) 14.313 8.163 ( -1.441 0.000 -16.388) 16.451 8.163 ( -1.441 0.000 16.388) 16.451 10.050 ( -1.163 0.000 -2.378) 2.647 10.050 ( -1.163 0.000 2.378) 2.647 10.582 ( 2.671 -0.000 -8.591) 8.996 10.582 ( 2.671 -0.000 8.591) 8.996 11.344 ( 0.318 -0.000 -8.730) 8.736 11.344 ( 0.318 -0.000 8.730) 8.736 12.343 ( 2.179 -0.000 -2.638) 3.421 12.343 ( 2.179 -0.000 2.638) 3.421 14.173 ( 1.521 -0.000 -1.974) 2.492 14.173 ( 1.521 -0.000 1.974) 2.492 21.719 ( -3.263 0.000 -6.579) 7.344 21.719 ( -3.263 0.000 6.579) 7.344 23.329 ( -1.088 0.000 -0.554) 1.221 23.329 ( -1.088 0.000 0.554) 1.221 26.162 ( 3.426 -0.000 -8.379) 9.052 26.162 ( 3.426 -0.000 8.379) 9.052 26.316 ( -0.621 0.000 -6.979) 7.007 26.316 ( -0.621 0.000 6.979) 7.007======================= Grid point 626 (180/180) =======================q-point: (-0.45 0.45 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.98e-04 5.98e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.018 ( 0.000 0.199 -5.704) 5.707 2.018 ( 0.000 0.199 5.704) 5.707 3.218 ( 0.000 6.763 -3.634) 7.677 3.218 ( 0.000 6.763 3.634) 7.678 3.904 ( 0.000 2.883 -10.084) 10.488 3.904 ( 0.000 2.883 10.084) 10.488 4.219 ( 0.000 2.642 -4.687) 5.380 4.219 ( 0.000 2.642 4.687) 5.380 4.492 ( -0.000 -7.937 -19.457) 21.013 4.492 ( -0.000 -7.937 19.457) 21.013 5.055 ( -0.000 -0.778 -8.506) 8.542 5.055 ( -0.000 -0.778 8.506) 8.542 5.815 ( 0.000 2.444 -15.439) 15.631 5.815 ( 0.000 2.444 15.439) 15.631 6.671 ( -0.000 -0.687 -13.747) 13.764 6.671 ( -0.000 -0.687 13.747) 13.764 8.189 ( -0.000 -6.882 -16.753) 18.111 8.189 ( -0.000 -6.882 16.753) 18.111 10.045 ( -0.000 -0.955 -2.668) 2.833 10.045 ( -0.000 -0.955 2.668) 2.833 10.599 ( 0.000 1.086 -8.519) 8.588 10.599 ( 0.000 1.086 8.519) 8.588 11.340 ( 0.000 1.151 -8.630) 8.707 11.340 ( 0.000 1.151 8.630) 8.707 12.333 ( 0.000 4.896 -3.460) 5.995 12.333 ( 0.000 4.896 3.460) 5.995 14.207 ( -0.000 -3.750 -3.457) 5.100 14.207 ( -0.000 -3.750 3.457) 5.100 21.688 ( 0.000 0.712 -7.451) 7.485 21.688 ( 0.000 0.712 7.451) 7.485 23.316 ( 0.000 0.750 -0.270) 0.797 23.316 ( 0.000 0.750 0.270) 0.797 26.163 ( 0.000 4.592 -7.567) 8.852 26.163 ( 0.000 4.592 7.567) 8.852 26.332 ( -0.000 -3.316 -6.389) 7.198 26.332 ( -0.000 -3.316 6.389) 7.198=================== 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 3/34848 10.0 458.045 910.141 717.320 0.000 0.000 0.000 3/34848 20.0 182.611 232.932 142.422 0.000 0.000 0.000 3/34848 30.0 75.394 86.221 48.897 0.000 0.000 0.000 3/34848 40.0 45.602 47.422 26.403 0.000 0.000 0.000 3/34848 50.0 32.228 31.411 17.713 0.000 0.000 0.000 3/34848 60.0 24.712 23.024 13.314 0.000 0.000 0.000 3/34848 70.0 19.945 17.981 10.690 0.000 0.000 0.000 3/34848 80.0 16.673 14.662 8.948 0.000 0.000 0.000 3/34848 90.0 14.301 12.337 7.706 0.000 0.000 0.000 3/34848 100.0 12.510 10.629 6.775 0.000 0.000 0.000 3/34848 110.0 11.113 9.329 6.051 0.000 0.000 0.000 3/34848 120.0 9.997 8.311 5.472 0.000 0.000 0.000 3/34848 130.0 9.086 7.494 4.999 0.000 0.000 0.000 3/34848 140.0 8.330 6.825 4.606 0.000 0.000 0.000 3/34848 150.0 7.693 6.269 4.273 0.000 0.000 0.000 3/34848 160.0 7.149 5.800 3.989 0.000 0.000 0.000 3/34848 170.0 6.681 5.399 3.743 0.000 0.000 0.000 3/34848 180.0 6.273 5.052 3.528 0.000 0.000 0.000 3/34848 190.0 5.915 4.750 3.339 0.000 0.000 0.000 3/34848 200.0 5.597 4.485 3.171 0.000 0.000 0.000 3/34848 210.0 5.315 4.249 3.021 0.000 0.000 0.000 3/34848 220.0 5.061 4.039 2.886 0.000 0.000 0.000 3/34848 230.0 4.833 3.851 2.763 0.000 0.000 0.000 3/34848 240.0 4.625 3.681 2.652 0.000 0.000 0.000 3/34848 250.0 4.437 3.526 2.551 0.000 0.000 0.000 3/34848 260.0 4.264 3.385 2.457 0.000 0.000 0.000 3/34848 270.0 4.105 3.256 2.371 0.000 0.000 0.000 3/34848 280.0 3.958 3.138 2.292 0.000 0.000 0.000 3/34848 290.0 3.823 3.028 2.218 0.000 0.000 0.000 3/34848 300.0 3.697 2.927 2.149 0.000 0.000 0.000 3/34848 310.0 3.579 2.832 2.085 0.000 0.000 0.000 3/34848 320.0 3.470 2.744 2.025 0.000 0.000 0.000 3/34848 330.0 3.367 2.662 1.969 0.000 0.000 0.000 3/34848 340.0 3.270 2.585 1.915 0.000 0.000 0.000 3/34848 350.0 3.180 2.513 1.865 0.000 0.000 0.000 3/34848 360.0 3.094 2.445 1.818 0.000 0.000 0.000 3/34848 370.0 3.013 2.380 1.773 0.000 0.000 0.000 3/34848 380.0 2.937 2.320 1.730 0.000 0.000 0.000 3/34848 390.0 2.864 2.262 1.690 0.000 0.000 0.000 3/34848 400.0 2.795 2.207 1.651 0.000 0.000 0.000 3/34848 410.0 2.730 2.155 1.614 0.000 0.000 0.000 3/34848 420.0 2.667 2.106 1.579 0.000 0.000 0.000 3/34848 430.0 2.608 2.059 1.546 0.000 0.000 0.000 3/34848 440.0 2.551 2.014 1.513 0.000 0.000 0.000 3/34848 450.0 2.496 1.971 1.483 0.000 0.000 0.000 3/34848 460.0 2.444 1.930 1.453 0.000 0.000 0.000 3/34848 470.0 2.395 1.891 1.425 0.000 0.000 0.000 3/34848 480.0 2.347 1.853 1.397 0.000 0.000 0.000 3/34848 490.0 2.301 1.817 1.371 0.000 0.000 0.000 3/34848 500.0 2.257 1.782 1.346 0.000 0.000 0.000 3/34848 510.0 2.214 1.749 1.322 0.000 0.000 0.000 3/34848 520.0 2.173 1.716 1.298 0.000 0.000 0.000 3/34848 530.0 2.134 1.685 1.276 0.000 0.000 0.000 3/34848 540.0 2.096 1.655 1.254 0.000 0.000 0.000 3/34848 550.0 2.060 1.627 1.233 0.000 0.000 0.000 3/34848 560.0 2.024 1.599 1.212 0.000 0.000 0.000 3/34848 570.0 1.990 1.572 1.193 0.000 0.000 0.000 3/34848 580.0 1.957 1.546 1.174 0.000 0.000 0.000 3/34848 590.0 1.925 1.521 1.155 0.000 0.000 0.000 3/34848 600.0 1.894 1.497 1.137 0.000 0.000 0.000 3/34848 610.0 1.865 1.473 1.120 0.000 0.000 0.000 3/34848 620.0 1.836 1.450 1.103 0.000 0.000 0.000 3/34848 630.0 1.808 1.428 1.087 0.000 0.000 0.000 3/34848 640.0 1.780 1.407 1.071 0.000 0.000 0.000 3/34848 650.0 1.754 1.386 1.055 0.000 0.000 0.000 3/34848 660.0 1.728 1.366 1.040 0.000 0.000 0.000 3/34848 670.0 1.703 1.346 1.026 0.000 0.000 0.000 3/34848 680.0 1.679 1.327 1.011 0.000 0.000 0.000 3/34848 690.0 1.656 1.309 0.998 0.000 0.000 0.000 3/34848 700.0 1.633 1.291 0.984 0.000 0.000 0.000 3/34848 710.0 1.611 1.273 0.971 0.000 0.000 0.000 3/34848 720.0 1.589 1.256 0.958 0.000 0.000 0.000 3/34848 730.0 1.568 1.240 0.946 0.000 0.000 0.000 3/34848 740.0 1.547 1.224 0.934 0.000 0.000 0.000 3/34848 750.0 1.527 1.208 0.922 0.000 0.000 0.000 3/34848 760.0 1.508 1.193 0.911 0.000 0.000 0.000 3/34848 770.0 1.489 1.178 0.899 0.000 0.000 0.000 3/34848 780.0 1.470 1.163 0.889 0.000 0.000 0.000 3/34848 790.0 1.452 1.149 0.878 0.000 0.000 0.000 3/34848 800.0 1.435 1.135 0.867 0.000 0.000 0.000 3/34848 810.0 1.418 1.121 0.857 0.000 0.000 0.000 3/34848 820.0 1.401 1.108 0.847 0.000 0.000 0.000 3/34848 830.0 1.384 1.095 0.838 0.000 0.000 0.000 3/34848 840.0 1.368 1.083 0.828 0.000 0.000 0.000 3/34848 850.0 1.353 1.070 0.819 0.000 0.000 0.000 3/34848 860.0 1.337 1.058 0.810 0.000 0.000 0.000 3/34848 870.0 1.322 1.046 0.801 0.000 0.000 0.000 3/34848 880.0 1.308 1.035 0.792 0.000 0.000 0.000 3/34848 890.0 1.293 1.024 0.783 0.000 0.000 0.000 3/34848 900.0 1.279 1.013 0.775 0.000 0.000 0.000 3/34848 910.0 1.266 1.002 0.767 0.000 0.000 0.000 3/34848 920.0 1.252 0.991 0.759 0.000 0.000 0.000 3/34848 930.0 1.239 0.981 0.751 0.000 0.000 0.000 3/34848 940.0 1.226 0.971 0.743 0.000 0.000 0.000 3/34848 950.0 1.214 0.961 0.736 0.000 0.000 0.000 3/34848 960.0 1.201 0.951 0.729 0.000 0.000 0.000 3/34848 970.0 1.189 0.941 0.721 0.000 0.000 0.000 3/34848 980.0 1.177 0.932 0.714 0.000 0.000 0.000 3/34848 990.0 1.166 0.923 0.707 0.000 0.000 0.000 3/34848 1000.0 1.154 0.914 0.701 0.000 0.000 0.000 3/34848Thermal conductivity related properties were written into "kappa-m11118.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 23:26:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|