# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/193888e9-cc67-4978-acec-12cc10f71bbc/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 Bi2PbSe4 / R-3m (166) / materials id 675543](https://mdr.nims.go.jp/datasets/1b1c37c6-38d2-4bf7-b2e5-9e023609f4b3) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 21:38:03]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)Number of symmetry operations in supercell: 144------------------------------ primitive cell ------------------------------Lattice vectors: a 2.087823455344844 1.205405433963758 13.026556373333319 b -2.087823455344840 1.205405433963758 13.026556373333319 c 0.000000000000002 -2.410810867927519 13.026556373333319Atomic positions (fractional): *1 Bi 0.57142701184061 0.57142701184061 0.57142701184061 208.980 2 Bi 0.42857298815939 0.42857298815939 0.42857298815939 208.980 *3 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 *4 Se 0.86538596466093 0.86538596466093 0.86538596466093 78.960 *5 Se 0.71353855038761 0.71353855038761 0.71353855038761 78.960 6 Se 0.28646144961240 0.28646144961240 0.28646144961240 78.960 7 Se 0.13461403533907 0.13461403533907 0.13461403533907 78.960-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.175646910689684 0.000000000000000 0.000000000000000 b -2.087823455344842 3.616216301891277 0.000000000000000 c 0.000000000000000 0.000000000000000 39.079669119999998Atomic positions (fractional): *1 Bi 0.33333333333333 0.66666666666667 0.23809367850728 208.980 > 1 2 Bi 0.33333333333333 0.66666666666667 0.09523965482605 208.980 > 2 3 Bi 0.00000000000000 0.00000000000000 0.57142701184061 208.980 > 1 4 Bi 0.00000000000000 0.00000000000000 0.42857298815939 208.980 > 2 5 Bi 0.66666666666667 0.33333333333333 0.90476034517394 208.980 > 1 6 Bi 0.66666666666667 0.33333333333333 0.76190632149272 208.980 > 2 *7 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 3 8 Pb 0.66666666666667 0.33333333333333 0.33333333333333 207.200 > 3 9 Pb 0.33333333333333 0.66666666666667 0.66666666666667 207.200 > 3 *10 Se 0.66666666666667 0.33333333333333 0.19871929799427 78.960 > 4 *11 Se 0.66666666666667 0.33333333333333 0.04687188372094 78.960 > 5 12 Se 0.00000000000000 0.00000000000000 0.28646144961240 78.960 > 6 13 Se 0.00000000000000 0.00000000000000 0.13461403533907 78.960 > 7 14 Se 0.33333333333333 0.66666666666667 0.53205263132760 78.960 > 4 15 Se 0.33333333333333 0.66666666666667 0.38020521705427 78.960 > 5 16 Se 0.66666666666667 0.33333333333333 0.61979478294573 78.960 > 6 17 Se 0.66666666666667 0.33333333333333 0.46794736867240 78.960 > 7 18 Se 0.00000000000000 0.00000000000000 0.86538596466093 78.960 > 4 19 Se 0.00000000000000 0.00000000000000 0.71353855038760 78.960 > 5 20 Se 0.33333333333333 0.66666666666667 0.95312811627906 78.960 > 6 21 Se 0.33333333333333 0.66666666666667 0.80128070200573 78.960 > 7-------------------------------- super cell --------------------------------Lattice vectors: a 8.351293821379368 0.000000000000000 0.000000000000000 b -4.175646910689684 7.232432603782554 0.000000000000000 c 0.000000000000000 0.000000000000000 39.079669119999998Atomic positions (fractional): *1 Bi 0.16666666666667 0.33333333333333 0.23809367850728 208.980 > 1 2 Bi 0.66666666666667 0.33333333333333 0.23809367850728 208.980 > 1 3 Bi 0.16666666666667 0.83333333333333 0.23809367850728 208.980 > 1 4 Bi 0.66666666666667 0.83333333333333 0.23809367850728 208.980 > 1 5 Bi 0.16666666666667 0.33333333333333 0.09523965482605 208.980 > 2 6 Bi 0.66666666666667 0.33333333333333 0.09523965482605 208.980 > 2 7 Bi 0.16666666666667 0.83333333333333 0.09523965482605 208.980 > 2 8 Bi 0.66666666666667 0.83333333333333 0.09523965482605 208.980 > 2 9 Bi 0.00000000000000 0.00000000000000 0.57142701184061 208.980 > 1 10 Bi 0.50000000000000 0.00000000000000 0.57142701184061 208.980 > 1 11 Bi 0.00000000000000 0.50000000000000 0.57142701184061 208.980 > 1 12 Bi 0.50000000000000 0.50000000000000 0.57142701184061 208.980 > 1 13 Bi 0.00000000000000 0.00000000000000 0.42857298815939 208.980 > 2 14 Bi 0.50000000000000 0.00000000000000 0.42857298815939 208.980 > 2 15 Bi 0.00000000000000 0.50000000000000 0.42857298815939 208.980 > 2 16 Bi 0.50000000000000 0.50000000000000 0.42857298815939 208.980 > 2 17 Bi 0.33333333333333 0.16666666666667 0.90476034517394 208.980 > 1 18 Bi 0.83333333333333 0.16666666666667 0.90476034517394 208.980 > 1 19 Bi 0.33333333333333 0.66666666666667 0.90476034517394 208.980 > 1 20 Bi 0.83333333333333 0.66666666666667 0.90476034517394 208.980 > 1 21 Bi 0.33333333333333 0.16666666666667 0.76190632149272 208.980 > 2 22 Bi 0.83333333333333 0.16666666666667 0.76190632149272 208.980 > 2 23 Bi 0.33333333333333 0.66666666666667 0.76190632149272 208.980 > 2 24 Bi 0.83333333333333 0.66666666666667 0.76190632149272 208.980 > 2 *25 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 3 26 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 3 27 Pb 0.00000000000000 0.50000000000000 0.00000000000000 207.200 > 3 28 Pb 0.50000000000000 0.50000000000000 0.00000000000000 207.200 > 3 29 Pb 0.33333333333333 0.16666666666667 0.33333333333333 207.200 > 3 30 Pb 0.83333333333333 0.16666666666667 0.33333333333333 207.200 > 3 31 Pb 0.33333333333333 0.66666666666667 0.33333333333333 207.200 > 3 32 Pb 0.83333333333333 0.66666666666667 0.33333333333333 207.200 > 3 33 Pb 0.16666666666667 0.33333333333333 0.66666666666667 207.200 > 3 34 Pb 0.66666666666667 0.33333333333333 0.66666666666667 207.200 > 3 35 Pb 0.16666666666667 0.83333333333333 0.66666666666667 207.200 > 3 36 Pb 0.66666666666667 0.83333333333333 0.66666666666667 207.200 > 3 *37 Se 0.33333333333333 0.16666666666667 0.19871929799427 78.960 > 4 38 Se 0.83333333333333 0.16666666666667 0.19871929799427 78.960 > 4 39 Se 0.33333333333333 0.66666666666667 0.19871929799427 78.960 > 4 40 Se 0.83333333333333 0.66666666666667 0.19871929799427 78.960 > 4 *41 Se 0.33333333333333 0.16666666666667 0.04687188372094 78.960 > 5 42 Se 0.83333333333333 0.16666666666667 0.04687188372094 78.960 > 5 43 Se 0.33333333333333 0.66666666666667 0.04687188372094 78.960 > 5 44 Se 0.83333333333333 0.66666666666667 0.04687188372094 78.960 > 5 45 Se 0.00000000000000 0.00000000000000 0.28646144961240 78.960 > 6 46 Se 0.50000000000000 0.00000000000000 0.28646144961240 78.960 > 6 47 Se 0.00000000000000 0.50000000000000 0.28646144961240 78.960 > 6 48 Se 0.50000000000000 0.50000000000000 0.28646144961240 78.960 > 6 49 Se 0.00000000000000 0.00000000000000 0.13461403533907 78.960 > 7 50 Se 0.50000000000000 0.00000000000000 0.13461403533907 78.960 > 7 51 Se 0.00000000000000 0.50000000000000 0.13461403533907 78.960 > 7 52 Se 0.50000000000000 0.50000000000000 0.13461403533907 78.960 > 7 53 Se 0.16666666666667 0.33333333333333 0.53205263132760 78.960 > 4 54 Se 0.66666666666667 0.33333333333333 0.53205263132760 78.960 > 4 55 Se 0.16666666666667 0.83333333333333 0.53205263132760 78.960 > 4 56 Se 0.66666666666667 0.83333333333333 0.53205263132760 78.960 > 4 57 Se 0.16666666666667 0.33333333333333 0.38020521705427 78.960 > 5 58 Se 0.66666666666667 0.33333333333333 0.38020521705427 78.960 > 5 59 Se 0.16666666666667 0.83333333333333 0.38020521705427 78.960 > 5 60 Se 0.66666666666667 0.83333333333333 0.38020521705427 78.960 > 5 61 Se 0.33333333333333 0.16666666666667 0.61979478294573 78.960 > 6 62 Se 0.83333333333333 0.16666666666667 0.61979478294573 78.960 > 6 63 Se 0.33333333333333 0.66666666666667 0.61979478294573 78.960 > 6 64 Se 0.83333333333333 0.66666666666667 0.61979478294573 78.960 > 6 65 Se 0.33333333333333 0.16666666666667 0.46794736867240 78.960 > 7 66 Se 0.83333333333333 0.16666666666667 0.46794736867240 78.960 > 7 67 Se 0.33333333333333 0.66666666666667 0.46794736867240 78.960 > 7 68 Se 0.83333333333333 0.66666666666667 0.46794736867240 78.960 > 7 69 Se 0.00000000000000 0.00000000000000 0.86538596466093 78.960 > 4 70 Se 0.50000000000000 0.00000000000000 0.86538596466093 78.960 > 4 71 Se 0.00000000000000 0.50000000000000 0.86538596466093 78.960 > 4 72 Se 0.50000000000000 0.50000000000000 0.86538596466093 78.960 > 4 73 Se 0.00000000000000 0.00000000000000 0.71353855038760 78.960 > 5 74 Se 0.50000000000000 0.00000000000000 0.71353855038760 78.960 > 5 75 Se 0.00000000000000 0.50000000000000 0.71353855038760 78.960 > 5 76 Se 0.50000000000000 0.50000000000000 0.71353855038760 78.960 > 5 77 Se 0.16666666666667 0.33333333333333 0.95312811627906 78.960 > 6 78 Se 0.66666666666667 0.33333333333333 0.95312811627906 78.960 > 6 79 Se 0.16666666666667 0.83333333333333 0.95312811627906 78.960 > 6 80 Se 0.66666666666667 0.83333333333333 0.95312811627906 78.960 > 6 81 Se 0.16666666666667 0.33333333333333 0.80128070200573 78.960 > 7 82 Se 0.66666666666667 0.33333333333333 0.80128070200573 78.960 > 7 83 Se 0.16666666666667 0.83333333333333 0.80128070200573 78.960 > 7 84 Se 0.66666666666667 0.83333333333333 0.80128070200573 78.960 > 7----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 22.3797476 0.0000000 0.0000000 -0.0000000 22.3797476 0.0000000 0.0000000 0.0000000 28.5841387-------------------------- Born effective charges -------------------------- 1 Bi 6.4959265 0.0000000 0.0000000 -0.0000000 6.4959265 0.0000000 0.0000000 0.0000000 2.0604168 2 Bi 6.4959265 0.0000000 0.0000000 -0.0000000 6.4959265 0.0000000 0.0000000 0.0000000 2.0604168 3 Pb 4.6333449 -0.0000000 0.0000000 0.0000000 4.6333449 0.0000000 0.0000000 0.0000000 4.0211034 4 Se -4.0024583 -0.0000000 0.0000000 0.0000000 -4.0024583 0.0000000 0.0000000 0.0000000 -0.3473793 5 Se -4.8101407 -0.0000000 0.0000000 0.0000000 -4.8101407 0.0000000 0.0000000 0.0000000 -3.7235891 6 Se -4.8101407 -0.0000000 0.0000000 0.0000000 -4.8101407 0.0000000 0.0000000 0.0000000 -3.7235891 7 Se -4.0024583 -0.0000000 0.0000000 0.0000000 -4.0024583 0.0000000 0.0000000 0.0000000 -0.3473793----------------------------------------------------------------------------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: 252/252Permutation basis: 3486/3486Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 294Number of blocks in projector: 324Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 132Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 88Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 74Use standard eigh solver.Tree of FC basis block matrices:- (294, 286), data: False|-- (74, 74), data: True|-- (88, 84), data: True|-- (132, 128), data: True-----Solver_atoms: 1 -- 84 / 84Time (Solver_compr_matrix_reshape): 0.004Solver_block: 80 / 80 - Time: 0.128Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.134--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 252/252Permutation basis: 3486/3486Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 294Number of blocks in projector: 324Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 132Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 88Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 74Use standard eigh solver.Tree of FC basis block matrices:- (294, 286), data: False|-- (74, 74), data: True|-- (88, 84), data: True|-- (132, 128), 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 21:38:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 21:38:07]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 2 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.087823455344844 1.205405433963758 13.026556373333319 b -2.087823455344840 1.205405433963758 13.026556373333319 c 0.000000000000002 -2.410810867927519 13.026556373333319Atomic positions (fractional): 1 Bi 0.57142701184061 0.57142701184061 0.57142701184061 208.980 2 Bi 0.42857298815939 0.42857298815939 0.42857298815939 208.980 3 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 4 Se 0.86538596466093 0.86538596466093 0.86538596466093 78.960 5 Se 0.71353855038761 0.71353855038761 0.71353855038761 78.960 6 Se 0.28646144961240 0.28646144961240 0.28646144961240 78.960 7 Se 0.13461403533907 0.13461403533907 0.13461403533907 78.960-------------------------------- supercell ---------------------------------Lattice vectors: a 8.351293821379368 0.000000000000000 0.000000000000000 b -4.175646910689684 7.232432603782554 0.000000000000000 c 0.000000000000000 0.000000000000000 39.079669119999998Atomic positions (fractional): 1 Bi 0.16666666666667 0.33333333333333 0.23809367850728 208.980 > 1 2 Bi 0.66666666666667 0.33333333333333 0.23809367850728 208.980 > 1 3 Bi 0.16666666666667 0.83333333333333 0.23809367850728 208.980 > 1 4 Bi 0.66666666666667 0.83333333333333 0.23809367850728 208.980 > 1 5 Bi 0.16666666666667 0.33333333333333 0.09523965482605 208.980 > 5 6 Bi 0.66666666666667 0.33333333333333 0.09523965482605 208.980 > 5 7 Bi 0.16666666666667 0.83333333333333 0.09523965482605 208.980 > 5 8 Bi 0.66666666666667 0.83333333333333 0.09523965482605 208.980 > 5 9 Bi 0.00000000000000 0.00000000000000 0.57142701184061 208.980 > 1 10 Bi 0.50000000000000 0.00000000000000 0.57142701184061 208.980 > 1 11 Bi 0.00000000000000 0.50000000000000 0.57142701184061 208.980 > 1 12 Bi 0.50000000000000 0.50000000000000 0.57142701184061 208.980 > 1 13 Bi 0.00000000000000 0.00000000000000 0.42857298815939 208.980 > 5 14 Bi 0.50000000000000 0.00000000000000 0.42857298815939 208.980 > 5 15 Bi 0.00000000000000 0.50000000000000 0.42857298815939 208.980 > 5 16 Bi 0.50000000000000 0.50000000000000 0.42857298815939 208.980 > 5 17 Bi 0.33333333333333 0.16666666666667 0.90476034517394 208.980 > 1 18 Bi 0.83333333333333 0.16666666666667 0.90476034517394 208.980 > 1 19 Bi 0.33333333333333 0.66666666666667 0.90476034517394 208.980 > 1 20 Bi 0.83333333333333 0.66666666666667 0.90476034517394 208.980 > 1 21 Bi 0.33333333333333 0.16666666666667 0.76190632149272 208.980 > 5 22 Bi 0.83333333333333 0.16666666666667 0.76190632149272 208.980 > 5 23 Bi 0.33333333333333 0.66666666666667 0.76190632149272 208.980 > 5 24 Bi 0.83333333333333 0.66666666666667 0.76190632149272 208.980 > 5 25 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 25 26 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 25 27 Pb 0.00000000000000 0.50000000000000 0.00000000000000 207.200 > 25 28 Pb 0.50000000000000 0.50000000000000 0.00000000000000 207.200 > 25 29 Pb 0.33333333333333 0.16666666666667 0.33333333333333 207.200 > 25 30 Pb 0.83333333333333 0.16666666666667 0.33333333333333 207.200 > 25 31 Pb 0.33333333333333 0.66666666666667 0.33333333333333 207.200 > 25 32 Pb 0.83333333333333 0.66666666666667 0.33333333333333 207.200 > 25 33 Pb 0.16666666666667 0.33333333333333 0.66666666666667 207.200 > 25 34 Pb 0.66666666666667 0.33333333333333 0.66666666666667 207.200 > 25 35 Pb 0.16666666666667 0.83333333333333 0.66666666666667 207.200 > 25 36 Pb 0.66666666666667 0.83333333333333 0.66666666666667 207.200 > 25 37 Se 0.33333333333333 0.16666666666667 0.19871929799427 78.960 > 37 38 Se 0.83333333333333 0.16666666666667 0.19871929799427 78.960 > 37 39 Se 0.33333333333333 0.66666666666667 0.19871929799427 78.960 > 37 40 Se 0.83333333333333 0.66666666666667 0.19871929799427 78.960 > 37 41 Se 0.33333333333333 0.16666666666667 0.04687188372094 78.960 > 41 42 Se 0.83333333333333 0.16666666666667 0.04687188372094 78.960 > 41 43 Se 0.33333333333333 0.66666666666667 0.04687188372094 78.960 > 41 44 Se 0.83333333333333 0.66666666666667 0.04687188372094 78.960 > 41 45 Se 0.00000000000000 0.00000000000000 0.28646144961240 78.960 > 45 46 Se 0.50000000000000 0.00000000000000 0.28646144961240 78.960 > 45 47 Se 0.00000000000000 0.50000000000000 0.28646144961240 78.960 > 45 48 Se 0.50000000000000 0.50000000000000 0.28646144961240 78.960 > 45 49 Se 0.00000000000000 0.00000000000000 0.13461403533907 78.960 > 49 50 Se 0.50000000000000 0.00000000000000 0.13461403533907 78.960 > 49 51 Se 0.00000000000000 0.50000000000000 0.13461403533907 78.960 > 49 52 Se 0.50000000000000 0.50000000000000 0.13461403533907 78.960 > 49 53 Se 0.16666666666667 0.33333333333333 0.53205263132760 78.960 > 37 54 Se 0.66666666666667 0.33333333333333 0.53205263132760 78.960 > 37 55 Se 0.16666666666667 0.83333333333333 0.53205263132760 78.960 > 37 56 Se 0.66666666666667 0.83333333333333 0.53205263132760 78.960 > 37 57 Se 0.16666666666667 0.33333333333333 0.38020521705427 78.960 > 41 58 Se 0.66666666666667 0.33333333333333 0.38020521705427 78.960 > 41 59 Se 0.16666666666667 0.83333333333333 0.38020521705427 78.960 > 41 60 Se 0.66666666666667 0.83333333333333 0.38020521705427 78.960 > 41 61 Se 0.33333333333333 0.16666666666667 0.61979478294573 78.960 > 45 62 Se 0.83333333333333 0.16666666666667 0.61979478294573 78.960 > 45 63 Se 0.33333333333333 0.66666666666667 0.61979478294573 78.960 > 45 64 Se 0.83333333333333 0.66666666666667 0.61979478294573 78.960 > 45 65 Se 0.33333333333333 0.16666666666667 0.46794736867240 78.960 > 49 66 Se 0.83333333333333 0.16666666666667 0.46794736867240 78.960 > 49 67 Se 0.33333333333333 0.66666666666667 0.46794736867240 78.960 > 49 68 Se 0.83333333333333 0.66666666666667 0.46794736867240 78.960 > 49 69 Se 0.00000000000000 0.00000000000000 0.86538596466093 78.960 > 37 70 Se 0.50000000000000 0.00000000000000 0.86538596466093 78.960 > 37 71 Se 0.00000000000000 0.50000000000000 0.86538596466093 78.960 > 37 72 Se 0.50000000000000 0.50000000000000 0.86538596466093 78.960 > 37 73 Se 0.00000000000000 0.00000000000000 0.71353855038760 78.960 > 41 74 Se 0.50000000000000 0.00000000000000 0.71353855038760 78.960 > 41 75 Se 0.00000000000000 0.50000000000000 0.71353855038760 78.960 > 41 76 Se 0.50000000000000 0.50000000000000 0.71353855038760 78.960 > 41 77 Se 0.16666666666667 0.33333333333333 0.95312811627906 78.960 > 45 78 Se 0.66666666666667 0.33333333333333 0.95312811627906 78.960 > 45 79 Se 0.16666666666667 0.83333333333333 0.95312811627906 78.960 > 45 80 Se 0.66666666666667 0.83333333333333 0.95312811627906 78.960 > 45 81 Se 0.16666666666667 0.33333333333333 0.80128070200573 78.960 > 49 82 Se 0.66666666666667 0.33333333333333 0.80128070200573 78.960 > 49 83 Se 0.16666666666667 0.83333333333333 0.80128070200573 78.960 > 49 84 Se 0.66666666666667 0.83333333333333 0.80128070200573 78.960 > 49----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 22.3797476 0.0000000 0.0000000 -0.0000000 22.3797476 0.0000000 0.0000000 0.0000000 28.5841387-------------------------- Born effective charges -------------------------- 1 Bi 6.4959265 0.0000000 0.0000000 -0.0000000 6.4959265 0.0000000 0.0000000 0.0000000 2.0604168 2 Bi 6.4959265 0.0000000 0.0000000 -0.0000000 6.4959265 0.0000000 0.0000000 0.0000000 2.0604168 3 Pb 4.6333449 -0.0000000 0.0000000 0.0000000 4.6333449 0.0000000 0.0000000 0.0000000 4.0211034 4 Se -4.0024583 -0.0000000 0.0000000 0.0000000 -4.0024583 0.0000000 0.0000000 0.0000000 -0.3473793 5 Se -4.8101407 -0.0000000 0.0000000 0.0000000 -4.8101407 0.0000000 0.0000000 0.0000000 -3.7235891 6 Se -4.8101407 -0.0000000 0.0000000 0.0000000 -4.8101407 0.0000000 0.0000000 0.0000000 -3.7235891 7 Se -4.0024583 -0.0000000 0.0000000 0.0000000 -4.0024583 0.0000000 0.0000000 0.0000000 -0.3473793----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 25, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 37, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 41, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: -0.00000006 (yzz) -0.00000006 (yzz) -0.00000006 (yzz)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 21:38:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 21:38:12]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 2 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.087823455344844 1.205405433963758 13.026556373333319 b -2.087823455344840 1.205405433963758 13.026556373333319 c 0.000000000000002 -2.410810867927519 13.026556373333319Atomic positions (fractional): 1 Bi 0.57142701184061 0.57142701184061 0.57142701184061 208.980 2 Bi 0.42857298815939 0.42857298815939 0.42857298815939 208.980 3 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 4 Se 0.86538596466093 0.86538596466093 0.86538596466093 78.960 5 Se 0.71353855038761 0.71353855038761 0.71353855038761 78.960 6 Se 0.28646144961240 0.28646144961240 0.28646144961240 78.960 7 Se 0.13461403533907 0.13461403533907 0.13461403533907 78.960-------------------------------- supercell ---------------------------------Lattice vectors: a 8.351293821379368 0.000000000000000 0.000000000000000 b -4.175646910689684 7.232432603782554 0.000000000000000 c 0.000000000000000 0.000000000000000 39.079669119999998Atomic positions (fractional): 1 Bi 0.16666666666667 0.33333333333333 0.23809367850728 208.980 > 1 2 Bi 0.66666666666667 0.33333333333333 0.23809367850728 208.980 > 1 3 Bi 0.16666666666667 0.83333333333333 0.23809367850728 208.980 > 1 4 Bi 0.66666666666667 0.83333333333333 0.23809367850728 208.980 > 1 5 Bi 0.16666666666667 0.33333333333333 0.09523965482605 208.980 > 5 6 Bi 0.66666666666667 0.33333333333333 0.09523965482605 208.980 > 5 7 Bi 0.16666666666667 0.83333333333333 0.09523965482605 208.980 > 5 8 Bi 0.66666666666667 0.83333333333333 0.09523965482605 208.980 > 5 9 Bi 0.00000000000000 0.00000000000000 0.57142701184061 208.980 > 1 10 Bi 0.50000000000000 0.00000000000000 0.57142701184061 208.980 > 1 11 Bi 0.00000000000000 0.50000000000000 0.57142701184061 208.980 > 1 12 Bi 0.50000000000000 0.50000000000000 0.57142701184061 208.980 > 1 13 Bi 0.00000000000000 0.00000000000000 0.42857298815939 208.980 > 5 14 Bi 0.50000000000000 0.00000000000000 0.42857298815939 208.980 > 5 15 Bi 0.00000000000000 0.50000000000000 0.42857298815939 208.980 > 5 16 Bi 0.50000000000000 0.50000000000000 0.42857298815939 208.980 > 5 17 Bi 0.33333333333333 0.16666666666667 0.90476034517394 208.980 > 1 18 Bi 0.83333333333333 0.16666666666667 0.90476034517394 208.980 > 1 19 Bi 0.33333333333333 0.66666666666667 0.90476034517394 208.980 > 1 20 Bi 0.83333333333333 0.66666666666667 0.90476034517394 208.980 > 1 21 Bi 0.33333333333333 0.16666666666667 0.76190632149272 208.980 > 5 22 Bi 0.83333333333333 0.16666666666667 0.76190632149272 208.980 > 5 23 Bi 0.33333333333333 0.66666666666667 0.76190632149272 208.980 > 5 24 Bi 0.83333333333333 0.66666666666667 0.76190632149272 208.980 > 5 25 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 25 26 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 25 27 Pb 0.00000000000000 0.50000000000000 0.00000000000000 207.200 > 25 28 Pb 0.50000000000000 0.50000000000000 0.00000000000000 207.200 > 25 29 Pb 0.33333333333333 0.16666666666667 0.33333333333333 207.200 > 25 30 Pb 0.83333333333333 0.16666666666667 0.33333333333333 207.200 > 25 31 Pb 0.33333333333333 0.66666666666667 0.33333333333333 207.200 > 25 32 Pb 0.83333333333333 0.66666666666667 0.33333333333333 207.200 > 25 33 Pb 0.16666666666667 0.33333333333333 0.66666666666667 207.200 > 25 34 Pb 0.66666666666667 0.33333333333333 0.66666666666667 207.200 > 25 35 Pb 0.16666666666667 0.83333333333333 0.66666666666667 207.200 > 25 36 Pb 0.66666666666667 0.83333333333333 0.66666666666667 207.200 > 25 37 Se 0.33333333333333 0.16666666666667 0.19871929799427 78.960 > 37 38 Se 0.83333333333333 0.16666666666667 0.19871929799427 78.960 > 37 39 Se 0.33333333333333 0.66666666666667 0.19871929799427 78.960 > 37 40 Se 0.83333333333333 0.66666666666667 0.19871929799427 78.960 > 37 41 Se 0.33333333333333 0.16666666666667 0.04687188372094 78.960 > 41 42 Se 0.83333333333333 0.16666666666667 0.04687188372094 78.960 > 41 43 Se 0.33333333333333 0.66666666666667 0.04687188372094 78.960 > 41 44 Se 0.83333333333333 0.66666666666667 0.04687188372094 78.960 > 41 45 Se 0.00000000000000 0.00000000000000 0.28646144961240 78.960 > 45 46 Se 0.50000000000000 0.00000000000000 0.28646144961240 78.960 > 45 47 Se 0.00000000000000 0.50000000000000 0.28646144961240 78.960 > 45 48 Se 0.50000000000000 0.50000000000000 0.28646144961240 78.960 > 45 49 Se 0.00000000000000 0.00000000000000 0.13461403533907 78.960 > 49 50 Se 0.50000000000000 0.00000000000000 0.13461403533907 78.960 > 49 51 Se 0.00000000000000 0.50000000000000 0.13461403533907 78.960 > 49 52 Se 0.50000000000000 0.50000000000000 0.13461403533907 78.960 > 49 53 Se 0.16666666666667 0.33333333333333 0.53205263132760 78.960 > 37 54 Se 0.66666666666667 0.33333333333333 0.53205263132760 78.960 > 37 55 Se 0.16666666666667 0.83333333333333 0.53205263132760 78.960 > 37 56 Se 0.66666666666667 0.83333333333333 0.53205263132760 78.960 > 37 57 Se 0.16666666666667 0.33333333333333 0.38020521705427 78.960 > 41 58 Se 0.66666666666667 0.33333333333333 0.38020521705427 78.960 > 41 59 Se 0.16666666666667 0.83333333333333 0.38020521705427 78.960 > 41 60 Se 0.66666666666667 0.83333333333333 0.38020521705427 78.960 > 41 61 Se 0.33333333333333 0.16666666666667 0.61979478294573 78.960 > 45 62 Se 0.83333333333333 0.16666666666667 0.61979478294573 78.960 > 45 63 Se 0.33333333333333 0.66666666666667 0.61979478294573 78.960 > 45 64 Se 0.83333333333333 0.66666666666667 0.61979478294573 78.960 > 45 65 Se 0.33333333333333 0.16666666666667 0.46794736867240 78.960 > 49 66 Se 0.83333333333333 0.16666666666667 0.46794736867240 78.960 > 49 67 Se 0.33333333333333 0.66666666666667 0.46794736867240 78.960 > 49 68 Se 0.83333333333333 0.66666666666667 0.46794736867240 78.960 > 49 69 Se 0.00000000000000 0.00000000000000 0.86538596466093 78.960 > 37 70 Se 0.50000000000000 0.00000000000000 0.86538596466093 78.960 > 37 71 Se 0.00000000000000 0.50000000000000 0.86538596466093 78.960 > 37 72 Se 0.50000000000000 0.50000000000000 0.86538596466093 78.960 > 37 73 Se 0.00000000000000 0.00000000000000 0.71353855038760 78.960 > 41 74 Se 0.50000000000000 0.00000000000000 0.71353855038760 78.960 > 41 75 Se 0.00000000000000 0.50000000000000 0.71353855038760 78.960 > 41 76 Se 0.50000000000000 0.50000000000000 0.71353855038760 78.960 > 41 77 Se 0.16666666666667 0.33333333333333 0.95312811627906 78.960 > 45 78 Se 0.66666666666667 0.33333333333333 0.95312811627906 78.960 > 45 79 Se 0.16666666666667 0.83333333333333 0.95312811627906 78.960 > 45 80 Se 0.66666666666667 0.83333333333333 0.95312811627906 78.960 > 45 81 Se 0.16666666666667 0.33333333333333 0.80128070200573 78.960 > 49 82 Se 0.66666666666667 0.33333333333333 0.80128070200573 78.960 > 49 83 Se 0.16666666666667 0.83333333333333 0.80128070200573 78.960 > 49 84 Se 0.66666666666667 0.83333333333333 0.80128070200573 78.960 > 49----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 22.3797476 0.0000000 0.0000000 -0.0000000 22.3797476 0.0000000 0.0000000 0.0000000 28.5841387-------------------------- Born effective charges -------------------------- 1 Bi 6.4959265 0.0000000 0.0000000 -0.0000000 6.4959265 0.0000000 0.0000000 0.0000000 2.0604168 2 Bi 6.4959265 0.0000000 0.0000000 -0.0000000 6.4959265 0.0000000 0.0000000 0.0000000 2.0604168 3 Pb 4.6333449 -0.0000000 0.0000000 0.0000000 4.6333449 0.0000000 0.0000000 0.0000000 4.0211034 4 Se -4.0024583 -0.0000000 0.0000000 0.0000000 -4.0024583 0.0000000 0.0000000 0.0000000 -0.3473793 5 Se -4.8101407 -0.0000000 0.0000000 0.0000000 -4.8101407 0.0000000 0.0000000 0.0000000 -3.7235891 6 Se -4.8101407 -0.0000000 0.0000000 0.0000000 -4.8101407 0.0000000 0.0000000 0.0000000 -3.7235891 7 Se -4.0024583 -0.0000000 0.0000000 0.0000000 -4.0024583 0.0000000 0.0000000 0.0000000 -0.3473793----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000006 (yzz) -0.00000006 (yzz) -0.00000006 (yzz)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 ... [ 14 14 14 ]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: 0.71, Number of G-points: 271, Lambda: 0.37Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/288) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.966 ( 0.000 0.000 0.000) 0.000 0.966 ( 0.000 0.000 0.000) 0.000 1.501 ( 0.000 0.000 0.000) 0.000 1.501 ( 0.000 0.000 0.000) 0.000 1.554 ( 0.000 0.000 0.000) 0.000 2.367 ( 0.000 0.000 0.000) 0.000 2.367 ( 0.000 0.000 0.000) 0.000 2.584 ( 0.000 0.000 0.000) 0.000 3.436 ( 0.000 0.000 0.000) 0.000 3.436 ( 0.000 0.000 0.000) 0.000 4.001 ( 0.000 0.000 0.000) 0.000 4.035 ( 0.000 0.000 0.000) 0.000 4.035 ( 0.000 0.000 0.000) 0.000 4.187 ( 0.000 0.000 0.000) 0.000 4.187 ( 0.000 0.000 0.000) 0.000 4.522 ( 0.000 0.000 0.000) 0.000 5.028 ( 0.000 0.000 0.000) 0.000 5.205 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/288) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.290 ( 13.564 7.831 1.197) 15.709 0.469 ( 19.362 11.179 1.079) 22.383 0.634 ( 26.599 15.357 1.256) 30.740 1.016 ( 4.312 2.489 -1.191) 5.119 1.101 ( 10.356 5.979 0.074) 11.958 1.493 ( -0.333 -0.192 -0.302) 0.489 1.494 ( -0.604 -0.349 0.635) 0.943 1.591 ( 3.256 1.880 -0.613) 3.810 2.442 ( 6.376 3.681 1.506) 7.515 2.556 ( -2.328 -1.344 0.016) 2.688 3.426 ( -0.810 -0.468 -1.008) 1.375 3.479 ( 3.022 1.745 0.164) 3.494 3.858 ( 2.033 1.174 -9.405) 9.693 3.997 ( -0.635 -0.367 0.728) 1.033 3.998 ( -3.258 -1.881 0.736) 3.834 4.157 ( -2.510 -1.449 -0.412) 2.928 4.178 ( -0.670 -0.387 0.880) 1.172 4.476 ( -4.107 -2.371 1.720) 5.045 4.684 ( -0.365 -0.210 -8.352) 8.362 4.986 ( -3.567 -2.059 -0.192) 4.123 5.161 ( -3.783 -2.184 1.105) 4.506======================= Grid point 2 (3/288) =======================q-point: ( 0.14 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.607 ( 13.526 7.809 0.853) 15.642 0.868 ( 15.225 8.790 0.480) 17.587 1.141 ( 6.414 3.703 -1.391) 7.536 1.166 ( 17.199 9.930 0.931) 19.882 1.361 ( 11.461 6.617 -2.618) 13.491 1.475 ( -1.231 -0.710 0.991) 1.732 1.526 ( 4.992 2.882 1.970) 6.092 1.698 ( 6.433 3.714 -0.059) 7.429 2.489 ( -3.193 -1.844 -0.482) 3.719 2.649 ( 11.009 6.356 2.038) 12.874 3.399 ( -1.349 -0.779 -1.048) 1.877 3.527 ( 0.216 0.125 -0.206) 0.324 3.887 ( 0.626 0.361 1.229) 1.425 3.892 ( -6.003 -3.466 0.644) 6.961 3.970 ( -1.701 -0.982 -3.502) 4.015 4.079 ( -4.040 -2.333 -0.386) 4.681 4.173 ( 0.275 0.159 0.552) 0.637 4.351 ( -6.897 -3.982 4.292) 9.047 4.644 ( -2.173 -1.255 -5.949) 6.456 4.875 ( -5.611 -3.239 -0.935) 6.546 5.048 ( -5.930 -3.424 2.055) 7.149======================= Grid point 3 (4/288) =======================q-point: ( 0.21 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.894 ( 11.341 6.548 -0.091) 13.096 1.156 ( 9.761 5.635 -0.521) 11.283 1.289 ( 6.488 3.746 -0.225) 7.495 1.347 ( 2.619 1.512 1.171) 3.243 1.445 ( -1.331 -0.768 0.859) 1.760 1.594 ( 7.657 4.421 -1.024) 8.900 1.698 ( 5.804 3.351 0.393) 6.713 1.939 ( 14.656 8.462 0.930) 16.949 2.435 ( -0.612 -0.353 -0.755) 1.034 2.924 ( 12.056 6.961 1.038) 13.960 3.353 ( -3.054 -1.763 0.148) 3.529 3.471 ( -4.821 -2.783 -1.188) 5.692 3.745 ( -6.197 -3.578 0.289) 7.162 3.862 ( -3.913 -2.259 1.933) 4.914 3.898 ( -3.777 -2.181 -2.936) 5.257 3.985 ( -3.792 -2.189 -0.287) 4.388 4.154 ( -4.238 -2.447 0.312) 4.904 4.239 ( -1.392 -0.804 7.199) 7.376 4.553 ( -5.200 -3.002 -3.022) 6.722 4.754 ( -4.145 -2.393 -2.331) 5.324 4.919 ( -5.322 -3.072 1.913) 6.436======================= Grid point 4 (5/288) =======================q-point: ( 0.29 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.122 ( 8.799 5.080 -1.342) 10.248 1.296 ( 2.234 1.290 -0.995) 2.765 1.392 ( 0.838 0.484 4.602) 4.703 1.394 ( 1.717 0.991 1.377) 2.414 1.473 ( 5.244 3.028 -0.162) 6.057 1.669 ( -0.523 -0.302 -1.634) 1.742 1.795 ( 3.723 2.149 0.193) 4.303 2.236 ( 9.191 5.307 -2.349) 10.870 2.488 ( 5.224 3.016 1.872) 6.316 3.147 ( 3.423 1.976 -1.104) 4.103 3.252 ( -2.629 -1.518 0.683) 3.112 3.321 ( -7.641 -4.411 -1.288) 8.916 3.653 ( -1.515 -0.875 1.940) 2.612 3.695 ( -9.189 -5.305 -4.012) 11.344 3.812 ( -4.268 -2.464 2.475) 5.515 3.922 ( -1.322 -0.763 -0.614) 1.645 4.055 ( -3.542 -2.045 2.814) 4.965 4.239 ( -0.742 -0.428 4.750) 4.827 4.411 ( -6.196 -3.577 -0.793) 7.199 4.692 ( -1.128 -0.651 -1.223) 1.787 4.821 ( -3.518 -2.031 0.349) 4.078======================= Grid point 5 (6/288) =======================q-point: ( 0.36 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.273 ( 2.636 1.522 -1.250) 3.291 1.278 ( -2.208 -1.275 -0.112) 2.552 1.391 ( 0.138 0.080 3.910) 3.914 1.447 ( 2.442 1.410 0.377) 2.845 1.594 ( 4.540 2.621 -0.080) 5.243 1.646 ( -0.030 -0.017 -0.893) 0.894 1.867 ( 2.550 1.472 -0.239) 2.954 2.342 ( 1.609 0.929 -2.498) 3.113 2.618 ( 4.006 2.313 2.460) 5.239 2.993 ( -9.516 -5.494 -0.371) 10.994 3.138 ( -7.837 -4.525 -0.802) 9.085 3.322 ( 2.466 1.424 -1.376) 3.162 3.484 ( -7.903 -4.563 -1.913) 9.324 3.676 ( 2.562 1.479 2.953) 4.180 3.714 ( -4.341 -2.507 0.688) 5.060 3.928 ( 1.687 0.974 -0.608) 2.041 4.000 ( -1.937 -1.119 1.526) 2.708 4.222 ( -1.510 -0.872 4.023) 4.384 4.308 ( -1.829 -1.056 -0.734) 2.236 4.678 ( -0.463 -0.267 0.830) 0.987 4.753 ( -2.550 -1.472 -0.940) 3.090======================= Grid point 6 (7/288) =======================q-point: ( 0.43 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.206 ( -4.710 -2.719 0.630) 5.475 1.228 ( -1.826 -1.054 -0.050) 2.109 1.477 ( 4.383 2.531 -0.520) 5.088 1.494 ( 1.518 0.876 0.292) 1.777 1.658 ( 0.531 0.307 0.767) 0.982 1.671 ( 2.236 1.291 -0.162) 2.587 1.913 ( 1.510 0.872 -0.266) 1.763 2.339 ( -0.922 -0.533 -1.098) 1.530 2.658 ( -0.220 -0.127 1.256) 1.281 2.802 ( -6.380 -3.683 -0.339) 7.375 2.980 ( -5.438 -3.140 -0.135) 6.281 3.338 ( -0.229 -0.132 -0.521) 0.584 3.352 ( -3.390 -1.957 -0.529) 3.950 3.628 ( -2.898 -1.673 -0.217) 3.353 3.746 ( 2.499 1.443 1.360) 3.190 3.967 ( -1.081 -0.624 0.491) 1.341 3.974 ( 1.914 1.105 -0.204) 2.220 4.196 ( -0.728 -0.420 1.913) 2.090 4.320 ( 1.793 1.035 0.001) 2.071 4.666 ( -0.705 -0.407 1.156) 1.414 4.700 ( -1.870 -1.080 -1.070) 2.410======================= Grid point 7 (8/288) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.145 ( 0.000 0.000 0.000) 0.000 1.206 ( 0.000 0.000 -0.000) 0.000 1.513 ( 0.000 0.000 0.000) 0.000 1.532 ( 0.000 0.000 -0.000) 0.000 1.663 ( 0.000 0.000 0.000) 0.000 1.697 ( 0.000 0.000 -0.000) 0.000 1.931 ( 0.000 0.000 0.000) 0.000 2.323 ( 0.000 0.000 -0.000) 0.000 2.650 ( 0.000 0.000 -0.000) 0.000 2.726 ( 0.000 0.000 0.000) 0.000 2.914 ( 0.000 0.000 0.000) 0.000 3.316 ( 0.000 0.000 -0.000) 0.000 3.332 ( 0.000 0.000 -0.000) 0.000 3.593 ( 0.000 0.000 -0.000) 0.000 3.777 ( 0.000 0.000 0.000) 0.000 3.955 ( 0.000 0.000 0.000) 0.000 3.998 ( 0.000 0.000 -0.000) 0.000 4.193 ( 0.000 0.000 0.000) 0.000 4.347 ( 0.000 0.000 -0.000) 0.000 4.658 ( 0.000 0.000 -0.000) 0.000 4.673 ( 0.000 0.000 0.000) 0.000======================= Grid point 16 (9/288) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.298 ( 0.000 15.582 4.184) 16.134 0.472 ( 0.000 22.204 2.322) 22.325 0.635 ( 0.000 30.459 1.805) 30.512 1.019 ( 0.000 5.131 -0.048) 5.131 1.096 ( 0.000 11.933 -1.780) 12.065 1.492 ( 0.000 -0.829 -0.368) 0.907 1.495 ( -0.000 -0.332 0.462) 0.569 1.589 ( 0.000 3.739 -1.371) 3.983 2.446 ( -0.000 7.368 2.945) 7.934 2.557 ( -0.000 -2.691 0.082) 2.692 3.425 ( 0.000 -0.888 -1.141) 1.446 3.474 ( 0.000 3.593 -1.760) 4.001 3.818 ( 0.000 4.505 -21.885) 22.344 3.994 ( -0.000 -3.896 -0.805) 3.979 4.007 ( -0.000 -0.618 3.196) 3.256 4.160 ( -0.000 -2.831 0.543) 2.882 4.174 ( 0.000 -0.986 -0.670) 1.192 4.479 ( -0.000 -4.772 2.583) 5.426 4.680 ( 0.000 1.599 -9.084) 9.223 4.986 ( -0.000 -4.010 -0.185) 4.014 5.163 ( -0.000 -4.527 1.685) 4.831======================= Grid point 17 (10/288) =======================q-point: ( 0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.532 ( 7.522 14.038 3.666) 16.343 0.784 ( 9.746 17.144 1.580) 19.784 1.036 ( 11.783 19.670 0.468) 22.934 1.113 ( 3.857 7.621 -1.019) 8.602 1.279 ( 6.593 11.314 -2.440) 13.320 1.482 ( -0.013 -0.911 -0.036) 0.912 1.506 ( 1.210 2.414 2.188) 3.475 1.657 ( 3.203 5.145 -1.455) 6.233 2.507 ( -1.947 -3.279 -0.314) 3.826 2.591 ( 5.579 9.846 3.732) 11.916 3.398 ( -0.917 -1.474 -1.743) 2.460 3.529 ( 1.363 2.265 -0.170) 2.649 3.851 ( 2.836 1.163 -8.582) 9.113 3.931 ( -2.271 -4.843 -0.369) 5.361 3.987 ( -1.887 -0.971 0.568) 2.196 4.098 ( -2.594 -4.023 0.344) 4.799 4.174 ( 0.498 -0.126 -0.543) 0.747 4.396 ( -3.550 -6.764 4.150) 8.694 4.659 ( -1.771 -0.144 -5.386) 5.671 4.908 ( -3.402 -5.313 0.092) 6.310 5.083 ( -3.156 -6.109 1.931) 7.143======================= Grid point 18 (11/288) =======================q-point: ( 0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.806 ( 8.690 10.949 2.462) 14.193 1.091 ( 8.157 12.313 0.390) 14.775 1.236 ( 5.150 5.395 -0.542) 7.478 1.320 ( 4.074 5.261 -1.742) 6.879 1.468 ( -0.948 -0.221 0.474) 1.083 1.504 ( 8.263 7.774 -1.578) 11.454 1.639 ( 5.998 6.537 2.088) 9.114 1.825 ( 9.437 10.044 0.833) 13.807 2.436 ( -1.731 -2.898 -1.343) 3.633 2.827 ( 8.969 10.209 3.209) 13.963 3.363 ( -1.029 -2.146 -1.026) 2.592 3.524 ( -2.848 -0.871 -0.408) 3.006 3.813 ( -5.685 -4.090 -0.405) 7.015 3.886 ( 1.336 -1.809 0.103) 2.251 3.927 ( -3.657 -1.611 -1.772) 4.371 4.005 ( -3.082 -4.606 0.185) 5.545 4.180 ( -0.922 -0.350 -1.378) 1.695 4.266 ( -3.270 -6.080 7.169) 9.953 4.596 ( -3.499 -1.788 -4.394) 5.894 4.781 ( -4.415 -5.667 -0.127) 7.185 4.957 ( -4.208 -6.379 1.813) 7.854======================= Grid point 19 (12/288) =======================q-point: ( 0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.042 ( 7.549 7.984 0.681) 11.009 1.284 ( 3.229 6.203 -0.882) 7.049 1.366 ( 3.760 3.508 2.433) 5.689 1.416 ( 2.487 6.014 0.055) 6.508 1.456 ( -0.051 1.863 0.205) 1.875 1.649 ( 2.938 1.119 -0.615) 3.203 1.757 ( 3.067 2.512 -0.031) 3.964 2.130 ( 10.637 9.837 -0.109) 14.489 2.421 ( 3.460 -0.751 -0.575) 3.587 3.079 ( 8.304 7.919 1.074) 11.525 3.297 ( -4.137 -3.179 0.361) 5.229 3.430 ( -6.321 -1.299 -0.786) 6.501 3.676 ( -4.609 -3.439 0.389) 5.764 3.799 ( -7.614 -3.441 -3.690) 9.134 3.860 ( -2.916 -1.899 3.209) 4.734 3.917 ( -1.385 -4.264 -0.942) 4.582 4.091 ( -3.354 -4.393 3.073) 6.324 4.242 ( 0.204 -1.496 4.943) 5.168 4.481 ( -6.145 -3.314 -1.918) 7.240 4.677 ( -1.006 -4.429 -1.100) 4.674 4.837 ( -2.905 -5.672 0.930) 6.440======================= Grid point 20 (13/288) =======================q-point: ( 0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.224 ( 5.685 5.487 -1.208) 7.993 1.323 ( -1.866 1.587 1.094) 2.682 1.441 ( -0.638 3.849 2.737) 4.766 1.461 ( -0.423 4.482 1.262) 4.676 1.563 ( 3.890 5.586 0.097) 6.808 1.637 ( -1.017 -2.057 -1.659) 2.832 1.828 ( 3.243 1.175 -0.288) 3.461 2.302 ( 3.445 2.225 -2.632) 4.873 2.541 ( 7.541 1.556 2.074) 7.974 3.120 ( -8.499 -2.087 -0.375) 8.759 3.254 ( -4.995 0.359 -0.510) 5.034 3.302 ( -1.300 2.295 -0.778) 2.750 3.589 ( -7.352 -3.548 -1.014) 8.226 3.643 ( -0.430 -1.798 2.012) 2.732 3.777 ( -4.618 -1.856 1.666) 5.248 3.884 ( 1.832 -2.610 -1.869) 3.695 4.027 ( -1.632 -1.657 2.730) 3.586 4.226 ( -0.237 -2.598 4.218) 4.960 4.340 ( -5.178 -3.421 -0.892) 6.270 4.648 ( 1.561 -3.585 0.075) 3.911 4.750 ( -1.289 -5.134 -0.311) 5.302======================= Grid point 21 (14/288) =======================q-point: ( 0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.250 ( -3.906 -0.528 0.112) 3.943 1.348 ( -3.894 5.962 -0.665) 7.152 1.430 ( 1.113 2.205 1.414) 2.846 1.514 ( -0.010 4.860 0.483) 4.884 1.633 ( 2.080 -1.026 0.125) 2.323 1.662 ( 1.885 3.916 0.055) 4.347 1.886 ( 2.434 0.676 -0.512) 2.577 2.331 ( 0.388 -0.750 -1.402) 1.637 2.640 ( 2.595 -0.438 1.425) 2.992 2.942 ( -10.108 0.634 -0.090) 10.128 3.087 ( -9.277 -0.380 -0.438) 9.295 3.336 ( -0.302 0.506 -1.146) 1.289 3.435 ( -6.348 0.127 -0.466) 6.366 3.654 ( -0.710 -2.678 1.216) 3.026 3.714 ( 0.561 0.047 1.911) 1.992 3.910 ( 3.598 -1.927 -2.083) 4.582 3.999 ( -1.449 0.015 1.971) 2.446 4.201 ( -0.821 -2.401 2.974) 3.909 4.273 ( 1.681 -2.701 -0.688) 3.255 4.640 ( 1.433 -3.892 1.092) 4.289 4.686 ( -0.306 -4.764 -1.027) 4.883======================= Grid point 22 (15/288) =======================q-point: ( 0.50 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.176 ( -3.170 0.212 0.163) 3.181 1.308 ( -6.245 8.007 0.147) 10.156 1.503 ( 3.015 0.488 -0.714) 3.136 1.548 ( -1.384 3.942 0.186) 4.182 1.651 ( 0.947 -1.160 0.658) 1.635 1.709 ( 0.013 2.387 0.089) 2.389 1.920 ( 1.153 0.085 -0.382) 1.218 2.318 ( -0.317 -0.555 -0.448) 0.780 2.650 ( -0.019 -0.626 0.517) 0.812 2.818 ( -6.904 4.915 0.519) 8.491 2.965 ( -4.987 1.769 -0.184) 5.295 3.315 ( -1.025 -0.111 -0.530) 1.159 3.378 ( -2.772 2.788 -0.706) 3.994 3.605 ( -1.517 -0.678 0.330) 1.694 3.748 ( 2.232 -1.770 1.452) 3.197 3.942 ( 1.979 -1.082 -1.629) 2.782 3.984 ( -0.126 -0.957 1.420) 1.717 4.179 ( 0.412 -1.866 0.672) 2.026 4.299 ( 3.461 -3.329 -0.048) 4.802 4.627 ( 1.514 -3.739 0.685) 4.091 4.644 ( 0.920 -4.034 -0.708) 4.197======================= Grid point 23 (16/288) =======================q-point: (-0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.176 ( 1.293 2.885 0.069) 3.162 1.308 ( -3.851 9.426 0.154) 10.183 1.507 ( -1.726 -2.350 0.391) 2.942 1.545 ( -2.801 3.094 -0.660) 4.226 1.648 ( 0.313 -1.517 -0.527) 1.636 1.710 ( -2.068 1.186 0.284) 2.401 1.921 ( -0.552 -0.873 -0.012) 1.033 2.320 ( 0.879 0.013 0.177) 0.896 2.648 ( 0.275 -0.329 -0.299) 0.522 2.819 ( -0.821 8.461 1.014) 8.561 2.965 ( 1.010 5.249 -0.147) 5.347 3.316 ( 0.774 0.870 -0.238) 1.189 3.378 ( -0.833 3.770 -0.742) 3.932 3.606 ( 1.321 0.933 0.652) 1.744 3.745 ( -0.032 -3.007 0.350) 3.027 3.949 ( 0.065 -1.178 1.178) 1.667 3.976 ( 0.766 -1.383 -1.376) 2.096 4.174 ( 0.990 -1.533 -1.171) 2.168 4.299 ( 1.165 -4.613 -0.057) 4.758 4.623 ( 2.228 -3.273 -0.697) 4.020 4.648 ( 3.275 -2.726 0.578) 4.300======================= Grid point 24 (17/288) =======================q-point: (-0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.248 ( 2.422 3.199 -0.587) 4.055 1.351 ( -2.877 7.042 0.308) 7.613 1.425 ( -3.599 -0.918 -0.365) 3.732 1.511 ( -4.105 2.403 -0.581) 4.792 1.632 ( 0.310 -2.023 -0.163) 2.053 1.662 ( -4.407 0.245 0.116) 4.416 1.887 ( -1.791 -1.732 0.172) 2.497 2.338 ( 0.923 -0.744 1.064) 1.593 2.633 ( -1.328 -2.367 -1.201) 2.968 2.945 ( 4.404 9.119 1.134) 10.190 3.089 ( 5.115 7.914 0.340) 9.430 3.339 ( 0.064 0.448 -0.103) 0.464 3.439 ( 3.482 5.549 0.951) 6.620 3.650 ( 1.910 -1.541 -0.368) 2.482 3.707 ( -0.373 0.037 -0.594) 0.703 3.920 ( -0.450 -3.566 1.781) 4.011 3.987 ( 0.871 0.821 -2.351) 2.638 4.184 ( 2.005 -0.931 -3.294) 3.967 4.276 ( 1.665 -2.445 0.597) 3.018 4.634 ( 2.674 -3.074 -1.005) 4.197 4.692 ( 4.295 -2.203 0.975) 4.924======================= Grid point 25 (18/288) =======================q-point: (-0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.232 ( -7.716 -2.564 1.559) 8.279 1.316 ( 0.024 1.830 -1.606) 2.435 1.426 ( -2.808 3.947 -2.542) 5.471 1.455 ( -4.427 2.210 -0.675) 4.994 1.562 ( -6.749 -0.678 -0.175) 6.785 1.646 ( 2.388 -0.237 1.506) 2.833 1.829 ( -2.733 -2.167 0.106) 3.489 2.317 ( -3.349 -1.935 2.643) 4.684 2.529 ( -5.283 -5.541 -2.427) 8.031 3.123 ( 6.039 6.404 0.778) 8.837 3.257 ( 1.987 4.077 0.749) 4.596 3.306 ( -1.260 2.147 0.770) 2.606 3.596 ( 5.443 2.234 1.176) 6.000 3.637 ( 3.732 2.225 0.191) 4.349 3.768 ( 3.426 2.850 -1.498) 4.702 3.893 ( 1.007 -2.457 1.563) 3.081 4.010 ( 2.233 0.035 -3.426) 4.089 4.203 ( 2.209 -0.948 -3.870) 4.555 4.343 ( 5.510 2.719 0.493) 6.165 4.649 ( 2.744 -2.886 0.215) 3.988 4.752 ( 4.826 -1.639 0.388) 5.112======================= Grid point 26 (19/288) =======================q-point: (-0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.042 ( -10.959 -3.135 0.903) 11.434 1.289 ( -6.354 0.371 0.852) 6.422 1.352 ( -5.095 -1.233 -2.816) 5.950 1.414 ( -5.663 1.558 -0.846) 5.934 1.455 ( -2.094 0.863 -0.039) 2.266 1.652 ( -2.522 -2.360 0.561) 3.499 1.757 ( -3.808 -1.250 -0.062) 4.008 2.133 ( -14.741 -4.806 1.094) 15.543 2.421 ( -0.331 -2.844 -0.653) 2.936 3.077 ( -11.571 -3.784 0.454) 12.183 3.295 ( 4.917 2.173 -0.531) 5.402 3.435 ( 4.417 4.599 0.917) 6.442 3.674 ( 5.545 2.717 -0.402) 6.188 3.826 ( 6.776 5.154 5.800) 10.301 3.841 ( 2.965 1.278 -3.530) 4.784 3.922 ( 3.968 -0.857 1.019) 4.185 4.071 ( 6.191 0.388 -4.128) 7.451 4.218 ( 0.627 -0.454 -3.716) 3.796 4.488 ( 6.550 3.807 0.660) 7.605 4.687 ( 4.541 -1.629 2.226) 5.313 4.832 ( 5.987 -0.339 -0.958) 6.073======================= Grid point 27 (20/288) =======================q-point: (-0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.799 ( -14.085 -2.645 0.171) 14.332 1.091 ( -15.115 -1.145 0.315) 15.161 1.236 ( -6.626 -1.637 -0.345) 6.834 1.325 ( -6.672 -0.398 0.033) 6.684 1.465 ( 0.602 0.951 -0.570) 1.262 1.510 ( -9.958 -3.247 0.454) 10.483 1.632 ( -9.724 -2.359 -0.144) 10.007 1.821 ( -13.110 -2.849 -0.461) 13.424 2.441 ( 3.324 0.052 0.297) 3.338 2.817 ( -13.699 -2.974 -0.473) 14.026 3.366 ( 2.676 0.017 0.034) 2.676 3.527 ( 2.084 1.730 0.611) 2.777 3.814 ( 6.201 3.257 -0.051) 7.005 3.876 ( 1.372 -0.221 -3.007) 3.313 3.944 ( 2.985 0.844 3.392) 4.597 4.005 ( 5.508 0.063 0.254) 5.514 4.188 ( 0.133 0.840 1.252) 1.514 4.231 ( 7.966 0.598 -4.909) 9.376 4.614 ( 4.151 1.743 2.022) 4.936 4.785 ( 6.970 0.237 1.278) 7.090 4.949 ( 7.408 0.782 -1.202) 7.546======================= Grid point 28 (21/288) =======================q-point: (-0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.522 ( -16.127 0.000 0.000) 16.127 0.780 ( -19.921 0.000 0.000) 19.921 1.034 ( -23.432 0.000 0.000) 23.432 1.116 ( -8.417 0.000 0.000) 8.417 1.286 ( -13.350 0.000 0.000) 13.350 1.482 ( 0.873 -0.000 -0.000) 0.873 1.500 ( -2.213 0.000 0.000) 2.213 1.661 ( -5.948 0.000 0.000) 5.948 2.507 ( 3.655 -0.000 -0.000) 3.655 2.580 ( -11.390 0.000 0.000) 11.390 3.403 ( 1.844 -0.000 -0.000) 1.844 3.530 ( -2.513 0.000 0.000) 2.513 3.876 ( -0.413 0.000 0.000) 0.413 3.932 ( 5.294 -0.000 -0.000) 5.294 3.985 ( 1.367 -0.000 -0.000) 1.367 4.097 ( 4.829 -0.000 -0.000) 4.829 4.176 ( -0.316 0.000 0.000) 0.316 4.383 ( 7.719 -0.000 -0.000) 7.719 4.674 ( 1.938 -0.000 -0.000) 1.938 4.908 ( 6.403 -0.000 -0.000) 6.403 5.078 ( 6.716 -0.000 -0.000) 6.716======================= Grid point 31 (22/288) =======================q-point: ( 0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.633 ( 0.000 15.885 5.672) 16.867 0.876 ( 0.000 17.608 1.793) 17.699 1.146 ( 0.000 7.185 -0.492) 7.202 1.151 ( 0.000 18.079 -1.807) 18.169 1.353 ( 0.000 13.605 -3.354) 14.013 1.467 ( -0.000 -1.470 -0.390) 1.521 1.540 ( -0.000 6.944 3.917) 7.973 1.687 ( 0.000 7.168 -1.953) 7.430 2.487 ( -0.000 -3.842 -0.785) 3.921 2.666 ( -0.000 12.870 4.952) 13.790 3.394 ( 0.000 -1.778 -2.028) 2.697 3.529 ( 0.000 1.176 0.180) 1.190 3.818 ( 0.000 1.216 -9.515) 9.592 3.883 ( -0.000 -6.718 -0.865) 6.773 3.999 ( -0.000 -1.263 1.174) 1.724 4.084 ( -0.000 -4.855 0.404) 4.872 4.161 ( 0.000 0.455 -1.108) 1.198 4.355 ( -0.000 -8.962 3.887) 9.768 4.662 ( 0.000 -1.934 -2.109) 2.862 4.888 ( -0.000 -5.277 0.906) 5.355 5.044 ( -0.000 -7.685 1.221) 7.782======================= Grid point 32 (23/288) =======================q-point: ( 0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.830 ( 3.822 13.810 5.496) 15.347 1.102 ( 6.277 13.963 1.562) 15.388 1.221 ( 1.655 5.310 -2.475) 6.088 1.307 ( 4.013 5.922 -2.977) 7.748 1.461 ( 0.859 -0.971 -0.159) 1.306 1.498 ( 2.701 10.800 -2.016) 11.313 1.654 ( 1.669 8.056 3.138) 8.805 1.821 ( 4.737 14.332 0.617) 15.108 2.433 ( -1.681 -3.349 -1.840) 4.175 2.842 ( 3.795 13.349 4.874) 14.709 3.355 ( -1.056 -2.369 -1.913) 3.223 3.534 ( 0.045 -2.270 0.647) 2.361 3.809 ( 0.112 -6.670 -0.716) 6.710 3.832 ( 1.337 -1.157 -4.090) 4.456 3.963 ( -2.476 -1.713 0.552) 3.061 4.013 ( -2.345 -4.508 0.952) 5.170 4.176 ( 0.565 0.506 -1.854) 2.003 4.243 ( -2.101 -9.936 4.685) 11.185 4.612 ( -1.744 -4.050 -1.939) 4.817 4.805 ( -4.057 -4.687 1.957) 6.500 4.945 ( -2.418 -7.783 0.452) 8.163======================= Grid point 33 (24/288) =======================q-point: ( 0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.034 ( 4.515 10.533 3.982) 12.132 1.285 ( 2.809 3.845 -2.506) 5.381 1.342 ( 6.085 8.633 1.747) 10.706 1.426 ( 3.950 6.033 -1.347) 7.335 1.472 ( 0.438 0.758 0.237) 0.907 1.617 ( 2.295 3.716 -0.009) 4.368 1.744 ( 1.984 3.712 -0.241) 4.216 2.094 ( 7.623 14.955 1.698) 16.871 2.374 ( -0.546 -2.379 -2.528) 3.514 3.055 ( 5.465 11.070 3.375) 12.799 3.314 ( -0.839 -2.500 -0.796) 2.754 3.478 ( -2.759 -3.665 0.497) 4.614 3.727 ( -2.920 -4.613 -1.637) 5.699 3.814 ( -0.738 -4.293 -0.295) 4.366 3.887 ( -2.983 -3.164 -1.492) 4.598 3.932 ( -4.003 -2.125 1.940) 4.930 4.084 ( -2.650 -8.813 3.802) 9.957 4.217 ( 1.643 -1.419 1.689) 2.751 4.524 ( -2.816 -4.723 -2.505) 6.042 4.678 ( -5.180 -4.462 2.113) 7.156 4.823 ( -3.031 -7.118 0.019) 7.736======================= Grid point 34 (25/288) =======================q-point: ( 0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.202 ( 4.134 7.583 1.698) 8.802 1.356 ( 1.515 2.093 1.117) 2.815 1.478 ( 0.982 3.876 -0.684) 4.057 1.501 ( 1.664 5.088 0.617) 5.389 1.565 ( 3.817 7.120 0.562) 8.098 1.644 ( -0.774 -0.604 -0.053) 0.983 1.795 ( 1.575 1.509 -0.793) 2.321 2.291 ( 1.080 5.696 -2.133) 6.178 2.419 ( 8.043 1.645 0.882) 8.256 3.215 ( -1.265 3.470 -0.119) 3.695 3.269 ( 0.302 2.041 1.286) 2.431 3.399 ( -3.437 -1.792 0.387) 3.896 3.619 ( -4.498 -2.301 0.435) 5.071 3.709 ( -5.495 -5.307 -0.375) 7.649 3.820 ( -0.733 -2.663 -2.413) 3.668 3.833 ( -3.551 -3.243 0.691) 4.858 4.009 ( 0.740 -5.000 4.278) 6.622 4.211 ( -0.444 -3.118 3.227) 4.509 4.405 ( -5.708 -3.961 -1.421) 7.091 4.583 ( -0.371 -4.698 0.783) 4.777 4.710 ( -1.805 -7.057 -0.272) 7.289======================= Grid point 35 (26/288) =======================q-point: ( 0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.315 ( -0.834 3.655 -0.926) 3.862 1.368 ( 0.566 2.181 2.259) 3.191 1.527 ( 1.874 1.828 0.776) 2.731 1.573 ( -2.468 4.593 0.685) 5.259 1.601 ( -0.991 3.002 -1.104) 3.348 1.682 ( 1.538 5.569 0.491) 5.798 1.844 ( 2.941 0.845 -0.684) 3.136 2.323 ( 0.284 1.433 -1.238) 1.915 2.567 ( 5.788 0.803 0.668) 5.881 3.113 ( -8.120 1.565 -0.219) 8.273 3.277 ( -10.241 2.290 -0.285) 10.497 3.346 ( 0.832 1.903 0.006) 2.076 3.541 ( -5.268 -1.301 0.433) 5.444 3.599 ( 1.070 -3.615 2.358) 4.447 3.745 ( -3.115 -1.983 0.785) 3.776 3.819 ( 3.173 -2.264 -3.795) 5.440 4.004 ( 1.222 -2.049 2.817) 3.692 4.169 ( 0.016 -4.597 3.615) 5.848 4.268 ( -4.917 -3.571 -1.142) 6.183 4.557 ( 2.251 -5.526 0.714) 6.010 4.623 ( 0.045 -7.232 -0.638) 7.260======================= Grid point 36 (27/288) =======================q-point: ( 0.50 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.251 ( -4.924 0.520 -0.305) 4.961 1.448 ( 3.187 1.940 -0.216) 3.737 1.526 ( -6.768 8.627 0.017) 10.965 1.583 ( 2.568 -1.089 0.686) 2.872 1.644 ( -0.877 4.359 0.830) 4.523 1.740 ( 0.014 3.687 0.047) 3.687 1.896 ( 1.983 0.652 -0.699) 2.201 2.334 ( -0.832 2.089 -0.244) 2.262 2.631 ( 1.874 -0.292 0.112) 1.900 3.011 ( -7.626 5.992 0.380) 9.705 3.121 ( -10.075 3.764 -0.116) 10.756 3.347 ( -1.821 1.129 -0.524) 2.206 3.464 ( -3.878 2.393 -0.035) 4.557 3.602 ( 1.282 -3.340 1.535) 3.893 3.702 ( 0.082 -1.575 1.095) 1.920 3.860 ( 4.359 -1.674 -3.535) 5.857 3.994 ( -1.223 -1.635 2.488) 3.219 4.149 ( 1.254 -4.156 2.483) 5.001 4.187 ( 1.769 -5.516 -1.253) 5.927 4.541 ( 2.558 -6.071 0.758) 6.632 4.566 ( 1.525 -6.760 -0.778) 6.973======================= Grid point 37 (28/288) =======================q-point: (-0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.207 ( -1.391 2.653 0.149) 2.999 1.489 ( 0.331 -0.079 -0.417) 0.539 1.511 ( -5.608 9.745 0.180) 11.245 1.598 ( 0.675 -1.891 -0.319) 2.033 1.653 ( -2.475 3.682 0.377) 4.452 1.759 ( -1.364 2.451 0.257) 2.817 1.917 ( 0.351 -0.222 -0.255) 0.488 2.337 ( -1.594 2.757 -0.062) 3.185 2.644 ( 0.028 -0.102 -0.192) 0.219 2.979 ( -5.946 10.335 1.177) 11.981 3.045 ( -3.439 6.114 -0.037) 7.015 3.332 ( -1.077 1.900 -0.718) 2.299 3.442 ( -2.400 3.837 -1.195) 4.681 3.593 ( 0.807 -1.551 1.165) 2.101 3.700 ( 1.330 -2.659 1.222) 3.214 3.914 ( 3.943 -0.966 -3.362) 5.271 3.949 ( -1.439 -3.117 2.887) 4.485 4.129 ( 1.126 -3.051 -0.615) 3.310 4.189 ( 4.457 -7.388 0.239) 8.632 4.531 ( 2.942 -5.752 -0.165) 6.463 4.545 ( 3.621 -5.634 -0.009) 6.697======================= Grid point 38 (29/288) =======================q-point: (-0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.253 ( 1.770 4.756 0.199) 5.079 1.452 ( -3.164 -2.340 0.391) 3.954 1.525 ( -4.406 9.966 -0.183) 10.899 1.573 ( -0.348 -2.455 -0.994) 2.671 1.639 ( -3.242 3.115 0.046) 4.496 1.740 ( -3.305 1.655 0.124) 3.698 1.900 ( -1.480 -1.234 0.119) 1.930 2.335 ( -1.039 1.594 -0.066) 1.904 2.629 ( -0.972 -1.514 -0.238) 1.815 3.016 ( -1.210 9.544 1.322) 9.711 3.124 ( 1.818 10.840 0.465) 11.002 3.344 ( 0.117 1.617 -1.245) 2.044 3.459 ( 0.324 4.390 -0.708) 4.458 3.598 ( 1.565 -3.298 0.805) 3.738 3.700 ( 0.823 -0.414 0.606) 1.102 3.897 ( -0.736 -4.095 2.779) 5.004 3.961 ( 2.177 0.079 -2.981) 3.692 4.120 ( 2.133 -4.345 -2.651) 5.519 4.199 ( 3.969 -3.374 0.983) 5.301 4.534 ( 3.736 -5.103 -0.591) 6.352 4.573 ( 5.344 -4.833 0.439) 7.219======================= Grid point 39 (30/288) =======================q-point: (-0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.321 ( -1.433 3.389 -0.065) 3.680 1.352 ( -4.447 -1.192 -0.387) 4.621 1.517 ( -2.553 0.987 -0.986) 2.910 1.565 ( -3.009 3.647 -0.482) 4.753 1.616 ( -1.300 2.666 1.434) 3.294 1.676 ( -5.768 0.941 -0.606) 5.876 1.850 ( -2.192 -1.916 0.296) 2.926 2.333 ( -0.340 0.309 0.468) 0.656 2.560 ( -4.365 -4.200 -0.570) 6.084 3.121 ( 2.612 7.838 1.281) 8.360 3.282 ( 3.018 9.820 0.597) 10.290 3.341 ( -1.312 -0.583 -1.070) 1.791 3.544 ( 3.360 2.350 1.131) 4.253 3.586 ( 3.049 -1.040 -0.116) 3.224 3.738 ( 2.720 1.678 -0.426) 3.224 3.858 ( 0.065 -3.032 3.088) 4.328 3.965 ( 0.724 -2.652 -3.673) 4.588 4.131 ( 3.879 -1.930 -2.929) 5.230 4.277 ( 5.338 2.233 0.609) 5.819 4.552 ( 3.886 -4.410 -0.116) 5.879 4.629 ( 6.164 -3.923 0.354) 7.315======================= Grid point 40 (31/288) =======================q-point: (-0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.195 ( -8.974 -1.205 0.584) 9.074 1.341 ( -1.815 1.115 -1.601) 2.665 1.483 ( -3.468 1.535 0.219) 3.799 1.497 ( -6.549 1.601 0.139) 6.743 1.558 ( -7.545 0.136 -0.719) 7.581 1.646 ( 0.789 -0.358 0.265) 0.907 1.801 ( -2.242 -0.453 0.288) 2.305 2.316 ( -6.035 1.603 2.143) 6.602 2.403 ( -4.699 -5.676 -1.974) 7.628 3.222 ( -4.336 1.714 1.143) 4.801 3.260 ( -0.689 1.093 -0.557) 1.407 3.396 ( 3.559 1.261 -0.146) 3.779 3.617 ( 4.786 3.993 -0.076) 6.233 3.723 ( 7.942 -0.143 1.492) 8.082 3.819 ( 3.925 3.783 -0.567) 5.481 3.863 ( 2.024 -0.437 4.161) 4.648 3.953 ( 3.791 -4.165 -5.350) 7.768 4.183 ( 2.866 0.089 -1.727) 3.347 4.412 ( 6.564 3.251 -0.153) 7.327 4.585 ( 4.512 -3.028 1.030) 5.530 4.710 ( 6.693 -1.772 -0.202) 6.926======================= Grid point 41 (32/288) =======================q-point: (-0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.012 ( -11.783 0.000 0.000) 11.783 1.304 ( -2.791 0.000 0.000) 2.791 1.327 ( -12.207 0.000 0.000) 12.207 1.434 ( -6.838 0.000 0.000) 6.838 1.470 ( -0.720 0.000 0.000) 0.720 1.617 ( -4.078 0.000 0.000) 4.078 1.745 ( -4.654 0.000 0.000) 4.654 2.084 ( -17.131 0.000 0.000) 17.131 2.388 ( 2.409 -0.000 -0.000) 2.409 3.036 ( -12.967 0.000 0.000) 12.967 3.318 ( 2.906 -0.000 -0.000) 2.906 3.476 ( 4.683 -0.000 -0.000) 4.683 3.737 ( 5.604 -0.000 -0.000) 5.604 3.818 ( 4.378 -0.000 -0.000) 4.378 3.911 ( 5.060 -0.000 -0.000) 5.060 3.913 ( 1.859 -0.000 -0.000) 1.859 4.052 ( 10.187 -0.000 -0.000) 10.187 4.208 ( 0.142 -0.000 -0.000) 0.142 4.540 ( 5.945 -0.000 -0.000) 5.945 4.665 ( 6.514 -0.000 -0.000) 6.514 4.822 ( 7.297 -0.000 -0.000) 7.297======================= Grid point 46 (33/288) =======================q-point: ( 0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.949 ( -0.000 13.448 6.862) 15.098 1.175 ( 0.000 11.862 1.711) 11.985 1.277 ( 0.000 5.951 -1.703) 6.190 1.284 ( 0.000 1.654 -6.037) 6.260 1.439 ( -0.000 -0.857 0.246) 0.892 1.583 ( 0.000 9.851 -2.009) 10.054 1.713 ( 0.000 4.654 1.426) 4.868 1.958 ( 0.000 19.515 3.133) 19.765 2.417 ( 0.000 -2.100 -2.991) 3.655 2.962 ( -0.000 14.332 5.338) 15.294 3.334 ( 0.000 -3.780 -2.138) 4.343 3.491 ( -0.000 -5.391 0.822) 5.453 3.738 ( -0.000 -7.187 -0.455) 7.201 3.798 ( 0.000 -0.880 -2.577) 2.723 3.965 ( -0.000 -2.938 2.031) 3.572 3.985 ( -0.000 -4.620 -0.253) 4.627 4.159 ( -0.000 -10.917 1.948) 11.090 4.182 ( 0.000 0.810 -0.187) 0.831 4.566 ( -0.000 -7.010 -0.568) 7.032 4.809 ( -0.000 -3.823 3.382) 5.105 4.893 ( -0.000 -6.509 -1.330) 6.643======================= Grid point 47 (34/288) =======================q-point: ( 0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.101 ( 1.734 11.145 6.463) 12.999 1.265 ( 0.703 1.185 -4.099) 4.324 1.337 ( 5.293 8.593 1.351) 10.182 1.384 ( 4.961 3.186 -2.346) 6.346 1.459 ( 1.861 1.910 0.340) 2.688 1.651 ( -0.683 4.355 -0.818) 4.484 1.757 ( 0.720 3.345 0.163) 3.425 2.173 ( 2.467 16.608 3.342) 17.120 2.381 ( -1.940 -0.060 -3.908) 4.363 3.120 ( 1.713 11.803 4.234) 12.656 3.281 ( -0.137 -4.669 -1.162) 4.814 3.446 ( 1.326 -6.611 0.270) 6.748 3.668 ( -0.037 -6.374 -0.258) 6.380 3.793 ( 0.385 -1.910 -0.842) 2.123 3.901 ( -2.634 -5.346 0.885) 6.025 3.953 ( 0.317 -2.748 2.769) 3.914 4.033 ( -2.615 -9.569 0.612) 9.939 4.189 ( 0.261 -0.326 0.056) 0.422 4.484 ( -0.761 -7.426 -0.687) 7.497 4.737 ( -4.126 -4.141 3.405) 6.765 4.812 ( -2.943 -4.433 -1.700) 5.586======================= Grid point 48 (35/288) =======================q-point: ( 0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.240 ( 1.694 8.502 4.650) 9.838 1.312 ( 4.197 0.956 -1.608) 4.595 1.473 ( 3.030 0.944 -1.136) 3.371 1.515 ( 4.549 6.579 1.377) 8.116 1.547 ( 4.454 5.025 -0.460) 6.730 1.649 ( -0.592 -0.144 0.049) 0.611 1.798 ( 0.423 2.354 -0.568) 2.458 2.330 ( 1.315 -0.368 -1.807) 2.265 2.377 ( 0.372 11.646 0.426) 11.660 3.246 ( 2.740 -3.084 0.410) 4.146 3.260 ( 1.027 6.007 1.450) 6.264 3.400 ( -0.071 -4.258 0.763) 4.326 3.618 ( 0.657 -4.920 0.272) 4.971 3.732 ( -4.496 -4.504 0.188) 6.367 3.808 ( -1.247 -4.281 -1.397) 4.673 3.896 ( -5.015 -4.457 -0.800) 6.757 3.945 ( 0.829 -2.655 4.520) 5.307 4.182 ( 0.404 -2.978 1.660) 3.433 4.400 ( -0.872 -6.477 -1.126) 6.631 4.616 ( -5.810 -3.196 2.529) 7.097 4.698 ( -4.543 -4.752 -1.326) 6.707======================= Grid point 49 (36/288) =======================q-point: ( 0.43 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.345 ( 1.737 5.787 2.180) 6.423 1.398 ( 2.760 1.690 1.293) 3.485 1.467 ( -1.378 -2.882 -1.618) 3.581 1.618 ( 2.490 3.822 0.644) 4.606 1.659 ( 1.652 4.376 -0.928) 4.769 1.699 ( 3.254 4.386 1.382) 5.633 1.819 ( 0.649 1.733 -1.086) 2.146 2.335 ( 0.780 1.270 -1.156) 1.886 2.505 ( 3.228 5.129 0.146) 6.062 3.226 ( -2.399 -0.209 -0.650) 2.495 3.324 ( 2.169 -0.660 1.511) 2.724 3.395 ( 0.119 1.943 1.171) 2.272 3.577 ( -1.029 -5.557 0.188) 5.655 3.596 ( -5.215 -2.072 1.593) 5.834 3.753 ( -0.948 -3.944 -2.015) 4.529 3.792 ( -2.794 -0.091 -2.352) 3.653 3.944 ( 1.344 -2.468 3.435) 4.438 4.144 ( -0.861 -4.866 3.199) 5.887 4.310 ( -3.286 -5.121 -1.040) 6.173 4.507 ( -2.957 -3.427 1.227) 4.690 4.572 ( -3.220 -6.236 -0.835) 7.068======================= Grid point 50 (37/288) =======================q-point: ( 0.50 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.345 ( -5.648 -0.400 -1.065) 5.762 1.422 ( 1.946 2.483 0.971) 3.301 1.495 ( 4.685 -2.091 1.096) 5.246 1.683 ( -1.360 5.737 0.374) 5.908 1.703 ( -0.515 4.402 -0.286) 4.442 1.772 ( 0.781 3.079 0.585) 3.230 1.867 ( 2.299 1.829 -0.948) 3.087 2.377 ( 0.500 4.585 -0.065) 4.612 2.589 ( 3.031 1.541 -0.397) 3.423 3.175 ( -5.094 4.454 0.121) 6.768 3.333 ( -5.527 2.829 -0.168) 6.211 3.378 ( -2.129 1.497 1.165) 2.851 3.513 ( 1.904 -4.473 0.208) 4.866 3.541 ( -2.012 0.002 2.129) 2.929 3.701 ( -0.827 -2.332 -0.655) 2.559 3.784 ( 1.622 -0.121 -3.738) 4.077 3.960 ( 2.995 -3.127 1.603) 4.617 4.071 ( -1.401 -6.535 3.516) 7.552 4.186 ( -4.688 -4.437 -0.819) 6.507 4.450 ( 0.586 -5.066 0.465) 5.121 4.476 ( -0.037 -6.915 -0.483) 6.932======================= Grid point 51 (38/288) =======================q-point: ( 0.57 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.266 ( -3.028 1.133 -0.499) 3.271 1.464 ( 1.161 0.193 0.158) 1.188 1.537 ( 2.608 -2.869 0.433) 3.902 1.694 ( -3.928 7.195 -0.279) 8.202 1.732 ( -1.326 3.272 0.791) 3.618 1.800 ( -0.547 2.449 0.046) 2.509 1.906 ( 1.003 0.479 -0.540) 1.236 2.422 ( -2.199 6.520 0.061) 6.881 2.638 ( 1.207 0.883 -0.379) 1.543 3.162 ( -3.456 8.025 0.702) 8.766 3.227 ( -9.786 7.240 0.173) 12.174 3.378 ( -1.315 1.978 -0.345) 2.400 3.510 ( 0.116 -0.810 -1.247) 1.491 3.535 ( 0.879 -1.177 2.953) 3.298 3.677 ( -0.001 -0.979 0.071) 0.982 3.821 ( 4.139 -1.013 -3.724) 5.660 3.949 ( -1.759 -3.753 2.172) 4.679 4.021 ( 4.873 -8.843 0.995) 10.146 4.089 ( -1.018 -3.894 -0.110) 4.026 4.422 ( 2.401 -5.728 0.170) 6.213 4.431 ( 2.283 -6.196 -0.343) 6.612======================= Grid point 52 (39/288) =======================q-point: (-0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.273 ( 1.031 3.678 0.281) 3.830 1.463 ( -0.768 -1.190 0.025) 1.417 1.527 ( 0.370 -4.124 -0.669) 4.194 1.696 ( -4.194 6.956 -0.091) 8.123 1.728 ( -2.424 2.988 0.433) 3.872 1.800 ( -1.895 1.392 -0.004) 2.352 1.912 ( -0.485 -0.307 0.085) 0.580 2.420 ( -4.691 5.095 -0.140) 6.927 2.640 ( -1.214 -0.446 -0.258) 1.318 3.160 ( -4.850 7.063 0.592) 8.588 3.235 ( -1.371 12.290 1.035) 12.410 3.366 ( -1.587 0.836 -1.608) 2.409 3.502 ( -0.240 0.996 -0.779) 1.287 3.536 ( 0.566 -2.681 1.707) 3.228 3.681 ( 1.037 -0.308 0.542) 1.210 3.865 ( 1.096 -2.769 -0.764) 3.075 3.909 ( 2.653 -1.184 -0.053) 2.905 4.004 ( 3.142 -8.652 -1.008) 9.260 4.097 ( 4.728 -1.483 0.745) 5.011 4.419 ( 3.453 -4.868 -0.262) 5.974 4.434 ( 4.512 -5.137 0.020) 6.837======================= Grid point 53 (40/288) =======================q-point: (-0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.357 ( 2.498 5.311 0.399) 5.883 1.415 ( -3.618 -0.926 0.213) 3.741 1.478 ( 0.163 -5.273 -0.927) 5.356 1.672 ( -4.515 3.312 -0.616) 5.633 1.719 ( -3.179 3.953 1.396) 5.261 1.762 ( -3.413 0.075 -0.686) 3.482 1.877 ( -2.666 -0.934 0.144) 2.828 2.376 ( -3.876 1.908 -0.223) 4.326 2.593 ( -2.946 -1.582 0.025) 3.344 3.186 ( -0.982 6.997 1.353) 7.194 3.323 ( -0.453 -0.540 -1.576) 1.726 3.361 ( 0.690 7.842 -0.133) 7.874 3.512 ( 1.711 -4.695 0.536) 5.026 3.534 ( 1.535 2.704 0.686) 3.184 3.703 ( 2.028 -0.228 -0.222) 2.053 3.843 ( -0.140 -1.503 2.038) 2.536 3.923 ( -0.094 -3.449 -1.914) 3.945 4.021 ( 6.195 -1.854 -1.636) 6.670 4.198 ( 6.337 1.262 0.595) 6.488 4.445 ( 3.957 -2.773 -0.121) 4.833 4.480 ( 6.180 -3.625 0.038) 7.165======================= Grid point 54 (41/288) =======================q-point: (-0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.323 ( -6.505 0.000 0.000) 6.505 1.388 ( -2.592 0.000 0.000) 2.592 1.482 ( 3.110 -0.000 -0.000) 3.110 1.612 ( -4.285 0.000 0.000) 4.285 1.676 ( -6.060 0.000 0.000) 6.060 1.677 ( -4.495 0.000 0.000) 4.495 1.830 ( -1.807 0.000 0.000) 1.807 2.346 ( -0.443 0.000 0.000) 0.443 2.503 ( -6.739 0.000 0.000) 6.739 3.235 ( 1.257 -0.000 -0.000) 1.257 3.306 ( 0.022 -0.000 -0.000) 0.022 3.384 ( -2.482 0.000 0.000) 2.482 3.576 ( 7.447 -0.000 -0.000) 7.447 3.584 ( 2.736 -0.000 -0.000) 2.736 3.761 ( 4.602 -0.000 -0.000) 4.602 3.845 ( 1.002 -0.000 -0.000) 1.002 3.889 ( -0.427 0.000 0.000) 0.427 4.114 ( 5.022 -0.000 -0.000) 5.022 4.318 ( 6.428 -0.000 -0.000) 6.428 4.496 ( 3.881 -0.000 -0.000) 3.881 4.579 ( 7.166 -0.000 -0.000) 7.166======================= Grid point 61 (42/288) =======================q-point: ( 0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.197 ( -0.000 7.999 5.129) 9.503 1.288 ( 0.000 2.415 -3.462) 4.221 1.303 ( 0.000 0.531 -0.698) 0.877 1.381 ( 0.000 4.584 0.697) 4.637 1.477 ( 0.000 5.446 0.095) 5.447 1.683 ( 0.000 0.099 -1.040) 1.044 1.788 ( 0.000 4.118 0.046) 4.118 2.303 ( 0.000 9.412 1.986) 9.619 2.420 ( 0.000 6.662 -2.586) 7.146 3.185 ( -0.000 -1.814 0.956) 2.050 3.259 ( -0.000 3.303 1.510) 3.632 3.337 ( -0.000 -9.576 -0.275) 9.580 3.627 ( -0.000 -2.593 0.158) 2.598 3.769 ( -0.000 -1.939 1.390) 2.386 3.834 ( -0.000 -12.888 3.862) 13.454 3.920 ( 0.000 -1.451 -0.689) 1.606 3.999 ( -0.000 -3.154 -0.796) 3.253 4.187 ( -0.000 -0.922 0.458) 1.030 4.418 ( -0.000 -6.937 0.091) 6.938 4.730 ( -0.000 -4.408 1.848) 4.780 4.812 ( 0.000 -2.103 -0.841) 2.265======================= Grid point 62 (43/288) =======================q-point: ( 0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.254 ( 2.143 0.276 -1.475) 2.617 1.313 ( 0.671 6.049 3.816) 7.184 1.390 ( 5.840 1.118 -0.353) 5.957 1.463 ( 4.979 2.819 1.005) 5.810 1.557 ( 1.951 6.414 -0.242) 6.708 1.654 ( -1.331 -2.232 -1.082) 2.815 1.825 ( -0.225 3.212 -0.285) 3.232 2.333 ( -1.117 0.887 -2.133) 2.566 2.504 ( -1.311 10.307 1.343) 10.477 3.145 ( 2.458 -7.167 0.611) 7.601 3.270 ( 3.333 -6.498 0.066) 7.303 3.308 ( 1.202 -0.938 -0.615) 1.644 3.616 ( -1.522 2.212 2.629) 3.758 3.706 ( -0.239 -12.472 1.510) 12.566 3.755 ( 0.528 -2.803 1.271) 3.122 3.897 ( -1.784 -1.073 -1.540) 2.589 3.972 ( -0.947 0.338 0.899) 1.349 4.165 ( -0.917 -2.181 1.131) 2.622 4.350 ( -0.864 -5.353 0.093) 5.423 4.667 ( -3.321 -3.112 1.238) 4.717 4.752 ( -4.371 -2.291 -0.624) 4.974======================= Grid point 63 (44/288) =======================q-point: ( 0.43 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.309 ( 4.596 -1.264 -0.657) 4.812 1.392 ( 0.769 4.758 3.349) 5.869 1.494 ( 2.034 2.070 -0.654) 2.975 1.561 ( 3.540 -1.132 -0.037) 3.717 1.634 ( 4.899 2.344 -0.427) 5.448 1.671 ( 3.170 3.806 0.632) 4.994 1.842 ( -0.578 2.423 -0.805) 2.618 2.321 ( 0.414 0.318 -1.257) 1.361 2.560 ( -1.552 6.060 0.604) 6.285 3.148 ( 5.015 -5.290 0.377) 7.299 3.288 ( 5.856 -7.176 -0.434) 9.272 3.316 ( 2.068 -1.144 0.051) 2.364 3.596 ( -1.766 -6.107 -0.021) 6.357 3.613 ( -1.839 0.535 4.645) 5.024 3.727 ( -0.792 -2.420 -1.028) 2.745 3.838 ( -3.211 -0.230 -3.417) 4.695 3.968 ( -1.911 1.956 2.547) 3.736 4.119 ( -1.451 -3.530 2.300) 4.456 4.282 ( -1.214 -4.859 -0.251) 5.015 4.564 ( -5.404 -2.495 1.098) 6.053 4.624 ( -7.021 -2.832 -0.804) 7.613======================= Grid point 64 (45/288) =======================q-point: ( 0.50 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.350 ( 2.424 -4.696 -1.193) 5.418 1.439 ( 0.837 1.736 1.205) 2.273 1.471 ( -3.320 3.542 1.050) 4.967 1.667 ( 5.999 1.589 0.141) 6.207 1.740 ( 2.384 2.764 -0.803) 3.738 1.758 ( 3.227 1.660 1.370) 3.879 1.864 ( 0.557 2.845 -1.060) 3.086 2.372 ( 4.072 2.665 -0.029) 4.866 2.587 ( -0.141 3.170 -0.388) 3.197 3.205 ( 5.068 -1.617 -0.285) 5.327 3.311 ( 2.066 -0.738 0.885) 2.365 3.372 ( 6.706 -4.623 0.716) 8.177 3.514 ( -4.255 -0.199 -0.275) 4.269 3.585 ( -1.882 -1.059 3.345) 3.982 3.686 ( -1.308 -1.129 -1.706) 2.428 3.786 ( -1.774 0.093 -3.885) 4.272 3.944 ( -3.086 1.102 1.620) 3.655 4.051 ( -2.228 -5.093 3.362) 6.497 4.201 ( -2.602 -5.472 -0.458) 6.077 4.450 ( -4.650 -2.652 0.534) 5.380 4.474 ( -6.059 -3.263 -0.528) 6.902======================= Grid point 65 (46/288) =======================q-point: ( 0.57 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.307 ( -1.415 -2.125 -1.145) 2.798 1.464 ( -0.360 1.418 0.270) 1.488 1.480 ( 1.405 -0.251 1.386) 1.989 1.754 ( 1.716 1.710 0.297) 2.441 1.775 ( -0.328 2.152 -0.430) 2.218 1.818 ( 1.884 2.115 0.584) 2.891 1.896 ( 0.459 1.007 -0.788) 1.358 2.488 ( 3.425 5.645 0.077) 6.603 2.623 ( 1.188 1.614 -0.319) 2.029 3.267 ( 0.531 3.841 -0.015) 3.877 3.360 ( 3.317 0.374 1.630) 3.714 3.432 ( 3.346 -2.598 -0.083) 4.237 3.445 ( -5.851 4.383 -0.336) 7.318 3.553 ( -0.355 -0.213 1.584) 1.637 3.663 ( -0.207 -1.072 -0.917) 1.426 3.765 ( 0.710 -1.050 -3.158) 3.403 3.903 ( -0.678 -2.646 0.728) 2.826 3.954 ( -3.330 -5.391 2.218) 6.713 4.090 ( -3.441 -4.669 0.099) 5.801 4.367 ( -1.461 -3.535 -0.096) 3.826 4.370 ( -2.051 -3.068 -0.000) 3.690======================= Grid point 66 (47/288) =======================q-point: (-0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.286 ( 0.174 0.788 -0.252) 0.846 1.465 ( -0.250 -0.015 0.244) 0.350 1.489 ( 0.304 -1.664 0.029) 1.692 1.773 ( -0.872 0.972 0.180) 1.318 1.782 ( -0.554 1.612 -0.060) 1.706 1.850 ( -1.849 2.527 0.013) 3.132 1.903 ( 0.986 -0.703 -0.110) 1.216 2.555 ( -3.305 5.690 -0.038) 6.580 2.642 ( 0.711 -1.046 -0.151) 1.274 3.291 ( -3.203 5.416 0.296) 6.299 3.396 ( -2.094 -2.363 -0.881) 3.278 3.405 ( -1.667 4.987 -0.493) 5.282 3.445 ( -0.053 3.794 2.527) 4.558 3.577 ( -1.810 0.771 -0.082) 1.969 3.638 ( 2.522 -3.972 -0.307) 4.715 3.790 ( 4.542 -0.907 -2.801) 5.413 3.856 ( -0.376 -4.255 2.297) 4.850 3.896 ( 1.226 -2.958 -0.345) 3.221 4.029 ( 0.834 -1.872 0.382) 2.085 4.335 ( 1.439 -2.521 -0.074) 2.904 4.340 ( 1.539 -2.552 -0.056) 2.980======================= Grid point 67 (48/288) =======================q-point: (-0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.325 ( 3.317 -0.000 -0.000) 3.317 1.456 ( -1.196 0.000 0.000) 1.196 1.464 ( -1.496 0.000 0.000) 1.496 1.750 ( -2.563 0.000 0.000) 2.563 1.781 ( -1.033 0.000 0.000) 1.033 1.809 ( -3.402 0.000 0.000) 3.402 1.907 ( -0.772 0.000 0.000) 0.772 2.487 ( -6.731 0.000 0.000) 6.731 2.628 ( -1.714 0.000 0.000) 1.714 3.272 ( -3.146 0.000 0.000) 3.146 3.327 ( -2.492 0.000 0.000) 2.492 3.443 ( -0.123 0.000 0.000) 0.123 3.446 ( -1.148 0.000 0.000) 1.148 3.531 ( 0.238 -0.000 -0.000) 0.238 3.672 ( 1.677 -0.000 -0.000) 1.677 3.836 ( 0.197 -0.000 -0.000) 0.197 3.888 ( 6.060 -0.000 -0.000) 6.060 3.900 ( 1.853 -0.000 -0.000) 1.853 4.090 ( 6.321 -0.000 -0.000) 6.321 4.370 ( 3.333 -0.000 -0.000) 3.333 4.370 ( 4.131 -0.000 -0.000) 4.131======================= Grid point 76 (49/288) =======================q-point: ( 0.36 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.240 ( 0.000 -0.711 -1.470) 1.633 1.280 ( -0.000 -1.745 -0.079) 1.747 1.411 ( -0.000 5.672 4.250) 7.087 1.440 ( 0.000 1.773 0.116) 1.777 1.600 ( 0.000 5.701 0.145) 5.703 1.645 ( 0.000 -1.449 -1.474) 2.067 1.856 ( 0.000 2.478 -0.618) 2.554 2.347 ( 0.000 -0.053 -2.432) 2.433 2.608 ( 0.000 6.934 2.279) 7.299 3.041 ( -0.000 -8.537 1.786) 8.722 3.137 ( -0.000 -9.927 -0.818) 9.961 3.285 ( 0.000 -2.933 -2.983) 4.183 3.572 ( -0.000 -12.597 1.381) 12.673 3.691 ( -0.000 6.793 3.499) 7.641 3.728 ( -0.000 -2.948 1.731) 3.419 3.920 ( 0.000 1.305 -1.048) 1.674 3.974 ( 0.000 -0.174 -0.067) 0.187 4.157 ( -0.000 -1.761 1.134) 2.095 4.324 ( -0.000 -2.311 0.398) 2.345 4.673 ( -0.000 -1.913 0.651) 2.021 4.767 ( -0.000 -2.548 -0.337) 2.570======================= Grid point 77 (50/288) =======================q-point: ( 0.43 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.234 ( 1.949 -1.833 -0.144) 2.680 1.346 ( 7.745 -0.972 -0.293) 7.811 1.459 ( 0.279 2.402 1.963) 3.115 1.501 ( 4.692 1.249 0.369) 4.869 1.624 ( -1.422 1.137 -0.501) 1.889 1.669 ( 1.968 4.158 0.185) 4.603 1.871 ( -0.362 1.853 -0.927) 2.104 2.326 ( -0.969 -0.620 -1.409) 1.819 2.642 ( -1.933 2.997 1.527) 3.879 3.007 ( 4.372 -6.542 1.337) 7.981 3.087 ( 5.409 -8.919 -0.268) 10.434 3.262 ( 2.002 -3.190 -2.684) 4.625 3.482 ( 1.971 -9.058 0.453) 9.281 3.692 ( -1.254 -2.050 2.033) 3.148 3.745 ( -2.050 4.994 2.542) 5.967 3.894 ( -3.344 1.017 -2.842) 4.505 3.994 ( 1.128 0.981 1.498) 2.116 4.131 ( -1.668 -1.185 1.411) 2.485 4.289 ( -2.568 -0.888 0.164) 2.722 4.628 ( -3.584 -1.364 0.622) 3.884 4.700 ( -4.467 -2.721 -0.468) 5.252======================= Grid point 78 (51/288) =======================q-point: ( 0.50 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.256 ( 2.997 -3.212 -0.375) 4.409 1.451 ( 0.997 1.580 -0.124) 1.873 1.529 ( 9.153 -0.256 0.285) 9.161 1.557 ( -1.480 1.694 0.619) 2.333 1.663 ( 5.227 0.902 0.785) 5.362 1.743 ( 2.407 2.759 -0.003) 3.661 1.884 ( -0.024 1.851 -0.881) 2.050 2.328 ( 2.252 0.494 -0.205) 2.314 2.628 ( -1.595 1.181 0.212) 1.996 3.061 ( 7.300 -3.144 0.348) 7.956 3.139 ( 9.189 -6.719 -0.125) 11.384 3.283 ( 3.338 -1.504 -0.404) 3.683 3.463 ( 3.697 -4.847 0.048) 6.096 3.648 ( -2.489 -1.021 1.732) 3.199 3.733 ( -3.997 2.859 1.425) 5.117 3.832 ( -3.809 0.472 -3.959) 5.514 4.012 ( -1.060 1.130 1.992) 2.523 4.078 ( -3.591 -1.230 1.433) 4.057 4.215 ( -4.584 -1.733 -0.092) 4.901 4.532 ( -6.020 -1.103 0.532) 6.144 4.571 ( -7.196 -2.231 -0.508) 7.551======================= Grid point 79 (52/288) =======================q-point: ( 0.57 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.268 ( 2.016 -2.371 -0.599) 3.169 1.468 ( 0.306 0.813 0.225) 0.898 1.524 ( -3.381 1.228 0.638) 3.653 1.690 ( 7.704 0.789 -0.124) 7.745 1.750 ( 3.622 -0.412 0.475) 3.676 1.799 ( 1.812 1.454 -0.030) 2.323 1.901 ( 0.318 0.943 -0.524) 1.124 2.420 ( 6.822 1.567 0.124) 7.000 2.628 ( 0.350 1.093 -0.181) 1.162 3.181 ( 7.848 -0.388 0.211) 7.861 3.256 ( 10.118 -3.048 -0.452) 10.577 3.337 ( 3.647 -0.054 0.717) 3.717 3.506 ( 3.955 -0.425 -0.210) 3.983 3.581 ( -5.253 -0.273 1.462) 5.460 3.689 ( -2.871 0.727 -0.195) 2.968 3.769 ( -2.779 -0.255 -2.382) 3.669 3.975 ( -5.229 1.148 -0.011) 5.353 3.992 ( -4.785 -1.763 2.248) 5.573 4.108 ( -4.298 -2.999 -0.287) 5.249 4.416 ( -5.934 -0.848 0.196) 5.998 4.430 ( -6.608 -1.190 -0.213) 6.718======================= Grid point 80 (53/288) =======================q-point: (-0.36 -0.64 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.281 ( 0.778 -0.000 -0.000) 0.778 1.479 ( 0.396 -0.000 -0.000) 0.396 1.482 ( -1.935 0.000 0.000) 1.935 1.777 ( 1.825 -0.000 -0.000) 1.825 1.781 ( 0.612 -0.000 -0.000) 0.612 1.850 ( 3.348 -0.000 -0.000) 3.348 1.900 ( -1.083 0.000 0.000) 1.083 2.555 ( 6.608 -0.000 -0.000) 6.608 2.637 ( -0.806 0.000 0.000) 0.806 3.298 ( 5.796 -0.000 -0.000) 5.796 3.387 ( 2.364 -0.000 -0.000) 2.364 3.395 ( 2.229 -0.000 -0.000) 2.229 3.506 ( 1.162 -0.000 -0.000) 1.162 3.568 ( 1.708 -0.000 -0.000) 1.708 3.628 ( -5.141 0.000 0.000) 5.141 3.737 ( 0.256 -0.000 -0.000) 0.256 3.883 ( -4.722 0.000 0.000) 4.722 3.900 ( -3.618 0.000 0.000) 3.618 4.036 ( -2.369 0.000 0.000) 2.369 4.333 ( -2.700 0.000 0.000) 2.700 4.339 ( -2.878 0.000 0.000) 2.878======================= Grid point 92 (54/288) =======================q-point: ( 0.43 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.202 ( -0.000 -2.554 0.406) 2.586 1.249 ( -0.000 -1.238 0.334) 1.282 1.463 ( 0.000 0.742 -0.283) 0.794 1.485 ( 0.000 1.617 0.053) 1.618 1.654 ( 0.000 1.688 0.568) 1.781 1.687 ( 0.000 2.964 0.131) 2.967 1.888 ( 0.000 1.473 -0.935) 1.745 2.322 ( 0.000 -1.449 -1.168) 1.861 2.679 ( -0.000 0.421 1.593) 1.647 2.903 ( -0.000 -5.614 2.074) 5.985 2.961 ( -0.000 -6.980 -0.503) 6.998 3.200 ( 0.000 -3.212 -3.224) 4.551 3.390 ( -0.000 -5.734 0.104) 5.735 3.670 ( -0.000 -2.922 0.708) 3.006 3.831 ( -0.000 5.034 3.261) 5.998 3.945 ( 0.000 1.271 -1.477) 1.948 3.977 ( 0.000 0.258 0.087) 0.272 4.145 ( -0.000 0.012 1.334) 1.334 4.319 ( 0.000 1.092 0.005) 1.092 4.650 ( -0.000 -0.750 0.467) 0.884 4.711 ( -0.000 -2.684 -0.411) 2.715======================= Grid point 93 (55/288) =======================q-point: ( 0.50 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.192 ( 1.498 -1.665 0.117) 2.243 1.325 ( 8.965 -0.689 0.111) 8.992 1.489 ( -0.368 1.029 -0.526) 1.213 1.515 ( 4.538 0.019 0.312) 4.549 1.659 ( -0.978 1.158 0.506) 1.598 1.727 ( 1.872 1.531 0.091) 2.420 1.898 ( -0.192 1.048 -0.529) 1.189 2.306 ( 0.231 -0.705 -0.382) 0.835 2.662 ( -1.784 -0.248 0.620) 1.905 2.918 ( 5.887 -2.398 0.778) 6.404 2.951 ( 5.282 -4.135 -0.159) 6.710 3.204 ( 3.470 -1.479 -1.265) 3.978 3.368 ( 2.246 -2.651 -0.041) 3.475 3.648 ( -0.015 -1.549 0.298) 1.577 3.847 ( -3.437 3.201 3.200) 5.683 3.894 ( -4.130 -0.325 -3.084) 5.164 4.012 ( 1.627 0.327 0.728) 1.812 4.129 ( -2.315 0.132 0.733) 2.431 4.296 ( -3.928 0.770 -0.028) 4.003 4.613 ( -3.766 -0.323 0.327) 3.794 4.651 ( -4.205 -1.696 -0.323) 4.546======================= Grid point 94 (56/288) =======================q-point: (-0.43 -0.57 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.217 ( 2.280 -0.000 -0.000) 2.280 1.467 ( 1.779 -0.000 -0.000) 1.779 1.527 ( 9.444 -0.000 -0.000) 9.444 1.574 ( -0.168 0.000 0.000) 0.168 1.675 ( 3.630 -0.000 -0.000) 3.630 1.773 ( 2.268 -0.000 -0.000) 2.268 1.901 ( 0.072 -0.000 -0.000) 0.072 2.333 ( 3.547 -0.000 -0.000) 3.547 2.635 ( -0.951 0.000 0.000) 0.951 3.042 ( 7.876 -0.000 -0.000) 7.876 3.054 ( 10.190 -0.000 -0.000) 10.190 3.266 ( 4.286 -0.000 -0.000) 4.286 3.415 ( 4.678 -0.000 -0.000) 4.678 3.636 ( -1.028 0.000 0.000) 1.028 3.776 ( -6.294 0.000 0.000) 6.294 3.824 ( -3.440 0.000 0.000) 3.440 4.024 ( -0.565 0.000 0.000) 0.565 4.071 ( -4.373 0.000 0.000) 4.373 4.203 ( -6.901 0.000 0.000) 6.901 4.523 ( -6.287 0.000 0.000) 6.287 4.544 ( -6.878 0.000 0.000) 6.878======================= Grid point 109 (57/288) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 400Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.171 ( 0.000 0.000 0.000) 0.000 1.237 ( 0.000 0.000 -0.000) 0.000 1.470 ( 0.000 0.000 0.000) 0.000 1.501 ( 0.000 0.000 -0.000) 0.000 1.674 ( 0.000 0.000 0.000) 0.000 1.717 ( 0.000 0.000 -0.000) 0.000 1.906 ( 0.000 0.000 0.000) 0.000 2.301 ( 0.000 0.000 -0.000) 0.000 2.679 ( 0.000 0.000 -0.000) 0.000 2.849 ( 0.000 0.000 0.000) 0.000 2.886 ( 0.000 0.000 0.000) 0.000 3.160 ( 0.000 0.000 -0.000) 0.000 3.337 ( 0.000 0.000 -0.000) 0.000 3.639 ( 0.000 0.000 -0.000) 0.000 3.891 ( -0.000 0.000 0.000) 0.000 3.953 ( 0.000 0.000 -0.000) 0.000 3.980 ( 0.000 0.000 -0.000) 0.000 4.151 ( 0.000 0.000 0.000) 0.000 4.336 ( 0.000 0.000 -0.000) 0.000 4.645 ( 0.000 0.000 -0.000) 0.000 4.678 ( 0.000 0.000 0.000) 0.000======================= Grid point 218 (58/288) =======================q-point: ( 0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.101 ( -0.000 0.000 19.003) 19.003 0.102 ( -0.000 0.000 18.254) 18.254 0.102 ( -0.000 0.000 18.254) 18.254 0.962 ( 0.000 -0.000 -1.367) 1.367 0.962 ( 0.000 -0.000 -1.367) 1.367 1.501 ( -0.000 0.000 0.250) 0.250 1.501 ( -0.000 0.000 0.250) 0.250 1.548 ( 0.000 -0.000 -2.188) 2.188 2.380 ( -0.000 0.000 4.685) 4.685 2.380 ( -0.000 0.000 4.685) 4.685 2.585 ( -0.000 0.000 0.218) 0.218 3.430 ( 0.000 -0.000 -2.351) 2.351 3.430 ( 0.000 -0.000 -2.351) 2.351 4.035 ( -0.000 -0.000 -0.049) 0.049 4.035 ( 0.000 -0.000 -0.049) 0.049 4.188 ( -0.000 0.000 0.177) 0.177 4.188 ( -0.000 0.000 0.177) 0.177 4.418 ( 0.000 -0.000 -5.667) 5.667 4.551 ( -0.000 0.000 8.144) 8.144 5.027 ( 0.000 -0.000 -0.406) 0.406 5.213 ( -0.000 0.000 2.921) 2.921======================= Grid point 219 (59/288) =======================q-point: ( 0.14 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.312 ( 12.583 7.265 6.986) 16.122 0.484 ( 18.511 10.687 4.273) 21.797 0.648 ( 25.795 14.892 4.012) 30.054 1.007 ( 4.257 2.458 -2.260) 5.411 1.097 ( 10.188 5.882 -1.707) 11.888 1.492 ( -0.123 -0.071 -0.082) 0.164 1.498 ( -0.502 -0.290 0.757) 0.954 1.583 ( 3.473 2.005 -2.504) 4.728 2.463 ( 6.230 3.597 5.763) 9.217 2.556 ( -2.444 -1.411 -0.082) 2.823 3.414 ( -0.745 -0.430 -3.068) 3.186 3.476 ( 3.441 1.987 -1.216) 4.155 3.733 ( 13.327 7.694 -32.701) 36.141 4.002 ( -3.170 -1.830 0.506) 3.695 4.006 ( -1.561 -0.901 1.537) 2.369 4.156 ( -2.580 -1.490 -0.185) 2.985 4.183 ( -0.556 -0.321 0.609) 0.885 4.490 ( -3.107 -1.794 1.461) 3.874 4.613 ( 2.702 1.560 -12.882) 13.255 4.984 ( -3.587 -2.071 -0.256) 4.150 5.173 ( -3.827 -2.210 3.198) 5.455======================= Grid point 220 (60/288) =======================q-point: ( 0.21 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.621 ( 12.922 7.460 4.355) 15.544 0.874 ( 14.830 8.562 1.697) 17.208 1.131 ( 6.609 3.815 -2.056) 7.903 1.169 ( 16.612 9.591 0.305) 19.184 1.340 ( 11.122 6.421 -4.406) 13.577 1.480 ( -1.201 -0.694 0.982) 1.699 1.543 ( 5.616 3.242 3.862) 7.547 1.695 ( 7.086 4.091 -1.135) 8.260 2.484 ( -3.385 -1.954 -1.207) 4.091 2.670 ( 10.562 6.098 5.360) 13.322 3.389 ( -0.992 -0.573 -2.514) 2.763 3.526 ( 0.044 0.026 -0.141) 0.150 3.874 ( 4.112 2.374 -5.641) 7.373 3.895 ( -6.090 -3.516 0.318) 7.039 3.959 ( -2.905 -1.677 -0.062) 3.355 4.077 ( -4.029 -2.326 -0.251) 4.659 4.174 ( -0.071 -0.041 -0.111) 0.138 4.382 ( -6.274 -3.623 6.206) 9.540 4.603 ( -1.237 -0.714 -8.336) 8.458 4.872 ( -5.820 -3.360 -0.122) 6.722 5.062 ( -6.009 -3.469 2.839) 7.497======================= Grid point 221 (61/288) =======================q-point: ( 0.29 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.899 ( 10.727 6.193 2.087) 12.561 1.154 ( 9.352 5.399 0.068) 10.799 1.286 ( 7.001 4.042 -0.745) 8.118 1.348 ( 3.559 2.055 -0.801) 4.187 1.450 ( -1.438 -0.830 0.911) 1.894 1.587 ( 8.044 4.644 -1.467) 9.404 1.702 ( 5.322 3.073 0.845) 6.204 1.947 ( 14.227 8.214 2.128) 16.565 2.428 ( -0.362 -0.209 -2.039) 2.081 2.935 ( 11.307 6.528 3.214) 13.446 3.352 ( -2.555 -1.475 -0.600) 3.011 3.465 ( -4.988 -2.880 -0.740) 5.807 3.746 ( -6.104 -3.524 0.094) 7.048 3.860 ( -5.989 -3.458 -1.359) 7.048 3.898 ( -1.675 -0.967 2.092) 2.850 3.983 ( -3.841 -2.217 -0.416) 4.454 4.154 ( -3.020 -1.744 -0.309) 3.501 4.281 ( -2.241 -1.294 7.673) 8.098 4.531 ( -4.114 -2.375 -4.862) 6.798 4.745 ( -4.496 -2.596 -0.755) 5.246 4.930 ( -5.608 -3.238 1.855) 6.736======================= Grid point 222 (62/288) =======================q-point: ( 0.36 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.117 ( 8.301 4.792 -0.429) 9.594 1.290 ( 2.395 1.383 -0.932) 2.919 1.402 ( 1.519 0.877 1.259) 2.159 1.415 ( 1.795 1.036 3.701) 4.242 1.473 ( 5.285 3.051 -0.107) 6.104 1.660 ( -0.765 -0.441 -1.544) 1.778 1.795 ( 3.605 2.081 0.009) 4.163 2.225 ( 8.310 4.798 -1.551) 9.720 2.495 ( 6.149 3.550 0.855) 7.151 3.143 ( 3.013 1.740 -0.314) 3.494 3.257 ( -2.966 -1.712 1.009) 3.570 3.315 ( -7.638 -4.410 -1.027) 8.880 3.664 ( -0.868 -0.501 1.775) 2.038 3.680 ( -9.100 -5.254 -1.169) 10.573 3.825 ( -4.570 -2.639 2.410) 5.801 3.918 ( -1.395 -0.805 -0.883) 1.837 4.067 ( -3.527 -2.036 1.485) 4.335 4.267 ( -1.139 -0.658 5.201) 5.365 4.405 ( -5.828 -3.365 -1.653) 6.930 4.687 ( -0.713 -0.412 -0.649) 1.049 4.823 ( -3.900 -2.251 0.458) 4.526======================= Grid point 223 (63/288) =======================q-point: ( 0.43 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.263 ( 3.251 1.877 -2.067) 4.285 1.278 ( -2.107 -1.217 -0.100) 2.435 1.415 ( -1.219 -0.704 4.773) 4.977 1.449 ( 2.345 1.354 0.261) 2.720 1.594 ( 4.520 2.610 0.042) 5.219 1.641 ( 0.573 0.331 -0.949) 1.157 1.865 ( 2.493 1.439 -0.522) 2.926 2.328 ( 1.890 1.091 -2.449) 3.281 2.632 ( 3.862 2.230 2.276) 5.007 2.994 ( -9.519 -5.496 0.516) 11.004 3.133 ( -7.702 -4.447 -0.859) 8.934 3.313 ( 2.357 1.361 -2.064) 3.416 3.478 ( -7.710 -4.452 -0.230) 8.906 3.694 ( 2.437 1.407 3.534) 4.517 3.719 ( -4.694 -2.710 1.283) 5.570 3.924 ( 1.795 1.036 -0.957) 2.282 4.006 ( -2.144 -1.238 0.799) 2.601 4.244 ( -1.959 -1.131 3.780) 4.406 4.303 ( -1.615 -0.933 -1.092) 2.161 4.683 ( -0.172 -0.099 0.735) 0.762 4.748 ( -2.773 -1.601 -0.659) 3.269======================= Grid point 224 (64/288) =======================q-point: ( 0.50 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.209 ( -4.682 -2.703 0.340) 5.417 1.229 ( -1.816 -1.049 0.308) 2.120 1.475 ( 4.010 2.315 -0.114) 4.632 1.494 ( 1.481 0.855 -0.291) 1.734 1.662 ( 0.635 0.367 0.675) 0.996 1.671 ( 2.241 1.294 0.165) 2.593 1.910 ( 1.578 0.911 -0.699) 1.952 2.332 ( -0.631 -0.364 -1.364) 1.546 2.666 ( -0.502 -0.290 1.607) 1.708 2.805 ( -6.395 -3.692 1.155) 7.474 2.978 ( -5.330 -3.077 -0.504) 6.175 3.328 ( 0.020 0.011 -2.831) 2.831 3.351 ( -3.324 -1.919 0.140) 3.841 3.630 ( -3.013 -1.739 0.731) 3.555 3.758 ( 2.058 1.188 2.955) 3.792 3.969 ( -1.182 -0.683 0.304) 1.398 3.972 ( 2.018 1.165 -0.642) 2.416 4.205 ( -1.140 -0.658 1.276) 1.833 4.320 ( 1.845 1.065 -0.112) 2.133 4.672 ( -0.805 -0.465 1.176) 1.498 4.693 ( -1.793 -1.035 -1.158) 2.372======================= Grid point 225 (65/288) =======================q-point: (-0.43 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.146 ( -0.152 -0.088 0.407) 0.443 1.207 ( -0.023 -0.014 0.508) 0.509 1.510 ( -0.025 -0.014 -0.765) 0.766 1.531 ( 0.313 0.181 -0.520) 0.633 1.664 ( -0.347 -0.200 0.200) 0.448 1.698 ( 0.021 0.012 0.407) 0.408 1.930 ( 0.109 0.063 -0.428) 0.446 2.321 ( 0.277 0.160 -0.444) 0.548 2.652 ( -0.348 -0.201 0.579) 0.705 2.731 ( -0.041 -0.024 1.709) 1.709 2.912 ( 0.027 0.016 -0.539) 0.540 3.317 ( 0.064 0.037 0.357) 0.365 3.324 ( 0.312 0.180 -2.841) 2.864 3.596 ( 0.028 0.016 0.969) 0.970 3.783 ( -0.440 -0.254 1.933) 1.999 3.955 ( -0.093 -0.054 0.102) 0.148 3.997 ( 0.073 0.042 -0.451) 0.459 4.191 ( -0.409 -0.236 -0.472) 0.668 4.346 ( -0.011 -0.006 -0.215) 0.215 4.657 ( -0.391 -0.226 -0.276) 0.530 4.674 ( 0.380 0.219 0.120) 0.455======================= Grid point 226 (66/288) =======================q-point: (-0.36 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.202 ( 4.414 2.548 -0.697) 5.144 1.230 ( 1.768 1.021 0.407) 2.082 1.480 ( -4.396 -2.538 0.647) 5.117 1.491 ( -1.465 -0.846 -0.814) 1.877 1.654 ( -0.473 -0.273 -0.673) 0.867 1.673 ( -2.272 -1.312 0.446) 2.661 1.913 ( -1.429 -0.825 -0.174) 1.660 2.343 ( 1.253 0.723 0.545) 1.546 2.652 ( -0.134 -0.078 -0.624) 0.643 2.808 ( 6.259 3.613 1.789) 7.445 2.980 ( 5.608 3.238 -0.256) 6.480 3.333 ( 0.717 0.414 -2.030) 2.192 3.357 ( 3.604 2.081 1.121) 4.309 3.632 ( 2.753 1.589 1.065) 3.352 3.743 ( -3.073 -1.774 0.561) 3.592 3.965 ( 0.885 0.511 -0.419) 1.104 3.974 ( -1.801 -1.040 -0.217) 2.091 4.184 ( 0.286 0.165 -2.311) 2.334 4.320 ( -1.692 -0.977 -0.074) 1.955 4.660 ( 0.590 0.341 -1.031) 1.235 4.705 ( 2.004 1.157 0.878) 2.475======================= Grid point 227 (67/288) =======================q-point: (-0.29 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.276 ( -1.183 -0.683 -0.258) 1.390 1.279 ( 2.215 1.279 0.107) 2.560 1.375 ( -2.283 -1.318 -1.982) 3.298 1.445 ( -2.419 -1.397 -0.421) 2.825 1.595 ( -4.603 -2.657 0.184) 5.318 1.650 ( 0.582 0.336 0.741) 1.000 1.867 ( -2.563 -1.480 -0.089) 2.961 2.354 ( -1.156 -0.667 2.032) 2.431 2.606 ( -4.382 -2.530 -2.144) 5.496 2.997 ( 9.333 5.388 1.191) 10.842 3.142 ( 8.042 4.643 0.550) 9.302 3.327 ( -2.011 -1.161 0.300) 2.341 3.498 ( 8.393 4.845 3.262) 10.225 3.663 ( -3.048 -1.760 -1.766) 3.938 3.711 ( 3.865 2.232 -0.109) 4.464 3.930 ( -1.563 -0.903 0.226) 1.819 3.991 ( 1.573 0.908 -1.731) 2.509 4.200 ( 1.260 0.727 -3.888) 4.151 4.311 ( 1.900 1.097 0.595) 2.273 4.674 ( 0.756 0.437 -0.712) 1.127 4.758 ( 2.400 1.386 0.975) 2.938======================= Grid point 228 (68/288) =======================q-point: (-0.21 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.131 ( -8.995 -5.193 2.302) 10.638 1.301 ( -1.869 -1.079 0.855) 2.321 1.365 ( -0.284 -0.164 -5.005) 5.016 1.387 ( -2.172 -1.254 -1.221) 2.790 1.474 ( -5.143 -2.969 0.188) 5.941 1.677 ( 0.351 0.203 1.419) 1.476 1.793 ( -3.816 -2.203 -0.386) 4.423 2.251 ( -9.822 -5.671 3.025) 11.738 2.475 ( -4.500 -2.598 -2.796) 5.901 3.155 ( -3.227 -1.863 1.773) 4.126 3.250 ( 1.843 1.064 -0.294) 2.148 3.328 ( 7.738 4.467 1.229) 9.019 3.643 ( 2.058 1.188 -1.783) 2.971 3.722 ( 9.207 5.316 5.621) 12.026 3.799 ( 4.066 2.348 -1.971) 5.092 3.924 ( 1.273 0.735 0.261) 1.493 4.038 ( 3.372 1.947 -3.402) 5.170 4.215 ( 0.555 0.320 -3.740) 3.795 4.414 ( 6.334 3.657 0.339) 7.322 4.700 ( 1.762 1.017 1.564) 2.566 4.820 ( 3.082 1.780 -0.209) 3.565======================= Grid point 229 (69/288) =======================q-point: (-0.14 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.900 ( -11.669 -6.737 2.211) 13.654 1.160 ( -10.054 -5.805 1.041) 11.656 1.289 ( -5.966 -3.444 -0.417) 6.901 1.335 ( -1.930 -1.114 -3.084) 3.805 1.441 ( 1.148 0.663 -0.597) 1.454 1.597 ( -7.616 -4.397 -0.094) 8.795 1.699 ( -5.694 -3.287 0.619) 6.603 1.937 ( -15.324 -8.847 0.456) 17.700 2.436 ( 0.948 0.547 -0.514) 1.209 2.924 ( -12.513 -7.224 1.315) 14.508 3.350 ( 3.344 1.931 -0.846) 3.953 3.478 ( 4.684 2.705 1.343) 5.573 3.743 ( 6.253 3.610 -0.412) 7.232 3.843 ( 2.401 1.386 -4.466) 5.256 3.923 ( 4.560 2.633 5.318) 7.484 3.986 ( 3.808 2.199 0.102) 4.399 4.151 ( 6.340 3.660 -0.533) 7.340 4.206 ( 0.002 0.001 -4.692) 4.692 4.565 ( 5.951 3.436 1.221) 6.979 4.770 ( 3.917 2.261 3.386) 5.650 4.909 ( 5.133 2.963 -1.662) 6.155======================= Grid point 230 (70/288) =======================q-point: (-0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.611 ( -13.790 -7.961 2.349) 16.095 0.869 ( -15.369 -8.873 0.744) 17.762 1.146 ( -6.283 -3.628 0.514) 7.273 1.160 ( -16.858 -9.733 -1.287) 19.509 1.366 ( -11.814 -6.821 -0.859) 13.669 1.470 ( 1.257 0.726 -0.782) 1.649 1.524 ( -5.002 -2.888 1.467) 5.959 1.696 ( -6.154 -3.553 -1.029) 7.180 2.490 ( 3.167 1.829 -0.083) 3.658 2.648 ( -11.211 -6.473 1.553) 13.038 3.400 ( 1.537 0.888 -0.474) 1.837 3.528 ( -0.554 -0.320 0.187) 0.666 3.864 ( 0.343 0.198 -6.635) 6.647 3.888 ( 5.903 3.408 -0.840) 6.868 3.989 ( 1.117 0.645 2.767) 3.053 4.081 ( 4.105 2.370 0.436) 4.760 4.168 ( -0.456 -0.263 -1.193) 1.304 4.341 ( 7.436 4.293 0.673) 8.612 4.665 ( 2.469 1.425 1.476) 3.210 4.882 ( 5.147 2.972 1.207) 6.065 5.041 ( 6.142 3.546 -0.407) 7.104======================= Grid point 233 (71/288) =======================q-point: ( 0.14 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.336 ( -0.000 14.430 9.647) 17.358 0.493 ( 0.000 21.004 5.006) 21.592 0.653 ( 0.000 29.048 4.407) 29.380 1.016 ( 0.000 5.343 -1.305) 5.501 1.083 ( 0.000 11.748 -3.075) 12.143 1.490 ( -0.000 -0.946 -0.022) 0.946 1.497 ( 0.000 -0.059 -0.121) 0.134 1.577 ( 0.000 3.954 -2.753) 4.819 2.474 ( -0.000 7.209 7.013) 10.057 2.556 ( -0.000 -2.827 -0.178) 2.833 3.413 ( 0.000 -0.728 -3.287) 3.367 3.457 ( 0.000 5.028 -4.813) 6.960 3.653 ( 0.000 18.015 -34.417) 38.847 3.990 ( -0.000 -4.036 -0.692) 4.095 4.022 ( -0.000 -0.995 2.031) 2.261 4.163 ( -0.000 -2.788 0.561) 2.844 4.171 ( -0.000 -1.214 -0.251) 1.240 4.490 ( -0.000 -2.716 -0.580) 2.777 4.621 ( 0.000 5.032 -8.090) 9.527 4.985 ( -0.000 -3.914 -0.071) 3.915 5.177 ( -0.000 -4.819 3.336) 5.861======================= Grid point 234 (72/288) =======================q-point: ( 0.21 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.563 ( 6.782 13.696 7.645) 17.089 0.796 ( 9.405 16.710 2.896) 19.393 1.039 ( 11.347 18.143 0.498) 21.405 1.105 ( 3.698 8.110 -1.890) 9.112 1.261 ( 6.365 11.001 -3.796) 13.264 1.483 ( 0.260 -1.012 0.353) 1.103 1.521 ( 1.901 3.545 2.850) 4.929 1.646 ( 3.449 5.322 -2.638) 6.869 2.503 ( -2.134 -3.537 -1.060) 4.264 2.621 ( 5.347 9.610 7.080) 13.080 3.384 ( -0.793 -1.180 -3.416) 3.700 3.528 ( 1.605 2.575 -0.258) 3.045 3.790 ( 5.945 4.805 -12.798) 14.907 3.928 ( -2.007 -5.111 -0.604) 5.524 3.992 ( -2.387 -1.233 1.217) 2.950 4.101 ( -2.702 -3.831 0.530) 4.718 4.171 ( 0.555 -0.618 -0.725) 1.103 4.420 ( -2.995 -6.434 4.032) 8.162 4.624 ( -2.094 1.722 -6.397) 6.947 4.910 ( -3.421 -5.069 0.454) 6.132 5.097 ( -3.137 -6.520 2.693) 7.720======================= Grid point 235 (73/288) =======================q-point: ( 0.29 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.827 ( 7.808 10.796 5.181) 14.296 1.095 ( 7.685 11.923 1.050) 14.224 1.231 ( 5.604 5.814 -1.325) 8.183 1.306 ( 4.472 5.222 -3.242) 7.601 1.468 ( 0.169 0.364 -0.290) 0.495 1.496 ( 7.771 7.897 -1.022) 11.126 1.652 ( 4.838 5.397 2.445) 7.650 1.831 ( 10.297 10.614 1.342) 14.848 2.426 ( -1.847 -3.040 -2.452) 4.320 2.852 ( 8.339 9.809 5.540) 14.016 3.354 ( -0.567 -1.818 -2.033) 2.786 3.523 ( -3.099 -0.808 -0.006) 3.202 3.809 ( -5.289 -4.421 -0.815) 6.942 3.879 ( 1.999 -1.456 -1.788) 3.052 3.928 ( -3.445 -1.517 1.491) 4.049 4.007 ( -3.427 -4.302 0.601) 5.532 4.172 ( -0.595 -0.338 -1.406) 1.563 4.303 ( -2.641 -6.209 6.137) 9.121 4.569 ( -3.504 -0.778 -5.282) 6.386 4.783 ( -4.819 -5.381 0.947) 7.285 4.967 ( -4.216 -6.797 1.710) 8.179======================= Grid point 236 (74/288) =======================q-point: ( 0.36 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.050 ( 6.636 7.883 2.118) 10.520 1.280 ( 3.333 6.268 -0.566) 7.121 1.377 ( 4.284 3.754 1.482) 5.885 1.415 ( 3.398 6.506 -0.564) 7.361 1.457 ( -0.300 1.517 0.272) 1.571 1.645 ( 2.649 1.302 -0.595) 3.011 1.756 ( 3.093 2.297 -0.096) 3.854 2.132 ( 9.643 9.101 0.845) 13.286 2.415 ( 4.376 -0.266 -1.744) 4.719 3.089 ( 7.311 7.486 2.389) 10.733 3.299 ( -3.720 -3.019 0.180) 4.794 3.426 ( -6.518 -1.159 -0.443) 6.635 3.678 ( -4.006 -3.358 0.277) 5.235 3.788 ( -7.436 -3.511 -0.476) 8.237 3.876 ( -2.817 -2.188 2.385) 4.291 3.912 ( -1.914 -4.443 -0.593) 4.874 4.104 ( -3.197 -3.539 1.308) 4.946 4.270 ( 0.249 -2.286 5.188) 5.675 4.467 ( -5.492 -2.723 -3.192) 6.911 4.675 ( -1.432 -4.208 0.284) 4.454 4.842 ( -3.055 -5.996 0.655) 6.761======================= Grid point 237 (75/288) =======================q-point: ( 0.43 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.218 ( 4.928 5.419 -0.878) 7.377 1.328 ( -1.926 2.410 0.681) 3.160 1.455 ( 0.653 3.917 2.207) 4.543 1.469 ( -0.957 3.581 1.895) 4.163 1.563 ( 3.877 5.573 -0.043) 6.790 1.628 ( -1.122 -1.912 -1.535) 2.696 1.826 ( 3.196 1.075 -0.391) 3.394 2.288 ( 3.386 2.293 -2.260) 4.672 2.551 ( 7.839 1.512 1.461) 8.116 3.119 ( -8.300 -2.087 0.097) 8.559 3.252 ( -5.831 0.315 -0.175) 5.843 3.298 ( -1.378 2.268 -0.596) 2.719 3.588 ( -8.147 -3.468 0.687) 8.880 3.656 ( 0.904 -1.639 2.544) 3.158 3.786 ( -4.834 -2.099 1.767) 5.559 3.873 ( 1.963 -3.116 -2.089) 4.234 4.039 ( -1.942 -1.295 1.474) 2.760 4.249 ( -0.289 -2.838 4.090) 4.987 4.333 ( -5.147 -3.347 -1.523) 6.325 4.649 ( 1.777 -3.368 0.404) 3.830 4.748 ( -1.496 -5.315 -0.214) 5.526======================= Grid point 238 (76/288) =======================q-point: ( 0.50 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.249 ( -3.565 -0.401 -0.453) 3.616 1.344 ( -3.493 6.012 -0.685) 6.987 1.440 ( -0.159 1.519 2.098) 2.596 1.516 ( -0.151 4.992 0.360) 5.007 1.633 ( 2.533 -0.742 -0.003) 2.639 1.662 ( 1.864 3.871 0.223) 4.302 1.882 ( 2.413 0.668 -0.802) 2.629 2.323 ( 0.556 -0.371 -1.435) 1.583 2.648 ( 2.576 -0.817 1.381) 3.035 2.944 ( -9.929 0.514 0.960) 9.989 3.084 ( -9.262 -0.248 -0.440) 9.275 3.327 ( -0.434 0.924 -2.095) 2.331 3.434 ( -6.513 0.057 0.156) 6.515 3.663 ( -1.669 -2.787 1.738) 3.684 3.727 ( 1.195 -0.229 3.039) 3.274 3.898 ( 3.912 -2.417 -2.393) 5.184 4.008 ( -1.636 0.385 1.284) 2.115 4.216 ( -1.670 -2.576 2.121) 3.731 4.269 ( 2.259 -2.710 -0.630) 3.584 4.646 ( 1.541 -3.872 0.953) 4.275 4.681 ( -0.433 -4.803 -0.847) 4.897======================= Grid point 239 (77/288) =======================q-point: ( 0.57 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.178 ( -3.079 0.142 0.352) 3.103 1.309 ( -6.138 7.926 0.410) 10.033 1.499 ( 2.867 0.548 -0.822) 3.032 1.547 ( -1.562 3.949 -0.327) 4.259 1.655 ( 0.819 -1.196 0.627) 1.579 1.710 ( 0.060 2.384 0.443) 2.425 1.917 ( 1.258 0.157 -0.739) 1.468 2.315 ( -0.232 -0.313 -0.613) 0.727 2.654 ( -0.112 -0.963 0.669) 1.178 2.825 ( -6.767 4.841 1.969) 8.550 2.963 ( -5.020 1.847 -0.480) 5.371 3.310 ( -0.865 0.136 -1.592) 1.817 3.371 ( -2.981 2.805 -1.520) 4.367 3.609 ( -1.545 -0.670 1.212) 2.075 3.760 ( 1.959 -2.088 2.961) 4.118 3.932 ( 2.660 -1.557 -1.897) 3.620 3.992 ( -0.670 -0.485 1.198) 1.456 4.181 ( 0.051 -2.090 0.046) 2.091 4.298 ( 3.445 -3.306 -0.144) 4.777 4.631 ( 1.148 -3.985 0.537) 4.182 4.640 ( 1.255 -3.810 -0.689) 4.070======================= Grid point 240 (78/288) =======================q-point: (-0.36 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.177 ( 1.123 2.841 0.329) 3.073 1.310 ( -3.898 9.322 0.441) 10.114 1.507 ( -1.348 -2.161 -0.107) 2.549 1.541 ( -2.877 3.092 -1.034) 4.348 1.646 ( 0.019 -1.631 -0.203) 1.644 1.712 ( -2.083 1.148 0.568) 2.446 1.920 ( -0.477 -0.773 -0.391) 0.989 2.320 ( 1.048 0.092 -0.138) 1.061 2.647 ( 0.109 -0.483 -0.019) 0.495 2.829 ( -0.851 8.354 2.424) 8.740 2.964 ( 1.046 5.401 -0.429) 5.518 3.312 ( 0.810 0.926 -1.580) 2.003 3.371 ( -0.456 3.907 -1.398) 4.174 3.612 ( 1.284 0.887 1.420) 2.110 3.752 ( -0.424 -3.301 1.999) 3.882 3.953 ( 0.953 -0.057 -0.194) 0.975 3.971 ( -0.145 -2.462 -0.204) 2.474 4.166 ( 0.584 -1.780 -1.579) 2.450 4.298 ( 1.182 -4.499 -0.120) 4.653 4.620 ( 2.056 -3.319 -0.651) 3.958 4.651 ( 3.460 -2.675 0.407) 4.392======================= Grid point 241 (79/288) =======================q-point: (-0.29 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.244 ( 2.181 3.155 -0.789) 3.916 1.351 ( -2.696 7.645 -0.077) 8.107 1.426 ( -4.267 -1.795 0.569) 4.664 1.508 ( -3.963 2.513 -0.615) 4.733 1.631 ( 0.674 -1.742 -0.152) 1.874 1.663 ( -4.486 0.103 0.237) 4.493 1.887 ( -1.758 -1.652 -0.191) 2.420 2.342 ( 1.343 -0.747 0.468) 1.607 2.628 ( -1.715 -2.373 -0.697) 3.010 2.954 ( 4.220 8.992 2.035) 10.139 3.090 ( 5.249 8.093 0.169) 9.648 3.335 ( 0.459 0.654 -1.679) 1.860 3.446 ( 4.307 5.650 1.514) 7.264 3.651 ( 1.207 -2.134 0.683) 2.545 3.707 ( -0.624 0.082 0.527) 0.821 3.929 ( -0.799 -3.104 1.194) 3.421 3.974 ( 0.970 0.368 -1.975) 2.231 4.166 ( 1.639 -1.184 -3.260) 3.836 4.279 ( 1.767 -2.187 0.553) 2.865 4.629 ( 2.686 -2.948 -0.779) 4.063 4.697 ( 4.374 -2.271 0.778) 4.990======================= Grid point 242 (80/288) =======================q-point: (-0.21 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.241 ( -7.373 -2.515 1.896) 8.017 1.306 ( -0.074 1.113 -1.833) 2.146 1.413 ( -2.842 5.000 -2.105) 6.125 1.453 ( -4.890 2.061 -0.086) 5.307 1.561 ( -6.699 -0.846 -0.215) 6.756 1.653 ( 2.498 -0.281 1.110) 2.748 1.829 ( -2.809 -2.079 -0.112) 3.497 2.330 ( -2.692 -1.925 2.174) 3.960 2.516 ( -5.820 -5.476 -2.326) 8.323 3.128 ( 5.902 6.386 1.042) 8.758 3.262 ( 2.121 4.042 0.818) 4.637 3.310 ( -1.052 1.943 0.526) 2.271 3.599 ( 2.765 -0.785 0.009) 2.875 3.647 ( 7.070 5.568 3.405) 9.622 3.760 ( 2.830 2.489 -1.268) 3.976 3.901 ( 0.733 -1.957 1.112) 2.367 3.991 ( 2.042 -0.550 -3.219) 3.851 4.184 ( 2.167 -0.700 -3.114) 3.858 4.346 ( 5.396 2.589 0.335) 5.995 4.651 ( 3.203 -2.515 0.525) 4.106 4.754 ( 4.613 -1.879 0.321) 4.991======================= Grid point 243 (81/288) =======================q-point: (-0.14 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.052 ( -11.003 -3.563 2.598) 11.853 1.291 ( -4.434 0.364 -0.197) 4.453 1.338 ( -6.797 -0.905 -2.011) 7.146 1.407 ( -5.121 2.216 -1.615) 5.809 1.456 ( -2.505 0.737 0.165) 2.616 1.654 ( -2.723 -2.665 0.282) 3.820 1.756 ( -3.759 -1.112 -0.074) 3.921 2.142 ( -15.349 -5.316 2.057) 16.374 2.414 ( 0.290 -2.357 -1.882) 3.030 3.084 ( -11.778 -4.197 2.001) 12.662 3.291 ( 4.810 2.271 -0.731) 5.370 3.439 ( 4.623 4.422 0.821) 6.449 3.672 ( 5.686 3.066 -0.347) 6.470 3.821 ( 2.142 1.852 -3.616) 4.593 3.861 ( 7.202 3.902 6.133) 10.233 3.928 ( 3.499 -0.359 1.322) 3.758 4.049 ( 6.859 0.369 -3.556) 7.735 4.201 ( 0.383 -0.023 -2.327) 2.358 4.490 ( 6.834 3.714 -0.124) 7.779 4.701 ( 4.912 -1.684 2.940) 5.967 4.827 ( 5.674 -0.376 -1.009) 5.775======================= Grid point 244 (82/288) =======================q-point: (-0.07 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.807 ( -14.097 -3.153 2.759) 14.706 1.095 ( -15.275 -1.366 0.989) 15.368 1.232 ( -6.005 -1.480 -1.350) 6.330 1.320 ( -6.852 0.107 -1.630) 7.044 1.462 ( 0.516 1.149 -0.344) 1.306 1.507 ( -9.999 -3.188 -1.337) 10.579 1.639 ( -9.350 -2.611 2.264) 9.968 1.820 ( -13.574 -2.804 -0.051) 13.861 2.440 ( 3.453 0.108 -0.726) 3.531 2.822 ( -13.743 -3.224 2.336) 14.308 3.363 ( 2.746 0.169 -0.942) 2.908 3.531 ( 1.998 1.423 0.662) 2.541 3.812 ( 5.955 3.448 -0.450) 6.896 3.856 ( 1.189 1.065 -4.278) 4.566 3.958 ( 2.727 -0.515 1.613) 3.210 4.008 ( 5.351 0.040 0.748) 5.403 4.187 ( -1.361 0.360 -1.712) 2.217 4.222 ( 9.981 2.205 2.127) 10.440 4.618 ( 4.535 1.245 -0.395) 4.720 4.794 ( 6.608 -0.566 1.957) 6.915 4.945 ( 7.507 1.251 -0.302) 7.616======================= Grid point 248 (83/288) =======================q-point: ( 0.21 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.674 ( -0.000 15.482 9.122) 17.970 0.888 ( 0.000 17.226 2.543) 17.413 1.139 ( 0.000 15.838 -2.823) 16.087 1.141 ( 0.000 7.194 -1.496) 7.348 1.333 ( 0.000 13.762 -3.833) 14.286 1.466 ( -0.000 -1.469 0.088) 1.472 1.564 ( -0.000 8.589 4.476) 9.685 1.675 ( 0.000 7.518 -2.552) 7.940 2.481 ( 0.000 -4.176 -1.742) 4.525 2.701 ( -0.000 12.503 7.708) 14.688 3.378 ( 0.000 -1.560 -3.545) 3.873 3.530 ( 0.000 1.799 0.227) 1.814 3.765 ( 0.000 4.454 -9.539) 10.527 3.879 ( -0.000 -6.662 -0.715) 6.700 4.004 ( -0.000 -1.444 0.984) 1.747 4.086 ( -0.000 -4.985 0.303) 4.994 4.156 ( 0.000 0.289 -0.741) 0.796 4.377 ( -0.000 -8.869 3.766) 9.635 4.646 ( 0.000 -0.589 -3.446) 3.496 4.892 ( -0.000 -4.820 0.782) 4.883 5.053 ( -0.000 -8.351 1.809) 8.545======================= Grid point 249 (84/288) =======================q-point: ( 0.29 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.868 ( 3.243 13.573 8.156) 16.164 1.111 ( 6.042 13.827 1.974) 15.218 1.204 ( 1.796 4.707 -3.719) 6.262 1.289 ( 4.459 6.190 -3.813) 8.528 1.459 ( 0.887 0.063 -0.431) 0.988 1.488 ( 3.169 10.291 -1.350) 10.852 1.670 ( 1.014 6.422 2.462) 6.952 1.827 ( 5.097 15.998 1.548) 16.861 2.420 ( -1.743 -3.730 -2.927) 5.052 2.875 ( 3.460 12.877 6.789) 14.962 3.342 ( -0.820 -2.052 -2.840) 3.598 3.538 ( -0.049 -2.194 0.628) 2.283 3.805 ( -0.436 -6.816 -1.011) 6.905 3.814 ( 2.580 0.262 -2.212) 3.409 3.967 ( -2.687 -1.846 0.921) 3.388 4.018 ( -1.918 -4.357 1.141) 4.895 4.167 ( 0.384 0.615 -1.475) 1.643 4.268 ( -1.716 -10.160 3.952) 11.036 4.599 ( -2.206 -3.292 -2.550) 4.713 4.815 ( -4.029 -4.107 1.754) 6.014 4.949 ( -2.316 -8.529 0.593) 8.858======================= Grid point 250 (85/288) =======================q-point: ( 0.36 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.060 ( 3.561 10.419 5.573) 12.340 1.271 ( 3.696 3.705 -2.626) 5.855 1.351 ( 5.831 8.740 1.502) 10.613 1.417 ( 4.420 6.263 -1.720) 7.856 1.473 ( 0.496 0.905 0.242) 1.060 1.617 ( 2.555 3.903 -0.109) 4.667 1.742 ( 1.710 3.409 -0.289) 3.824 2.105 ( 7.118 14.794 2.350) 16.585 2.358 ( -0.209 -2.428 -3.542) 4.299 3.077 ( 4.821 10.583 4.502) 12.471 3.309 ( -0.417 -2.278 -1.237) 2.626 3.482 ( -2.842 -3.457 0.881) 4.561 3.717 ( -2.705 -4.594 -2.044) 5.710 3.816 ( -0.746 -4.155 0.908) 4.318 3.882 ( -3.426 -3.701 -0.498) 5.068 3.945 ( -4.030 -2.288 2.741) 5.384 4.101 ( -2.370 -7.702 1.967) 8.295 4.228 ( 2.399 -2.187 2.081) 3.856 4.509 ( -3.114 -4.187 -2.867) 5.954 4.691 ( -5.524 -4.130 2.543) 7.351 4.822 ( -2.836 -7.634 -0.342) 8.151======================= Grid point 251 (86/288) =======================q-point: ( 0.43 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.213 ( 3.163 7.624 2.245) 8.554 1.362 ( 2.321 2.426 1.025) 3.510 1.473 ( 1.178 3.255 -0.880) 3.572 1.505 ( 1.847 5.005 0.722) 5.384 1.568 ( 3.624 7.338 0.392) 8.194 1.644 ( -1.078 -0.399 0.080) 1.152 1.790 ( 1.692 1.350 -0.805) 2.309 2.280 ( 0.709 5.157 -1.831) 5.518 2.422 ( 8.557 2.212 0.336) 8.845 3.216 ( -2.272 2.688 0.284) 3.531 3.277 ( 0.892 2.463 1.535) 3.036 3.402 ( -4.040 -1.417 0.522) 4.313 3.622 ( -3.387 -2.296 0.687) 4.149 3.711 ( -5.654 -4.987 0.930) 7.596 3.806 ( -0.114 -3.771 -2.725) 4.654 3.840 ( -4.406 -3.331 1.559) 5.739 4.028 ( 0.371 -4.554 2.570) 5.242 4.229 ( -0.094 -3.340 3.365) 4.742 4.395 ( -5.344 -3.709 -2.185) 6.862 4.590 ( -0.925 -4.542 1.657) 4.923 4.707 ( -1.717 -7.275 -0.602) 7.499======================= Grid point 252 (87/288) =======================q-point: ( 0.50 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.309 ( -1.197 3.748 -1.035) 4.068 1.381 ( 0.133 2.027 2.496) 3.218 1.530 ( 2.758 1.259 0.529) 3.077 1.575 ( -3.753 3.840 0.196) 5.373 1.597 ( 0.068 4.246 -0.316) 4.258 1.685 ( 1.309 5.589 0.374) 5.752 1.840 ( 2.964 0.766 -0.740) 3.150 2.316 ( 0.483 1.861 -1.277) 2.308 2.571 ( 5.815 0.436 0.534) 5.856 3.113 ( -8.003 1.536 0.383) 8.158 3.276 ( -10.372 2.250 -0.078) 10.613 3.345 ( 0.386 2.249 -0.324) 2.305 3.545 ( -5.732 -1.354 1.047) 5.982 3.615 ( 1.523 -3.747 3.129) 5.114 3.750 ( -2.952 -2.354 1.058) 3.921 3.798 ( 3.311 -2.518 -3.943) 5.731 4.016 ( 0.993 -1.974 1.670) 2.770 4.188 ( -0.005 -4.621 3.240) 5.644 4.261 ( -5.003 -3.498 -1.381) 6.259 4.561 ( 2.243 -5.534 0.944) 6.045 4.619 ( -0.010 -7.270 -0.691) 7.303======================= Grid point 253 (88/288) =======================q-point: ( 0.57 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.249 ( -4.728 0.462 -0.323) 4.762 1.447 ( 2.642 2.065 -0.009) 3.353 1.526 ( -6.540 8.269 0.006) 10.543 1.586 ( 2.429 -0.980 0.329) 2.640 1.649 ( -0.900 4.457 1.030) 4.662 1.740 ( 0.055 3.648 0.118) 3.650 1.891 ( 2.030 0.684 -0.875) 2.314 2.332 ( -0.785 2.323 -0.331) 2.474 2.632 ( 1.897 -0.573 0.046) 1.982 3.015 ( -7.384 5.948 1.181) 9.555 3.121 ( -10.095 3.830 0.078) 10.798 3.342 ( -1.990 1.378 -1.206) 2.704 3.463 ( -4.305 2.386 -0.457) 4.943 3.613 ( 0.761 -3.226 2.302) 4.036 3.710 ( 0.600 -2.196 2.051) 3.064 3.841 ( 4.585 -1.807 -3.653) 6.135 4.005 ( -1.064 -1.493 1.758) 2.540 4.160 ( -0.678 -3.679 1.407) 3.997 4.181 ( 3.246 -6.043 -0.723) 6.898 4.546 ( 2.539 -6.220 0.767) 6.762 4.561 ( 1.497 -6.656 -0.856) 6.876======================= Grid point 254 (89/288) =======================q-point: (-0.36 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.208 ( -1.246 2.628 0.284) 2.922 1.486 ( 0.233 0.397 -0.755) 0.884 1.512 ( -5.341 9.314 0.374) 10.744 1.595 ( 0.229 -1.679 -0.641) 1.812 1.656 ( -2.581 3.407 0.707) 4.333 1.761 ( -1.291 2.387 0.454) 2.751 1.915 ( 0.464 -0.083 -0.478) 0.671 2.336 ( -1.622 2.799 -0.114) 3.237 2.642 ( 0.055 -0.213 -0.324) 0.391 2.988 ( -5.836 10.153 2.191) 11.914 3.045 ( -3.431 6.286 -0.065) 7.162 3.326 ( -1.134 1.940 -1.553) 2.731 3.434 ( -2.540 3.911 -1.660) 4.950 3.602 ( 0.631 -1.400 1.818) 2.379 3.709 ( 1.359 -3.106 2.221) 4.053 3.895 ( 4.055 -1.297 -3.460) 5.486 3.964 ( -1.336 -2.788 2.669) 4.084 4.124 ( 0.835 -3.414 -1.248) 3.730 4.191 ( 4.375 -7.043 0.447) 8.303 4.530 ( 2.735 -5.836 -0.294) 6.452 4.545 ( 3.821 -5.559 -0.018) 6.746======================= Grid point 255 (90/288) =======================q-point: (-0.29 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.255 ( 1.561 4.763 0.208) 5.017 1.453 ( -2.910 -2.226 0.232) 3.671 1.524 ( -4.454 9.297 -0.184) 10.311 1.568 ( -0.478 -1.951 -0.976) 2.233 1.641 ( -3.207 3.312 0.578) 4.646 1.741 ( -3.385 1.462 0.159) 3.691 1.900 ( -1.459 -1.130 -0.230) 1.860 2.334 ( -0.984 1.537 -0.212) 1.838 2.628 ( -0.974 -1.465 -0.234) 1.775 3.025 ( -1.131 9.273 1.919) 9.537 3.127 ( 1.778 11.086 0.608) 11.244 3.334 ( 0.089 1.477 -2.273) 2.713 3.456 ( 0.852 4.734 -0.258) 4.817 3.605 ( 1.290 -3.417 1.554) 3.969 3.704 ( 0.569 -0.775 1.111) 1.469 3.906 ( -0.084 -3.734 0.058) 3.736 3.950 ( 1.572 -0.258 -0.416) 1.646 4.106 ( 1.825 -4.423 -2.525) 5.410 4.204 ( 3.937 -3.168 0.872) 5.128 4.531 ( 3.682 -5.015 -0.437) 6.237 4.575 ( 5.463 -4.893 0.225) 7.338======================= Grid point 256 (91/288) =======================q-point: (-0.21 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.319 ( -0.696 4.231 -0.562) 4.325 1.353 ( -5.525 -2.205 0.910) 6.019 1.511 ( -2.579 1.482 -1.075) 3.163 1.563 ( -2.544 3.457 -0.275) 4.301 1.624 ( -1.598 2.863 1.327) 3.537 1.673 ( -5.797 0.656 -0.572) 5.862 1.850 ( -2.138 -1.814 -0.021) 2.804 2.334 ( 0.011 0.232 -0.112) 0.258 2.558 ( -4.668 -4.082 -0.319) 6.209 3.129 ( 2.481 7.734 1.529) 8.264 3.286 ( 3.032 9.784 0.594) 10.260 3.334 ( -0.775 -0.614 -1.504) 1.800 3.553 ( 2.760 1.319 2.207) 3.772 3.587 ( 3.764 -0.185 0.580) 3.813 3.736 ( 2.478 1.491 -0.349) 2.913 3.871 ( 0.189 -2.681 1.372) 3.018 3.948 ( 0.285 -2.908 -2.179) 3.645 4.117 ( 3.844 -1.458 -1.978) 4.563 4.280 ( 5.177 2.065 0.426) 5.590 4.552 ( 4.093 -4.172 0.231) 5.849 4.630 ( 6.146 -4.104 0.100) 7.391======================= Grid point 257 (92/288) =======================q-point: (-0.14 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.202 ( -8.891 -1.729 1.996) 9.275 1.332 ( -1.918 1.830 -1.745) 3.173 1.483 ( -2.570 1.614 -0.425) 3.064 1.500 ( -7.706 1.721 0.947) 7.952 1.554 ( -7.209 0.277 -0.747) 7.253 1.647 ( 0.704 -0.567 0.283) 0.948 1.802 ( -2.295 -0.497 -0.073) 2.349 2.326 ( -5.346 1.551 1.758) 5.837 2.391 ( -5.308 -5.608 -2.221) 8.035 3.230 ( -4.476 1.462 1.630) 4.983 3.257 ( -0.610 0.903 -0.329) 1.139 3.396 ( 3.698 1.259 0.072) 3.907 3.616 ( 4.754 4.091 0.047) 6.272 3.729 ( 7.532 -1.364 0.759) 7.692 3.817 ( 3.975 3.543 -0.398) 5.340 3.887 ( 2.723 1.297 4.622) 5.519 3.926 ( 3.405 -4.552 -3.968) 6.933 4.176 ( 2.793 0.773 -0.654) 2.971 4.410 ( 6.439 3.156 -0.619) 7.197 4.592 ( 4.869 -3.292 1.732) 6.127 4.708 ( 6.577 -1.724 -0.501) 6.818======================= Grid point 258 (93/288) =======================q-point: (-0.07 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.017 ( -11.688 -0.653 2.009) 11.877 1.298 ( -4.044 -0.081 -2.049) 4.535 1.332 ( -11.021 0.852 1.684) 11.182 1.432 ( -6.926 0.176 -0.762) 6.970 1.471 ( -0.766 0.012 0.160) 0.782 1.617 ( -4.153 0.038 0.046) 4.154 1.745 ( -4.530 -0.059 -0.146) 4.533 2.087 ( -17.035 -0.450 0.889) 17.064 2.385 ( 2.394 0.361 -1.294) 2.746 3.041 ( -12.801 -0.417 1.801) 12.934 3.317 ( 2.826 0.260 -0.386) 2.864 3.476 ( 4.649 -0.299 0.201) 4.663 3.734 ( 5.562 -0.210 -0.923) 5.642 3.817 ( 4.291 1.081 -0.491) 4.453 3.898 ( 3.735 -0.197 -2.524) 4.512 3.922 ( 3.568 -2.286 1.660) 4.551 4.063 ( 9.808 1.709 3.594) 10.584 4.210 ( 0.193 1.018 0.848) 1.339 4.536 ( 5.812 0.144 -1.513) 6.007 4.668 ( 6.507 -1.328 1.289) 6.765 4.822 ( 7.401 0.467 0.077) 7.416======================= Grid point 263 (94/288) =======================q-point: ( 0.29 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.993 ( -0.000 13.079 9.032) 15.894 1.185 ( 0.000 11.754 1.775) 11.887 1.248 ( 0.000 1.818 -7.036) 7.267 1.266 ( 0.000 5.826 -2.065) 6.181 1.441 ( -0.000 -0.740 0.591) 0.948 1.572 ( 0.000 10.254 -2.025) 10.452 1.719 ( 0.000 4.001 0.876) 4.095 1.977 ( 0.000 20.117 3.821) 20.477 2.397 ( 0.000 -2.556 -3.879) 4.646 2.995 ( -0.000 13.696 6.379) 15.109 3.320 ( 0.000 -3.341 -2.632) 4.253 3.494 ( -0.000 -5.567 0.335) 5.578 3.736 ( -0.000 -7.115 -0.381) 7.125 3.792 ( -0.000 0.159 0.220) 0.272 3.974 ( -0.000 -2.280 1.556) 2.760 3.984 ( -0.000 -4.782 -0.356) 4.795 4.166 ( -0.000 -6.516 0.382) 6.527 4.187 ( -0.000 -4.166 2.145) 4.686 4.562 ( -0.000 -6.623 -1.079) 6.711 4.825 ( -0.000 -2.897 2.528) 3.845 4.886 ( -0.000 -7.585 -1.159) 7.673======================= Grid point 264 (95/288) =======================q-point: ( 0.36 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.141 ( 1.338 10.795 8.020) 13.515 1.240 ( 0.997 1.512 -4.767) 5.100 1.345 ( 5.875 7.642 1.110) 9.703 1.372 ( 4.838 4.408 -1.754) 6.776 1.461 ( 1.767 1.697 0.315) 2.470 1.646 ( -0.370 4.498 -1.107) 4.647 1.758 ( 0.527 3.205 0.169) 3.252 2.191 ( 2.145 16.381 3.245) 16.837 2.359 ( -1.857 -0.028 -4.163) 4.558 3.144 ( 1.540 10.877 4.390) 11.830 3.274 ( -0.045 -4.045 -1.201) 4.219 3.446 ( 1.492 -6.872 -0.000) 7.032 3.667 ( -0.194 -5.923 -0.237) 5.931 3.794 ( 0.100 -1.885 1.382) 2.340 3.902 ( -3.027 -4.756 -0.305) 5.646 3.967 ( 0.691 -2.196 2.559) 3.442 4.038 ( -2.186 -11.086 0.824) 11.330 4.193 ( 0.352 -0.096 1.318) 1.367 4.480 ( -1.029 -7.101 -0.937) 7.236 4.755 ( -4.170 -4.386 3.320) 6.903 4.802 ( -2.790 -4.412 -2.296) 5.703======================= Grid point 265 (96/288) =======================q-point: ( 0.43 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.265 ( 0.901 7.834 3.931) 8.811 1.307 ( 5.052 1.773 -0.076) 5.355 1.467 ( 3.207 0.864 -1.212) 3.535 1.521 ( 3.294 6.955 0.759) 7.733 1.546 ( 5.474 4.324 0.211) 6.979 1.649 ( -0.214 -0.123 -0.077) 0.259 1.795 ( 0.169 2.370 -0.672) 2.469 2.316 ( 0.590 -0.432 -2.996) 3.083 2.383 ( 1.032 11.833 1.510) 11.974 3.245 ( 2.085 -3.994 -0.466) 4.530 3.270 ( 1.373 6.385 2.106) 6.863 3.405 ( 0.575 -4.566 0.965) 4.702 3.620 ( 0.158 -3.701 0.458) 3.733 3.734 ( -4.099 -4.623 0.540) 6.202 3.799 ( -2.305 -4.230 -1.729) 5.119 3.893 ( -4.716 -5.307 -0.090) 7.100 3.968 ( 1.055 -2.949 3.677) 4.830 4.193 ( 0.741 -2.844 2.657) 3.962 4.393 ( -1.186 -6.094 -1.345) 6.353 4.631 ( -5.932 -3.532 2.648) 7.395 4.690 ( -4.364 -4.702 -1.816) 6.667======================= Grid point 266 (97/288) =======================q-point: ( 0.50 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.356 ( 1.404 5.491 1.664) 5.907 1.407 ( 2.652 1.806 1.955) 3.757 1.458 ( -1.093 -2.927 -1.600) 3.510 1.622 ( 2.678 4.015 0.726) 4.880 1.654 ( 1.592 3.951 -0.816) 4.337 1.706 ( 3.080 4.495 1.224) 5.584 1.813 ( 0.655 1.725 -1.145) 2.172 2.328 ( 1.051 1.754 -1.167) 2.354 2.505 ( 3.050 4.829 0.152) 5.714 3.223 ( -2.189 -0.352 -0.431) 2.258 3.331 ( 2.022 -0.365 1.281) 2.421 3.402 ( -0.156 1.576 1.174) 1.972 3.579 ( -1.522 -5.284 0.373) 5.512 3.606 ( -4.549 -2.087 2.161) 5.451 3.737 ( -0.594 -3.116 -3.693) 4.869 3.785 ( -3.097 -1.529 -0.554) 3.498 3.961 ( 0.963 -2.643 2.602) 3.832 4.162 ( -0.720 -4.837 3.432) 5.975 4.303 ( -3.305 -4.826 -1.377) 6.009 4.515 ( -3.275 -3.666 1.514) 5.143 4.566 ( -3.010 -6.190 -1.099) 6.970======================= Grid point 267 (98/288) =======================q-point: ( 0.57 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.339 ( -5.463 -0.592 -1.007) 5.587 1.428 ( 1.735 2.152 1.031) 2.951 1.501 ( 4.458 -1.712 0.918) 4.863 1.684 ( -2.273 6.010 -0.315) 6.433 1.703 ( 0.674 3.996 0.608) 4.098 1.775 ( 0.478 3.169 0.480) 3.241 1.862 ( 2.364 1.807 -0.981) 3.133 2.377 ( 0.550 4.779 -0.165) 4.813 2.587 ( 3.060 1.422 -0.372) 3.394 3.177 ( -4.819 4.394 0.565) 6.546 3.332 ( -5.947 2.967 -0.258) 6.651 3.383 ( -2.348 1.742 0.664) 2.999 3.514 ( 1.145 -3.964 -0.084) 4.127 3.557 ( -1.138 -1.026 3.399) 3.729 3.695 ( -0.181 -2.636 -1.333) 2.960 3.765 ( 1.287 -0.040 -2.902) 3.175 3.967 ( 2.718 -3.319 0.917) 4.387 4.089 ( -1.577 -6.558 2.851) 7.323 4.182 ( -4.631 -4.208 -0.637) 6.290 4.453 ( 0.564 -5.256 0.545) 5.314 4.473 ( -0.057 -6.783 -0.577) 6.808======================= Grid point 268 (99/288) =======================q-point: ( 0.64 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.264 ( -2.782 1.113 -0.406) 3.024 1.465 ( 0.968 0.261 0.219) 1.026 1.539 ( 2.309 -2.890 0.135) 3.702 1.692 ( -3.738 7.166 -0.252) 8.086 1.736 ( -1.473 3.112 0.967) 3.577 1.801 ( -0.534 2.453 0.007) 2.511 1.903 ( 1.139 0.611 -0.535) 1.399 2.423 ( -2.214 6.520 0.008) 6.886 2.636 ( 1.193 0.903 -0.488) 1.574 3.166 ( -3.447 7.825 0.909) 8.599 3.229 ( -9.484 7.316 0.624) 11.994 3.374 ( -1.720 2.112 -0.917) 2.874 3.504 ( -0.562 0.060 -0.833) 1.006 3.552 ( 1.150 -2.181 3.037) 3.912 3.678 ( 0.449 -1.243 0.323) 1.360 3.801 ( 4.015 -1.012 -3.633) 5.508 3.959 ( -1.012 -3.711 1.384) 4.088 4.026 ( 3.884 -9.015 0.613) 9.835 4.089 ( -0.847 -3.683 0.294) 3.790 4.423 ( 2.284 -5.888 0.088) 6.316 4.429 ( 2.361 -6.039 -0.360) 6.494======================= Grid point 269 (100/288) =======================q-point: (-0.29 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.275 ( 1.190 3.683 0.115) 3.872 1.463 ( -0.782 -1.093 0.069) 1.346 1.523 ( 0.161 -4.106 -0.506) 4.141 1.695 ( -4.258 6.714 -0.220) 7.953 1.731 ( -2.314 3.177 0.793) 4.009 1.800 ( -1.928 1.235 0.004) 2.290 1.911 ( -0.450 -0.207 -0.149) 0.517 2.420 ( -4.750 5.078 -0.108) 6.955 2.638 ( -1.160 -0.351 -0.430) 1.286 3.165 ( -4.521 7.034 0.907) 8.411 3.241 ( -1.518 12.128 1.217) 12.284 3.357 ( -1.848 0.760 -1.829) 2.709 3.499 ( -0.517 2.255 -0.006) 2.314 3.545 ( 0.757 -3.756 1.637) 4.167 3.684 ( 1.092 -0.686 0.559) 1.406 3.851 ( 2.827 -1.626 -3.764) 4.980 3.918 ( 1.156 -2.307 2.686) 3.724 3.999 ( 2.731 -8.258 -0.989) 8.754 4.101 ( 4.853 -1.646 0.735) 5.177 4.417 ( 3.425 -4.827 -0.242) 5.923 4.434 ( 4.546 -5.143 -0.082) 6.864======================= Grid point 270 (101/288) =======================q-point: (-0.21 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.359 ( 2.380 5.322 0.106) 5.830 1.417 ( -3.464 -0.942 0.719) 3.661 1.473 ( 0.122 -5.145 -0.764) 5.202 1.669 ( -4.522 3.543 -0.441) 5.762 1.727 ( -3.035 3.826 1.517) 5.114 1.758 ( -3.580 -0.148 -0.720) 3.655 1.877 ( -2.654 -0.918 -0.248) 2.820 2.374 ( -3.907 1.991 -0.225) 4.391 2.593 ( -2.908 -1.544 -0.162) 3.296 3.194 ( -0.927 6.842 1.423) 7.050 3.315 ( -0.526 -1.213 -1.460) 1.969 3.362 ( 0.762 8.737 0.352) 8.777 3.515 ( 1.572 -4.938 0.421) 5.199 3.540 ( 1.745 2.412 1.589) 3.374 3.701 ( 1.941 -0.326 -0.432) 2.015 3.846 ( 0.294 -1.734 -1.349) 2.217 3.919 ( -0.414 -3.148 0.321) 3.192 4.017 ( 6.033 -1.243 0.003) 6.160 4.201 ( 6.283 1.032 0.410) 6.381 4.445 ( 4.045 -2.705 0.029) 4.867 4.480 ( 6.172 -3.655 -0.134) 7.174======================= Grid point 271 (102/288) =======================q-point: (-0.14 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.326 ( -6.435 -0.444 1.012) 6.529 1.389 ( -2.627 0.616 0.403) 2.728 1.481 ( 3.128 0.020 -0.700) 3.206 1.613 ( -4.312 0.074 0.256) 4.320 1.670 ( -5.153 -0.993 -1.137) 5.370 1.684 ( -5.342 0.958 1.356) 5.594 1.828 ( -1.811 -0.142 -0.466) 1.876 2.344 ( -0.583 0.022 -0.509) 0.774 2.503 ( -6.646 0.107 0.061) 6.648 3.234 ( 1.285 -1.212 -0.558) 1.852 3.309 ( -0.068 1.332 0.943) 1.633 3.386 ( -2.392 -0.355 0.513) 2.472 3.576 ( 6.882 2.000 0.024) 7.167 3.585 ( 3.242 -2.767 0.446) 4.286 3.761 ( 4.597 0.224 -0.065) 4.603 3.832 ( 0.619 -1.631 -3.814) 4.194 3.902 ( 0.194 1.893 3.767) 4.220 4.117 ( 4.959 0.732 1.366) 5.196 4.317 ( 6.388 -0.060 -0.325) 6.396 4.498 ( 3.950 -0.321 0.440) 3.988 4.578 ( 7.151 0.089 -0.286) 7.157======================= Grid point 272 (103/288) =======================q-point: (-0.07 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.195 ( -8.895 0.568 0.682) 8.939 1.349 ( -2.047 -0.392 1.354) 2.486 1.481 ( -4.077 -1.453 -0.542) 4.363 1.498 ( -5.512 -1.299 0.386) 5.676 1.562 ( -7.850 -0.129 0.660) 7.878 1.645 ( 0.863 0.022 -0.176) 0.881 1.799 ( -2.170 0.493 -0.607) 2.307 2.303 ( -5.942 -1.769 -2.228) 6.589 2.412 ( -4.882 5.903 1.452) 7.797 3.217 ( -3.515 -2.252 -0.603) 4.218 3.263 ( -1.220 -0.991 0.896) 1.810 3.397 ( 3.392 -1.548 0.276) 3.739 3.617 ( 4.607 -3.513 0.231) 5.798 3.715 ( 7.748 -1.231 -1.412) 7.971 3.823 ( 3.884 -3.286 0.766) 5.145 3.842 ( 2.444 1.508 -3.264) 4.348 3.983 ( 3.940 3.682 5.351) 7.597 4.195 ( 2.892 0.587 2.622) 3.948 4.411 ( 6.531 -3.163 -0.554) 7.277 4.581 ( 4.289 2.590 -0.160) 5.012 4.710 ( 6.843 1.842 -0.034) 7.086======================= Grid point 278 (104/288) =======================q-point: ( 0.36 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.216 ( 0.000 3.755 0.782) 3.836 1.281 ( 0.000 6.838 2.240) 7.195 1.298 ( 0.000 0.547 -0.987) 1.129 1.386 ( 0.000 4.705 1.148) 4.844 1.477 ( 0.000 5.302 0.014) 5.302 1.675 ( 0.000 0.144 -1.673) 1.679 1.789 ( 0.000 3.907 0.269) 3.917 2.306 ( 0.000 6.270 -0.915) 6.337 2.412 ( 0.000 9.772 0.128) 9.772 3.187 ( -0.000 -3.201 -0.025) 3.201 3.268 ( -0.000 3.827 1.789) 4.224 3.335 ( -0.000 -9.735 -0.701) 9.760 3.630 ( -0.000 -1.913 1.029) 2.172 3.780 ( -0.000 -1.887 2.612) 3.222 3.850 ( -0.000 -13.196 1.864) 13.327 3.916 ( 0.000 -1.512 -0.842) 1.731 3.997 ( -0.000 -3.191 0.119) 3.193 4.194 ( -0.000 -0.915 2.057) 2.251 4.417 ( -0.000 -6.705 -0.204) 6.709 4.739 ( -0.000 -4.927 1.229) 5.078 4.808 ( 0.000 -1.699 -0.846) 1.898======================= Grid point 279 (105/288) =======================q-point: ( 0.43 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.245 ( 2.241 0.569 -1.919) 3.005 1.333 ( 2.154 3.871 2.949) 5.322 1.394 ( 4.265 3.285 2.131) 5.789 1.468 ( 5.162 2.460 0.977) 5.801 1.556 ( 1.736 6.432 -0.205) 6.665 1.646 ( -1.057 -2.263 -1.596) 2.964 1.823 ( -0.298 3.021 -0.221) 3.044 2.319 ( -1.007 0.987 -2.919) 3.242 2.514 ( -1.540 10.438 2.174) 10.773 3.147 ( 2.334 -6.779 0.117) 7.170 3.270 ( 3.797 -7.396 -0.282) 8.319 3.305 ( 1.140 -1.344 -0.673) 1.886 3.633 ( -1.366 3.183 3.283) 4.772 3.709 ( -0.496 -12.046 -0.364) 12.062 3.765 ( -0.110 -3.588 1.944) 4.083 3.887 ( -2.064 -1.639 -1.836) 3.212 3.979 ( -0.283 0.432 1.560) 1.643 4.175 ( -0.753 -2.298 2.703) 3.627 4.350 ( -1.028 -5.168 -0.216) 5.274 4.673 ( -3.157 -3.373 1.021) 4.731 4.748 ( -4.512 -2.110 -0.790) 5.043======================= Grid point 280 (106/288) =======================q-point: ( 0.50 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.305 ( 4.618 -0.993 -0.700) 4.775 1.409 ( 1.148 3.353 2.789) 4.509 1.493 ( 1.075 2.896 0.350) 3.109 1.561 ( 3.666 -1.617 0.069) 4.008 1.630 ( 5.054 3.157 -0.913) 6.029 1.676 ( 3.558 3.421 0.842) 5.008 1.838 ( -0.686 2.347 -0.805) 2.574 2.314 ( 0.711 0.756 -1.198) 1.585 2.564 ( -1.927 5.875 0.711) 6.224 3.148 ( 4.823 -5.171 -0.380) 7.081 3.286 ( 5.679 -7.098 -0.534) 9.106 3.318 ( 2.979 -1.535 0.688) 3.421 3.594 ( -1.422 -6.824 -0.586) 6.995 3.639 ( -2.396 1.674 4.864) 5.675 3.720 ( -1.473 -2.369 -1.609) 3.220 3.819 ( -3.204 -0.864 -3.147) 4.574 3.982 ( -1.766 1.643 2.441) 3.431 4.135 ( -1.167 -3.684 3.316) 5.092 4.280 ( -1.395 -4.693 -0.626) 4.936 4.570 ( -5.319 -2.753 1.122) 6.093 4.619 ( -7.122 -2.645 -0.977) 7.659======================= Grid point 281 (107/288) =======================q-point: ( 0.57 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.343 ( 2.092 -4.715 -1.247) 5.307 1.443 ( 0.347 1.608 0.278) 1.668 1.480 ( -2.565 3.420 2.045) 4.739 1.668 ( 6.170 1.378 0.325) 6.330 1.734 ( 2.133 3.182 -1.062) 3.975 1.765 ( 3.328 1.351 1.327) 3.830 1.859 ( 0.530 2.911 -0.978) 3.116 2.372 ( 4.163 2.815 0.043) 5.025 2.586 ( -0.269 3.161 -0.311) 3.187 3.202 ( 4.916 -1.394 -0.720) 5.160 3.316 ( 3.131 -1.531 1.048) 3.640 3.376 ( 6.185 -4.149 0.724) 7.483 3.513 ( -3.997 -0.601 -0.232) 4.048 3.603 ( -2.684 -0.982 3.229) 4.312 3.674 ( -1.443 -0.570 -2.355) 2.820 3.767 ( -1.451 -0.208 -2.933) 3.279 3.952 ( -3.224 0.682 1.497) 3.620 4.070 ( -2.279 -5.178 3.286) 6.543 4.198 ( -2.592 -5.348 -0.818) 5.999 4.453 ( -4.821 -2.832 0.649) 5.629 4.471 ( -5.921 -3.110 -0.592) 6.714======================= Grid point 282 (108/288) =======================q-point: ( 0.64 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.302 ( -1.255 -1.948 -0.921) 2.494 1.465 ( -0.071 1.201 0.149) 1.212 1.487 ( 0.849 -0.326 1.195) 1.502 1.755 ( 1.700 1.574 0.275) 2.333 1.773 ( -0.120 2.292 -0.373) 2.325 1.821 ( 1.684 2.011 0.502) 2.670 1.892 ( 0.541 1.123 -0.680) 1.420 2.488 ( 3.374 5.625 0.054) 6.560 2.621 ( 1.200 1.716 -0.249) 2.108 3.267 ( 0.935 3.683 0.079) 3.801 3.367 ( 2.697 0.702 1.022) 2.969 3.433 ( 3.657 -2.828 0.274) 4.631 3.443 ( -5.665 3.957 -0.401) 6.921 3.562 ( -0.707 -0.376 1.536) 1.732 3.657 ( 0.064 -0.609 -1.116) 1.272 3.751 ( 0.567 -0.920 -2.204) 2.455 3.906 ( -0.772 -2.629 0.618) 2.809 3.964 ( -3.637 -5.925 1.454) 7.103 4.091 ( -3.200 -4.534 0.123) 5.551 4.367 ( -1.588 -3.476 -0.069) 3.822 4.370 ( -1.975 -3.110 -0.003) 3.684======================= Grid point 283 (109/288) =======================q-point: (-0.29 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.285 ( 0.277 0.903 -0.296) 0.990 1.467 ( -0.229 -0.094 0.379) 0.453 1.489 ( 0.110 -1.700 -0.049) 1.704 1.774 ( -0.958 0.915 0.221) 1.343 1.781 ( -0.399 1.572 -0.065) 1.623 1.850 ( -1.945 2.529 0.015) 3.190 1.903 ( 1.094 -0.635 -0.143) 1.273 2.555 ( -3.308 5.694 -0.036) 6.585 2.641 ( 0.669 -0.938 -0.201) 1.170 3.293 ( -3.147 5.343 0.365) 6.212 3.392 ( -2.360 -2.093 -0.666) 3.224 3.402 ( -1.504 4.909 -0.544) 5.163 3.460 ( 0.234 3.450 2.832) 4.470 3.576 ( -2.140 0.298 -0.178) 2.168 3.636 ( 2.641 -3.960 -0.411) 4.777 3.775 ( 3.853 -0.004 -2.796) 4.760 3.868 ( 0.393 -4.790 2.040) 5.221 3.894 ( 1.123 -2.860 -0.315) 3.088 4.031 ( 0.821 -2.001 0.410) 2.202 4.335 ( 1.410 -2.482 -0.097) 2.856 4.340 ( 1.538 -2.520 -0.062) 2.953======================= Grid point 284 (110/288) =======================q-point: (-0.21 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.323 ( 3.251 -0.103 -0.491) 3.290 1.457 ( -1.162 -0.578 0.369) 1.350 1.465 ( -1.436 0.757 0.330) 1.657 1.750 ( -2.550 0.143 0.107) 2.556 1.781 ( -1.094 -0.517 -0.179) 1.223 1.810 ( -3.343 0.294 0.225) 3.363 1.906 ( -0.795 -0.041 -0.295) 0.849 2.487 ( -6.721 0.072 0.045) 6.721 2.627 ( -1.736 0.094 -0.153) 1.745 3.271 ( -3.214 -1.145 -0.285) 3.424 3.330 ( -2.406 1.613 1.182) 3.128 3.441 ( -0.063 5.608 -0.635) 5.644 3.447 ( -1.131 -7.238 0.153) 7.327 3.533 ( 0.220 0.389 0.651) 0.789 3.671 ( 1.652 0.121 -0.173) 1.665 3.826 ( 0.584 0.628 -3.168) 3.282 3.891 ( 4.169 0.006 0.709) 4.229 3.907 ( 3.456 0.028 2.384) 4.198 4.090 ( 6.285 -0.299 -0.012) 6.292 4.369 ( 3.656 0.625 -0.094) 3.710 4.370 ( 3.808 -0.507 0.045) 3.841======================= Grid point 285 (111/288) =======================q-point: (-0.14 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.355 ( 2.743 -5.171 -0.657) 5.890 1.415 ( -3.614 0.774 0.259) 3.705 1.483 ( 0.001 5.349 1.037) 5.449 1.676 ( -4.482 -3.193 0.744) 5.553 1.712 ( -3.296 -3.935 -1.207) 5.273 1.765 ( -3.268 -0.316 0.652) 3.347 1.875 ( -2.690 0.965 -0.497) 2.901 2.377 ( -3.925 -1.852 0.163) 4.343 2.593 ( -2.950 1.657 -0.207) 3.390 3.179 ( -1.082 -6.974 -0.960) 7.123 3.330 ( -0.227 -1.960 0.905) 2.171 3.364 ( 0.434 -5.548 0.934) 5.643 3.510 ( 2.131 4.401 -0.072) 4.890 3.532 ( 1.199 -2.650 -0.088) 2.910 3.704 ( 2.156 0.145 0.018) 2.161 3.827 ( -0.451 1.449 -3.693) 3.993 3.936 ( 0.337 3.825 2.561) 4.616 4.034 ( 6.282 2.100 2.887) 7.225 4.195 ( 6.356 -1.483 -0.731) 6.568 4.446 ( 3.934 2.859 0.251) 4.870 4.480 ( 6.150 3.574 -0.208) 7.116======================= Grid point 286 (112/288) =======================q-point: (-0.07 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.319 ( -2.406 -2.604 -0.572) 3.592 1.357 ( -3.010 0.018 1.581) 3.400 1.522 ( -2.541 -0.230 0.893) 2.704 1.569 ( -3.158 -3.950 0.683) 5.103 1.608 ( -1.404 -2.531 -1.388) 3.210 1.679 ( -5.688 -1.212 0.567) 5.843 1.847 ( -2.216 2.027 -0.536) 3.051 2.329 ( -0.844 -0.397 -0.949) 1.331 2.564 ( -3.974 4.391 0.687) 5.962 3.115 ( 2.688 -7.863 -0.809) 8.349 3.279 ( 3.057 -9.902 -0.477) 10.374 3.345 ( -1.779 0.256 0.489) 1.863 3.541 ( 3.636 -3.254 -0.255) 4.885 3.589 ( 2.700 1.969 1.233) 3.562 3.741 ( 3.003 -1.776 0.572) 3.535 3.840 ( 0.194 3.475 -3.611) 5.015 3.986 ( 0.993 2.359 3.623) 4.436 4.149 ( 3.926 2.201 3.479) 5.689 4.273 ( 5.476 -2.364 -0.843) 6.024 4.554 ( 3.738 4.602 0.434) 5.944 4.626 ( 6.192 3.765 -0.532) 7.266======================= Grid point 293 (113/288) =======================q-point: ( 0.43 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.233 ( 0.000 -0.052 -1.152) 1.153 1.279 ( -0.000 -1.548 -0.119) 1.553 1.436 ( -0.000 4.503 4.718) 6.522 1.441 ( 0.000 1.554 0.285) 1.580 1.601 ( 0.000 5.728 0.039) 5.728 1.636 ( 0.000 -1.020 -1.709) 1.990 1.853 ( 0.000 2.236 -0.478) 2.287 2.333 ( 0.000 0.353 -2.553) 2.578 2.621 ( -0.000 6.771 2.475) 7.209 3.048 ( -0.000 -8.113 0.853) 8.158 3.132 ( -0.000 -9.871 -0.823) 9.906 3.270 ( 0.000 -3.584 -2.261) 4.238 3.574 ( -0.000 -12.654 -0.500) 12.663 3.710 ( -0.000 6.938 3.586) 7.810 3.738 ( -0.000 -3.383 1.979) 3.919 3.914 ( 0.000 1.223 -1.151) 1.679 3.973 ( -0.000 -0.222 0.030) 0.224 4.168 ( -0.000 -1.904 2.836) 3.416 4.325 ( -0.000 -2.302 0.060) 2.303 4.677 ( -0.000 -1.971 0.775) 2.118 4.764 ( -0.000 -2.517 -0.633) 2.596======================= Grid point 294 (114/288) =======================q-point: ( 0.50 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.233 ( 1.887 -1.602 -0.099) 2.478 1.344 ( 7.572 -0.789 -0.310) 7.619 1.469 ( 0.476 0.894 1.381) 1.713 1.504 ( 4.733 1.307 0.964) 5.004 1.622 ( -1.421 1.945 -0.249) 2.422 1.670 ( 1.972 4.121 0.074) 4.569 1.867 ( -0.364 1.765 -0.691) 1.930 2.318 ( -0.739 -0.248 -1.250) 1.473 2.650 ( -2.240 2.786 1.422) 3.847 3.010 ( 4.005 -6.426 -0.136) 7.573 3.086 ( 5.520 -8.818 -0.373) 10.409 3.252 ( 2.561 -3.239 -0.832) 4.212 3.481 ( 1.972 -9.014 -0.623) 9.248 3.701 ( -0.749 -3.231 1.251) 3.544 3.760 ( -2.701 5.821 2.809) 7.005 3.879 ( -3.920 0.862 -2.886) 4.943 4.001 ( 1.562 0.912 0.950) 2.043 4.144 ( -1.629 -1.499 2.982) 3.714 4.289 ( -2.626 -0.882 -0.153) 2.774 4.632 ( -3.553 -1.452 0.851) 3.932 4.697 ( -4.502 -2.668 -0.718) 5.282======================= Grid point 295 (115/288) =======================q-point: ( 0.57 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.253 ( 2.809 -3.168 -0.545) 4.269 1.451 ( 1.296 1.436 -0.081) 1.936 1.529 ( 9.083 -0.563 -0.063) 9.100 1.562 ( -1.585 1.742 1.359) 2.719 1.666 ( 5.296 0.990 0.334) 5.398 1.743 ( 2.389 2.710 -0.026) 3.612 1.880 ( -0.045 1.941 -0.571) 2.024 2.327 ( 2.423 0.618 -0.090) 2.502 2.629 ( -1.834 1.101 0.238) 2.153 3.060 ( 7.279 -2.963 -0.595) 7.882 3.137 ( 9.063 -6.664 -0.715) 11.272 3.286 ( 3.771 -1.679 1.159) 4.288 3.462 ( 3.720 -4.748 -0.257) 6.037 3.655 ( -1.957 -1.776 0.756) 2.748 3.742 ( -5.013 3.312 1.905) 6.303 3.810 ( -3.711 0.747 -3.778) 5.349 4.019 ( -1.132 0.948 0.612) 1.598 4.091 ( -3.305 -1.849 3.075) 4.879 4.213 ( -4.732 -1.620 -0.526) 5.029 4.535 ( -6.044 -1.242 0.734) 6.214 4.568 ( -7.183 -2.120 -0.619) 7.515======================= Grid point 296 (116/288) =======================q-point: ( 0.64 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.265 ( 1.975 -2.073 -0.526) 2.912 1.469 ( 0.315 0.728 0.056) 0.795 1.528 ( -3.344 0.849 0.804) 3.542 1.690 ( 7.726 0.779 -0.044) 7.765 1.752 ( 3.499 -0.453 0.008) 3.528 1.799 ( 1.911 1.388 0.031) 2.362 1.899 ( 0.305 1.168 -0.325) 1.250 2.421 ( 6.815 1.508 0.134) 6.981 2.628 ( 0.325 1.165 0.043) 1.211 3.181 ( 7.836 -0.241 -0.165) 7.841 3.252 ( 10.159 -2.942 -0.985) 10.623 3.343 ( 3.807 -0.529 1.336) 4.069 3.504 ( 3.422 -0.267 -0.454) 3.462 3.587 ( -4.781 -0.900 0.659) 4.909 3.688 ( -3.078 0.894 -0.334) 3.223 3.759 ( -2.646 0.651 -0.956) 2.888 3.973 ( -4.977 0.515 -0.419) 5.021 4.005 ( -5.231 -2.175 2.323) 6.123 4.106 ( -4.188 -2.820 -0.625) 5.087 4.417 ( -6.011 -0.968 0.318) 6.097 4.429 ( -6.542 -1.083 -0.192) 6.634======================= Grid point 297 (117/288) =======================q-point: (-0.29 -0.57 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.281 ( 0.768 0.324 0.119) 0.842 1.476 ( -0.189 0.157 -0.674) 0.718 1.484 ( -1.346 -0.619 0.530) 1.573 1.777 ( 1.732 -0.220 -0.068) 1.748 1.781 ( 0.738 0.245 -0.009) 0.778 1.850 ( 3.330 -0.186 -0.014) 3.336 1.900 ( -1.084 0.287 0.080) 1.124 2.555 ( 6.606 -0.002 0.002) 6.606 2.638 ( -0.834 0.042 0.105) 0.841 3.298 ( 5.842 0.001 -0.099) 5.843 3.387 ( 1.916 -1.290 0.026) 2.310 3.395 ( 2.640 0.619 0.202) 2.720 3.502 ( 1.435 1.075 -1.536) 2.361 3.570 ( 1.530 -1.367 0.446) 2.099 3.629 ( -5.088 0.249 0.252) 5.101 3.740 ( 0.104 1.132 1.027) 1.532 3.883 ( -4.822 -0.406 -0.001) 4.839 3.899 ( -3.462 -0.264 -0.536) 3.513 4.036 ( -2.355 -0.156 -0.107) 2.363 4.333 ( -2.713 -0.010 0.047) 2.713 4.339 ( -2.884 0.031 0.022) 2.884======================= Grid point 298 (118/288) =======================q-point: (-0.21 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.287 ( -0.022 -0.636 0.147) 0.653 1.464 ( -0.193 -0.070 -0.120) 0.238 1.489 ( 0.552 1.564 -0.036) 1.659 1.772 ( -0.773 -1.059 -0.100) 1.315 1.782 ( -0.714 -1.582 0.036) 1.736 1.850 ( -1.703 -2.574 -0.009) 3.087 1.904 ( 0.792 0.817 0.060) 1.140 2.555 ( -3.298 -5.690 0.024) 6.577 2.642 ( 0.717 1.134 0.080) 1.344 3.290 ( -3.217 -5.481 -0.159) 6.357 3.401 ( -1.665 1.355 0.734) 2.269 3.408 ( -1.329 -3.436 0.483) 3.716 3.433 ( -0.862 -4.448 -1.819) 4.882 3.577 ( -1.412 -1.249 0.033) 1.886 3.639 ( 2.421 4.006 0.163) 4.684 3.805 ( 4.943 2.504 2.381) 6.031 3.843 ( -1.059 3.082 -2.126) 3.891 3.898 ( 1.405 2.934 0.214) 3.260 4.027 ( 0.882 1.748 -0.233) 1.972 4.335 ( 1.461 2.545 0.039) 2.935 4.340 ( 1.527 2.582 0.034) 3.000======================= Grid point 299 (119/288) =======================q-point: (-0.14 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.272 ( 0.854 -3.580 -0.411) 3.704 1.463 ( -0.773 1.181 0.021) 1.412 1.531 ( 0.649 4.061 0.717) 4.175 1.696 ( -4.176 -7.124 -0.091) 8.259 1.727 ( -2.431 -2.823 0.030) 3.726 1.800 ( -1.873 -1.531 0.029) 2.419 1.911 ( -0.585 0.421 -0.295) 0.778 2.421 ( -4.630 -5.119 0.138) 6.903 2.640 ( -1.273 0.531 0.034) 1.380 3.158 ( -5.099 -7.088 -0.141) 8.733 3.230 ( -1.282 -12.314 -0.713) 12.401 3.374 ( -1.357 -1.189 1.062) 2.093 3.508 ( 0.233 0.514 1.665) 1.758 3.526 ( 0.315 1.359 -1.682) 2.186 3.679 ( 0.960 0.128 -0.411) 1.052 3.859 ( -0.690 3.855 -2.633) 4.719 3.919 ( 4.215 0.159 2.873) 5.103 4.010 ( 3.706 8.897 1.034) 9.693 4.093 ( 4.522 1.326 -0.636) 4.755 4.420 ( 3.518 4.905 0.249) 6.041 4.433 ( 4.446 5.123 -0.138) 6.785======================= Grid point 300 (120/288) =======================q-point: (-0.07 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.252 ( 1.940 -4.675 -0.239) 5.068 1.449 ( -3.295 2.177 -0.377) 3.967 1.526 ( -4.276 -10.267 0.090) 11.122 1.578 ( -0.314 2.747 0.908) 2.910 1.640 ( -3.284 -2.981 0.458) 4.459 1.740 ( -3.241 -1.786 -0.046) 3.700 1.899 ( -1.513 1.326 -0.436) 2.059 2.335 ( -1.184 -1.677 -0.100) 2.056 2.630 ( -0.869 1.623 0.185) 1.850 3.011 ( -1.290 -9.660 -0.502) 9.758 3.122 ( 1.812 -10.669 -0.299) 10.826 3.348 ( 0.051 -1.883 0.261) 1.902 3.463 ( -0.042 -4.321 0.557) 4.357 3.597 ( 1.937 3.107 0.337) 3.677 3.698 ( 1.069 0.436 0.159) 1.165 3.879 ( -0.768 4.332 -3.353) 5.531 3.978 ( 2.160 -0.189 3.066) 3.755 4.134 ( 2.530 3.979 2.659) 5.414 4.193 ( 3.968 3.694 -1.117) 5.535 4.537 ( 3.840 5.182 0.696) 6.488 4.570 ( 5.213 4.770 -0.630) 7.094======================= Grid point 308 (121/288) =======================q-point: ( 0.50 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.204 ( -0.000 -2.503 0.294) 2.520 1.250 ( -0.000 -1.219 -0.088) 1.222 1.463 ( -0.000 0.692 0.299) 0.754 1.485 ( 0.000 1.123 0.096) 1.127 1.658 ( -0.000 1.808 0.670) 1.928 1.687 ( 0.000 2.967 -0.133) 2.970 1.884 ( 0.000 1.570 -0.461) 1.636 2.317 ( 0.000 -1.136 -0.854) 1.421 2.687 ( -0.000 0.114 1.144) 1.150 2.907 ( -0.000 -5.651 -0.497) 5.673 2.959 ( -0.000 -6.870 -0.155) 6.872 3.191 ( -0.000 -2.966 -0.103) 2.968 3.388 ( -0.000 -5.630 -0.642) 5.666 3.673 ( -0.000 -3.139 0.115) 3.141 3.845 ( -0.000 4.665 1.707) 4.967 3.938 ( 0.000 1.311 -0.812) 1.542 3.975 ( 0.000 0.297 -0.474) 0.559 4.156 ( -0.000 -0.464 2.599) 2.640 4.319 ( 0.000 1.080 -0.056) 1.081 4.654 ( -0.000 -0.869 0.757) 1.153 4.708 ( -0.000 -2.602 -0.620) 2.675======================= Grid point 309 (122/288) =======================q-point: ( 0.57 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.192 ( 1.407 -1.684 -0.261) 2.210 1.324 ( 8.933 -0.691 -0.206) 8.962 1.487 ( -0.203 1.108 -0.224) 1.148 1.519 ( 4.500 -0.145 0.946) 4.601 1.661 ( -0.995 0.949 0.290) 1.405 1.726 ( 1.878 1.525 -0.197) 2.427 1.897 ( -0.209 1.234 -0.042) 1.252 2.305 ( 0.309 -0.524 -0.146) 0.625 2.665 ( -1.882 -0.521 0.313) 1.977 2.916 ( 5.910 -2.395 -1.525) 6.557 2.950 ( 5.180 -4.064 -0.084) 6.585 3.205 ( 3.600 -1.315 1.764) 4.219 3.367 ( 2.285 -2.547 -0.363) 3.442 3.648 ( 0.013 -1.637 -0.313) 1.667 3.860 ( -2.361 2.686 0.868) 3.679 3.879 ( -5.432 0.218 -1.642) 5.679 4.013 ( 1.730 0.132 -0.221) 1.750 4.136 ( -2.289 -0.502 2.015) 3.090 4.296 ( -3.951 0.803 -0.028) 4.032 4.615 ( -3.765 -0.514 0.558) 3.841 4.649 ( -4.207 -1.533 -0.414) 4.497======================= Grid point 310 (123/288) =======================q-point: (-0.36 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.216 ( 2.322 0.191 -0.205) 2.339 1.468 ( 1.708 0.082 0.411) 1.758 1.525 ( 9.433 0.090 -0.437) 9.443 1.575 ( -0.172 -0.412 0.598) 0.746 1.674 ( 3.650 -0.252 -0.410) 3.681 1.772 ( 2.291 0.027 -0.242) 2.304 1.902 ( 0.049 0.245 0.328) 0.413 2.333 ( 3.527 -0.005 0.070) 3.528 2.636 ( -0.902 -0.062 0.128) 0.913 3.042 ( 7.946 -0.847 -0.138) 7.992 3.049 ( 10.205 1.061 -1.542) 10.375 3.271 ( 4.093 -0.185 1.744) 4.453 3.415 ( 4.700 0.001 0.086) 4.701 3.634 ( -1.044 -0.162 -0.562) 1.197 3.770 ( -5.868 -0.828 -2.024) 6.262 3.829 ( -3.691 1.469 1.873) 4.392 4.018 ( -0.848 -0.419 -1.932) 2.151 4.078 ( -4.108 -0.686 2.037) 4.636 4.202 ( -6.965 0.079 -0.259) 6.970 4.523 ( -6.294 -0.230 0.157) 6.300 4.544 ( -6.870 0.207 0.014) 6.873======================= Grid point 311 (124/288) =======================q-point: (-0.29 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.271 ( 2.127 2.655 0.516) 3.441 1.466 ( 0.156 -0.943 -0.297) 1.001 1.522 ( -3.415 -1.578 -0.348) 3.778 1.691 ( 7.705 -0.747 0.197) 7.744 1.747 ( 3.747 0.258 -0.823) 3.845 1.799 ( 1.788 -1.410 0.054) 2.278 1.904 ( 0.281 -0.730 0.597) 0.984 2.419 ( 6.819 -1.610 -0.085) 7.008 2.630 ( 0.363 -1.056 0.373) 1.178 3.179 ( 7.913 0.365 -0.579) 7.943 3.257 ( 10.365 3.470 -0.282) 10.934 3.336 ( 3.145 -0.564 0.203) 3.201 3.506 ( 4.186 0.723 -0.207) 4.253 3.572 ( -5.459 -0.520 -1.686) 5.737 3.690 ( -2.510 -0.375 -0.013) 2.538 3.785 ( -2.854 1.024 3.413) 4.565 3.968 ( -3.801 -0.185 -2.462) 4.532 3.985 ( -6.260 -0.233 0.061) 6.265 4.109 ( -4.282 3.149 -0.063) 5.316 4.415 ( -5.882 0.738 -0.056) 5.929 4.431 ( -6.663 1.274 0.219) 6.787======================= Grid point 312 (125/288) =======================q-point: (-0.21 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.314 ( -1.572 2.345 1.135) 3.042 1.462 ( -0.610 -1.600 -0.425) 1.765 1.473 ( 1.893 0.082 -1.204) 2.245 1.752 ( 1.631 -1.875 -0.266) 2.499 1.777 ( -0.338 -1.890 0.411) 1.964 1.814 ( 2.009 -2.287 -0.547) 3.093 1.900 ( 0.399 -0.887 0.732) 1.217 2.487 ( 3.455 -5.683 -0.087) 6.651 2.624 ( 1.133 -1.527 0.329) 1.930 3.267 ( 0.244 -3.892 0.178) 3.904 3.350 ( 3.561 -0.329 -1.996) 4.095 3.434 ( 3.623 2.571 0.450) 4.465 3.447 ( -6.107 -4.762 0.238) 7.748 3.545 ( 0.035 0.266 -1.434) 1.459 3.667 ( -0.420 1.348 0.623) 1.543 3.785 ( 0.630 1.142 3.792) 4.011 3.899 ( -0.763 2.611 -0.700) 2.809 3.940 ( -2.950 4.798 -2.879) 6.325 4.090 ( -3.569 4.863 -0.045) 6.032 4.368 ( -1.367 3.565 0.110) 3.820 4.370 ( -2.138 3.033 -0.008) 3.711======================= Grid point 313 (126/288) =======================q-point: (-0.14 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.269 ( -3.292 -1.113 0.492) 3.509 1.463 ( 1.320 -0.129 -0.085) 1.329 1.534 ( 2.920 2.767 -0.635) 4.073 1.695 ( -4.069 -7.207 0.232) 8.279 1.728 ( -1.225 -3.407 -0.469) 3.651 1.800 ( -0.492 -2.426 -0.050) 2.476 1.908 ( 0.831 -0.369 0.454) 1.016 2.422 ( -2.165 -6.537 -0.109) 6.887 2.640 ( 1.173 -0.858 0.194) 1.466 3.159 ( -3.511 -8.069 -0.328) 8.806 3.227 ( -9.963 -7.225 0.293) 12.310 3.378 ( -0.849 -1.856 -0.351) 2.071 3.517 ( 2.300 3.973 0.891) 4.677 3.520 ( -1.039 -2.239 -1.815) 3.064 3.677 ( -0.283 0.863 0.192) 0.929 3.841 ( 4.090 1.076 3.513) 5.498 3.935 ( -2.134 3.823 -2.902) 5.253 4.015 ( 5.532 8.301 -1.066) 10.032 4.090 ( -1.096 4.248 0.422) 4.408 4.421 ( 2.462 5.600 -0.216) 6.121 4.432 ( 2.243 6.318 0.254) 6.709======================= Grid point 314 (127/288) =======================q-point: (-0.07 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.207 ( -1.513 -2.620 -0.000) 3.026 1.490 ( 0.215 0.372 0.000) 0.429 1.510 ( -5.729 -9.922 0.000) 11.457 1.599 ( 1.064 1.843 0.000) 2.128 1.652 ( -2.249 -3.895 0.000) 4.497 1.759 ( -1.419 -2.459 0.000) 2.839 1.917 ( 0.195 0.339 -0.000) 0.391 2.337 ( -1.583 -2.743 -0.000) 3.167 2.644 ( 0.033 0.057 0.000) 0.065 2.975 ( -5.999 -10.390 -0.000) 11.997 3.045 ( -3.481 -6.029 -0.000) 6.962 3.334 ( -1.091 -1.890 0.000) 2.183 3.446 ( -2.237 -3.874 0.000) 4.474 3.590 ( 0.925 1.601 -0.000) 1.849 3.696 ( 1.409 2.440 0.000) 2.817 3.931 ( 1.715 2.970 0.000) 3.429 3.933 ( 0.659 1.142 -0.000) 1.318 4.131 ( 1.568 2.716 0.000) 3.136 4.189 ( 4.379 7.585 0.000) 8.758 4.532 ( 3.233 5.599 0.000) 6.465 4.545 ( 3.338 5.781 -0.000) 6.676======================= Grid point 324 (128/288) =======================q-point: (-0.43 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.170 ( 0.000 -0.125 -0.523) 0.538 1.235 ( 0.000 -0.023 -0.606) 0.607 1.472 ( -0.000 -0.029 0.773) 0.774 1.502 ( -0.000 0.144 0.604) 0.621 1.673 ( 0.000 -0.261 -0.163) 0.308 1.716 ( 0.000 0.020 -0.316) 0.317 1.907 ( -0.000 0.190 0.467) 0.504 2.302 ( -0.000 0.247 0.332) 0.414 2.678 ( 0.000 -0.397 -0.440) 0.592 2.841 ( 0.000 -0.110 -2.966) 2.968 2.887 ( -0.000 0.052 0.434) 0.437 3.170 ( -0.000 0.324 3.643) 3.658 3.336 ( 0.000 0.096 -0.410) 0.421 3.637 ( 0.000 -0.017 -0.639) 0.639 3.883 ( 0.000 -0.714 -2.628) 2.724 3.958 ( -0.000 0.390 1.606) 1.653 3.977 ( 0.000 0.111 -0.909) 0.916 4.154 ( -0.000 -0.657 1.101) 1.282 4.337 ( -0.000 0.009 0.162) 0.162 4.646 ( -0.000 -0.247 0.205) 0.321 4.677 ( 0.000 0.220 -0.048) 0.225======================= Grid point 325 (129/288) =======================q-point: (-0.36 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.191 ( 1.623 1.714 -0.488) 2.410 1.323 ( 9.129 0.751 -0.418) 9.169 1.492 ( -0.636 -1.006 0.725) 1.394 1.516 ( 4.541 -0.309 0.480) 4.576 1.655 ( -1.017 -1.300 -0.667) 1.780 1.726 ( 1.882 -1.501 -0.358) 2.434 1.902 ( -0.203 -0.866 0.868) 1.243 2.309 ( 0.104 0.879 0.562) 1.048 2.659 ( -1.576 -0.023 -0.781) 1.759 2.908 ( 6.273 2.609 -2.807) 7.351 2.952 ( 5.114 4.075 0.285) 6.545 3.218 ( 3.010 1.499 3.858) 5.118 3.368 ( 2.308 2.662 -0.278) 3.534 3.645 ( -0.023 1.467 -0.843) 1.692 3.828 ( -3.475 -3.121 -3.718) 5.970 3.910 ( -3.637 0.418 2.772) 4.592 4.005 ( 1.266 -0.517 -1.693) 2.177 4.129 ( -2.201 -0.705 0.744) 2.428 4.296 ( -3.973 -0.802 0.031) 4.054 4.612 ( -3.777 0.164 -0.072) 3.781 4.652 ( -4.191 1.807 0.216) 4.569======================= Grid point 326 (130/288) =======================q-point: (-0.29 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.257 ( 3.189 3.290 0.099) 4.582 1.452 ( 0.562 -1.977 0.199) 2.065 1.526 ( 8.936 -0.007 -0.490) 8.949 1.556 ( -0.971 -1.451 0.196) 1.757 1.658 ( 5.066 -0.875 -1.095) 5.257 1.743 ( 2.504 -2.702 -0.038) 3.684 1.889 ( -0.042 -1.788 0.969) 2.034 2.329 ( 2.073 -0.357 0.291) 2.123 2.627 ( -1.311 -1.287 -0.118) 1.841 3.056 ( 7.489 3.284 -1.243) 8.271 3.138 ( 9.278 6.902 -0.467) 11.573 3.290 ( 2.648 1.215 1.919) 3.489 3.462 ( 3.724 4.735 -0.393) 6.036 3.638 ( -3.031 0.167 -2.127) 3.707 3.726 ( -2.983 -2.038 -1.285) 3.834 3.853 ( -3.648 -0.282 4.038) 5.449 3.997 ( -1.041 -0.877 -3.364) 3.629 4.076 ( -3.922 0.294 0.472) 3.961 4.214 ( -4.513 1.802 -0.270) 4.867 4.529 ( -6.021 0.957 -0.283) 6.103 4.573 ( -7.180 2.308 0.366) 7.551======================= Grid point 327 (131/288) =======================q-point: (-0.21 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.355 ( 2.854 4.684 0.824) 5.546 1.431 ( 0.996 -2.428 -1.632) 3.091 1.468 ( -3.895 -3.104 -0.016) 4.981 1.667 ( 5.792 -1.796 0.053) 6.064 1.741 ( 3.661 -1.336 -0.420) 3.919 1.752 ( 2.195 -2.941 -0.323) 3.684 1.870 ( 0.555 -2.794 0.921) 2.994 2.372 ( 3.946 -2.529 0.107) 4.688 2.590 ( -0.018 -3.198 0.390) 3.221 3.205 ( 5.507 2.005 -0.374) 5.873 3.307 ( 0.836 -0.087 -0.237) 0.873 3.368 ( 7.069 4.931 -0.669) 8.645 3.516 ( -4.515 -0.268 0.207) 4.528 3.567 ( -0.868 1.528 -3.096) 3.560 3.693 ( -1.287 1.344 1.114) 2.169 3.808 ( -1.913 -0.303 4.265) 4.684 3.934 ( -2.871 -1.540 -1.737) 3.692 4.034 ( -2.553 5.001 -2.855) 6.299 4.203 ( -2.529 5.621 0.117) 6.165 4.447 ( -4.506 2.469 -0.375) 5.152 4.477 ( -6.165 3.384 0.427) 7.046======================= Grid point 328 (132/288) =======================q-point: (-0.14 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.350 ( -5.787 0.121 0.909) 5.859 1.418 ( 2.226 -2.691 -0.687) 3.559 1.489 ( 4.729 2.428 -1.104) 5.430 1.680 ( -0.679 -5.496 -0.740) 5.587 1.706 ( -1.421 -4.748 0.907) 5.038 1.769 ( 1.074 -3.017 -0.627) 3.263 1.872 ( 2.235 -1.845 0.774) 3.000 2.377 ( 0.434 -4.422 -0.057) 4.443 2.591 ( 2.978 -1.649 0.340) 3.421 3.176 ( -5.327 -4.461 0.419) 6.961 3.333 ( -4.170 -2.297 -0.157) 4.763 3.371 ( -2.877 -1.607 -1.387) 3.575 3.512 ( 2.509 4.526 -0.380) 5.189 3.534 ( -2.709 -0.516 -0.716) 2.850 3.703 ( -1.009 2.086 0.243) 2.330 3.805 ( 1.613 0.208 4.047) 4.361 3.950 ( 3.151 2.735 -2.217) 4.725 4.052 ( -1.321 6.526 -3.533) 7.537 4.190 ( -4.615 4.628 0.816) 6.587 4.448 ( 0.567 4.923 -0.366) 4.969 4.478 ( -0.009 7.027 0.359) 7.037======================= Grid point 339 (133/288) =======================q-point: (-0.36 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.199 ( 0.000 2.813 -0.413) 2.843 1.246 ( 0.000 1.351 -0.680) 1.512 1.466 ( -0.000 -0.889 0.806) 1.200 1.485 ( -0.000 -2.382 0.062) 2.383 1.651 ( -0.000 -1.396 -0.407) 1.454 1.686 ( -0.000 -2.929 -0.375) 2.953 1.894 ( -0.000 -1.430 1.165) 1.844 2.329 ( -0.000 1.732 1.310) 2.172 2.670 ( 0.000 -0.677 -1.734) 1.862 2.886 ( 0.000 5.848 -3.732) 6.937 2.965 ( 0.000 7.027 0.748) 7.066 3.224 ( -0.000 3.094 5.311) 6.146 3.387 ( 0.000 5.641 -0.841) 5.703 3.665 ( 0.000 2.779 -1.158) 3.011 3.810 ( 0.000 -5.112 -3.965) 6.469 3.953 ( -0.000 -1.415 1.539) 2.091 3.974 ( 0.000 -0.042 -0.765) 0.767 4.142 ( -0.000 -0.404 0.283) 0.493 4.319 ( -0.000 -1.202 -0.037) 1.203 4.649 ( 0.000 0.642 -0.129) 0.654 4.713 ( 0.000 2.715 0.177) 2.721======================= Grid point 340 (134/288) =======================q-point: (-0.29 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.235 ( 1.944 2.177 0.242) 2.928 1.347 ( 7.943 1.186 0.285) 8.036 1.448 ( 0.199 -3.676 -1.932) 4.158 1.500 ( 4.561 -1.353 0.105) 4.759 1.627 ( -1.511 -0.463 0.475) 1.651 1.668 ( 2.015 -4.153 -0.263) 4.624 1.877 ( -0.381 -1.989 0.967) 2.244 2.333 ( -1.197 0.925 1.304) 1.997 2.634 ( -1.601 -3.120 -1.297) 3.739 2.997 ( 4.847 6.881 -2.398) 8.752 3.089 ( 5.144 8.970 0.236) 10.343 3.280 ( 1.406 2.763 3.784) 4.892 3.477 ( 2.046 8.775 -1.444) 9.126 3.679 ( -1.870 0.722 -2.274) 3.032 3.732 ( -1.101 -3.644 -2.224) 4.409 3.909 ( -2.793 -1.174 2.655) 4.028 3.984 ( 0.578 -0.769 -2.005) 2.224 4.129 ( -1.705 0.840 0.446) 1.952 4.288 ( -2.553 0.831 -0.382) 2.711 4.625 ( -3.636 1.227 -0.296) 3.848 4.702 ( -4.413 2.752 0.167) 5.203======================= Grid point 341 (135/288) =======================q-point: (-0.21 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.312 ( 4.503 1.544 0.599) 4.798 1.374 ( 0.635 -5.729 -2.850) 6.430 1.499 ( 2.566 -1.617 1.047) 3.209 1.562 ( 3.624 0.586 0.087) 3.673 1.634 ( 4.478 -1.267 -0.326) 4.665 1.669 ( 3.031 -4.378 -0.114) 5.326 1.846 ( -0.503 -2.533 0.644) 2.662 2.327 ( 0.191 0.026 1.074) 1.091 2.558 ( -1.259 -6.179 -0.357) 6.316 3.144 ( 5.222 5.517 -1.056) 7.669 3.290 ( 6.485 7.470 -0.001) 9.892 3.318 ( 0.771 0.320 0.869) 1.204 3.589 ( -1.413 0.334 -4.100) 4.349 3.595 ( -1.768 5.555 -0.470) 5.849 3.732 ( -0.344 2.510 0.583) 2.600 3.856 ( -2.996 -0.256 3.240) 4.420 3.954 ( -2.085 -2.033 -2.340) 3.736 4.111 ( -1.977 3.257 -0.870) 3.908 4.283 ( -1.044 5.058 -0.036) 5.165 4.559 ( -5.480 2.161 -0.893) 5.958 4.628 ( -6.908 3.008 0.524) 7.552======================= Grid point 342 (136/288) =======================q-point: (-0.14 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.334 ( 2.310 -5.853 -1.865) 6.563 1.392 ( 2.378 -1.769 -0.785) 3.066 1.475 ( -1.506 2.789 1.280) 3.419 1.615 ( 2.335 -3.729 -0.479) 4.426 1.664 ( 1.681 -4.707 1.032) 5.104 1.691 ( 3.410 -4.271 -1.415) 5.645 1.825 ( 0.693 -1.702 0.847) 2.024 2.341 ( 0.514 -0.816 0.921) 1.333 2.504 ( 3.362 -5.444 -0.113) 6.400 3.230 ( -2.288 0.225 0.756) 2.420 3.315 ( 1.935 0.793 -1.450) 2.545 3.390 ( 0.495 -2.178 -0.932) 2.420 3.577 ( -0.862 6.281 -0.047) 6.340 3.589 ( -5.276 1.683 -1.010) 5.630 3.760 ( -1.697 4.219 0.498) 4.575 3.810 ( -2.109 -0.517 3.901) 4.464 3.924 ( 1.573 1.963 -4.000) 4.725 4.128 ( -1.258 4.823 -2.486) 5.570 4.315 ( -3.264 5.354 0.671) 6.306 4.501 ( -2.604 3.286 -0.859) 4.280 4.576 ( -3.381 6.248 0.565) 7.126======================= Grid point 354 (137/288) =======================q-point: (-0.29 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.249 ( -0.000 1.153 1.812) 2.148 1.280 ( 0.000 1.997 0.021) 1.997 1.391 ( 0.000 -6.306 -3.221) 7.081 1.440 ( -0.000 -2.066 0.080) 2.067 1.599 ( -0.000 -5.632 -0.225) 5.637 1.651 ( -0.000 1.604 0.861) 1.820 1.860 ( -0.000 -2.698 0.689) 2.785 2.358 ( -0.000 0.185 1.698) 1.708 2.598 ( -0.000 -6.835 -1.473) 6.992 3.030 ( 0.000 9.164 -2.232) 9.432 3.141 ( 0.000 9.891 0.630) 9.911 3.301 ( -0.000 1.757 2.961) 3.442 3.560 ( 0.000 12.124 -3.013) 12.493 3.673 ( 0.000 -6.282 -2.773) 6.867 3.720 ( 0.000 2.935 -1.172) 3.160 3.925 ( -0.000 -1.413 0.812) 1.630 3.974 ( -0.000 0.374 0.187) 0.418 4.156 ( -0.000 1.583 0.734) 1.745 4.321 ( 0.000 2.288 -0.583) 2.361 4.671 ( 0.000 1.728 -0.362) 1.766 4.768 ( 0.000 2.596 -0.045) 2.596======================= Grid point 355 (138/288) =======================q-point: (-0.21 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.259 ( 2.041 -2.196 -0.230) 3.007 1.297 ( 0.259 -4.824 -1.502) 5.059 1.395 ( 6.275 -0.177 1.280) 6.406 1.458 ( 4.729 -3.139 -0.828) 5.736 1.558 ( 2.183 -6.354 0.246) 6.723 1.658 ( -1.492 2.183 0.309) 2.662 1.827 ( -0.222 -3.365 0.333) 3.389 2.341 ( -1.019 -1.387 0.605) 1.825 2.500 ( -1.287 -9.661 0.093) 9.746 3.140 ( 2.548 7.618 -0.965) 8.090 3.269 ( 2.876 5.424 -0.421) 6.154 3.311 ( 1.464 0.541 0.337) 1.597 3.605 ( -1.777 -1.096 -1.530) 2.589 3.692 ( 0.473 12.360 -3.494) 12.854 3.752 ( 0.664 2.493 -0.018) 2.580 3.903 ( -1.538 0.432 0.817) 1.794 3.970 ( -1.519 0.158 0.300) 1.557 4.163 ( -1.159 1.984 0.519) 2.356 4.349 ( -0.700 5.549 -0.247) 5.598 4.660 ( -3.485 2.660 -1.139) 4.530 4.754 ( -4.222 2.532 0.281) 4.931======================= Grid point 356 (139/288) =======================q-point: (-0.14 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.217 ( 2.401 -8.599 -3.481) 9.583 1.322 ( 3.319 -0.747 1.784) 3.841 1.479 ( 2.799 -1.088 0.882) 3.130 1.507 ( 5.232 -6.243 -1.400) 8.265 1.550 ( 3.972 -5.642 0.702) 6.936 1.649 ( -0.813 0.210 -0.199) 0.864 1.801 ( 0.614 -2.306 0.373) 2.415 2.333 ( 3.012 -1.829 -0.511) 3.561 2.380 ( -1.255 -9.400 1.526) 9.606 3.239 ( 3.341 -1.593 -1.725) 4.083 3.256 ( 0.832 -1.628 -0.019) 1.829 3.397 ( -0.542 4.019 -0.403) 4.076 3.617 ( 1.018 5.759 -0.150) 5.850 3.732 ( -4.940 4.935 -0.168) 6.984 3.814 ( 0.060 4.748 0.797) 4.815 3.902 ( -3.867 5.055 0.919) 6.430 3.921 ( -1.081 0.342 -3.575) 3.750 4.176 ( -0.116 2.969 -0.511) 3.015 4.405 ( -0.624 6.850 0.908) 6.938 4.603 ( -5.593 2.865 -2.232) 6.669 4.704 ( -4.680 4.784 0.880) 6.750======================= Grid point 369 (140/288) =======================q-point: (-0.21 -0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.169 ( 0.000 -9.613 -4.662) 10.684 1.305 ( -0.000 -0.885 0.148) 0.898 1.311 ( -0.000 -0.757 4.696) 4.757 1.379 ( -0.000 -4.076 0.011) 4.076 1.476 ( -0.000 -5.612 -0.154) 5.615 1.686 ( -0.000 0.071 0.072) 0.101 1.789 ( -0.000 -4.331 0.268) 4.339 2.288 ( -0.000 -11.165 -3.329) 11.651 2.437 ( -0.000 -5.034 3.656) 6.222 3.177 ( 0.000 -0.485 -1.805) 1.869 3.252 ( 0.000 -1.472 -0.835) 1.692 3.337 ( 0.000 9.362 -0.291) 9.367 3.629 ( 0.000 2.885 0.671) 2.962 3.763 ( 0.000 3.501 -0.863) 3.606 3.810 ( 0.000 11.380 -4.501) 12.237 3.923 ( 0.000 1.429 0.434) 1.494 4.006 ( -0.000 3.267 1.948) 3.804 4.189 ( -0.000 0.826 1.057) 1.342 4.417 ( 0.000 7.132 -0.190) 7.135 4.719 ( 0.000 3.679 -1.946) 4.162 4.816 ( 0.000 2.582 0.528) 2.636======================= Grid point 370 (141/288) =======================q-point: (-0.14 -0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.071 ( 2.084 -11.328 -4.492) 12.363 1.284 ( 1.063 -1.584 2.599) 3.224 1.332 ( 4.408 -8.266 -0.192) 9.370 1.397 ( 4.774 -2.987 2.160) 6.032 1.457 ( 1.909 -1.973 -0.298) 2.761 1.654 ( -0.909 -4.050 0.254) 4.158 1.756 ( 0.876 -3.586 -0.038) 3.692 2.156 ( 2.805 -16.439 -2.867) 16.921 2.400 ( -2.062 -0.310 3.031) 3.678 3.099 ( 1.974 -12.269 -3.342) 12.868 3.287 ( -0.283 5.074 0.959) 5.172 3.443 ( 1.343 6.382 -0.567) 6.547 3.670 ( -0.041 6.546 0.281) 6.553 3.803 ( 0.499 2.262 2.712) 3.567 3.889 ( -1.440 6.929 -3.669) 7.972 3.938 ( -0.734 2.977 -2.345) 3.860 4.035 ( -3.056 7.464 1.468) 8.198 4.192 ( 0.084 0.386 1.109) 1.177 4.488 ( -0.471 7.680 0.489) 7.710 4.718 ( -4.048 3.801 -3.305) 6.462 4.820 ( -3.062 4.527 1.251) 5.606======================= Grid point 384 (142/288) =======================q-point: (-0.14 -0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.918 ( -0.000 -13.583 -4.450) 14.294 1.167 ( -0.000 -11.808 -1.449) 11.896 1.284 ( -0.000 -6.341 1.105) 6.437 1.314 ( -0.000 -1.778 4.724) 5.047 1.439 ( 0.000 1.074 0.188) 1.090 1.593 ( -0.000 -9.268 1.341) 9.364 1.705 ( -0.000 -5.679 -1.433) 5.857 1.944 ( -0.000 -18.637 -1.900) 18.734 2.430 ( -0.000 1.579 1.783) 2.382 2.938 ( -0.000 -14.589 -3.544) 15.013 3.344 ( -0.000 3.949 1.514) 4.229 3.485 ( 0.000 5.337 -1.201) 5.470 3.741 ( 0.000 7.228 0.465) 7.243 3.818 ( -0.000 1.883 4.360) 4.750 3.949 ( 0.000 4.213 -3.844) 5.703 3.986 ( 0.000 4.484 0.092) 4.485 4.151 ( 0.000 9.916 -0.782) 9.947 4.188 ( -0.000 -1.163 2.062) 2.367 4.568 ( 0.000 7.157 -0.079) 7.158 4.789 ( 0.000 4.300 -3.698) 5.672 4.901 ( 0.000 5.989 1.443) 6.161======================= Grid point 431 (143/288) =======================q-point: ( 0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.199 ( -0.000 0.000 16.966) 16.966 0.199 ( -0.000 0.000 16.966) 16.966 0.210 ( -0.000 0.000 21.054) 21.054 0.951 ( 0.000 -0.000 -2.554) 2.554 0.951 ( 0.000 -0.000 -2.554) 2.554 1.503 ( -0.000 0.000 0.437) 0.437 1.503 ( -0.000 0.000 0.437) 0.437 1.529 ( 0.000 -0.000 -4.629) 4.629 2.417 ( -0.000 0.000 8.757) 8.757 2.417 ( -0.000 0.000 8.757) 8.757 2.586 ( -0.000 0.000 0.120) 0.120 3.411 ( 0.000 -0.000 -4.572) 4.572 3.411 ( 0.000 -0.000 -4.572) 4.572 4.035 ( 0.000 -0.000 -0.070) 0.070 4.035 ( 0.000 -0.000 -0.070) 0.070 4.189 ( -0.000 0.000 0.312) 0.312 4.189 ( -0.000 0.000 0.312) 0.312 4.394 ( 0.000 -0.000 -2.457) 2.457 4.597 ( -0.000 0.000 8.009) 8.009 5.026 ( 0.000 -0.000 -0.104) 0.104 5.233 ( -0.000 0.000 3.943) 3.943======================= Grid point 432 (144/288) =======================q-point: ( 0.21 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.367 ( 10.831 6.253 12.593) 17.748 0.514 ( 17.040 9.838 6.434) 20.701 0.676 ( 24.231 13.990 5.806) 28.575 0.992 ( 4.289 2.477 -3.021) 5.802 1.083 ( 9.893 5.712 -3.174) 11.856 1.491 ( 0.407 0.235 -0.577) 0.745 1.502 ( -0.434 -0.251 0.716) 0.874 1.565 ( 3.714 2.144 -3.572) 5.582 2.504 ( 5.961 3.441 9.262) 11.539 2.554 ( -2.642 -1.525 -0.694) 3.129 3.392 ( -0.579 -0.334 -4.932) 4.978 3.465 ( 4.973 2.871 -3.256) 6.601 3.535 ( 26.057 15.044 -36.118) 47.008 4.004 ( -3.130 -1.807 0.178) 3.618 4.013 ( -1.454 -0.840 1.048) 1.979 4.155 ( -2.643 -1.526 0.090) 3.054 4.185 ( -0.548 -0.316 0.334) 0.715 4.470 ( 1.834 1.059 -7.145) 7.452 4.587 ( -1.217 -0.703 2.361) 2.748 4.984 ( -3.542 -2.045 0.272) 4.099 5.192 ( -3.977 -2.296 3.410) 5.720======================= Grid point 433 (145/288) =======================q-point: ( 0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.655 ( 11.924 6.884 8.012) 15.930 0.886 ( 14.258 8.232 2.698) 16.683 1.119 ( 6.843 3.951 -2.459) 8.275 1.168 ( 15.046 8.687 -1.137) 17.411 1.316 ( 11.543 6.664 -4.175) 13.967 1.485 ( -1.176 -0.679 0.777) 1.565 1.565 ( 6.149 3.550 4.172) 8.236 1.686 ( 8.144 4.702 -2.007) 9.615 2.475 ( -3.668 -2.118 -2.112) 4.733 2.707 ( 9.928 5.732 7.979) 13.967 3.371 ( -0.504 -0.291 -3.869) 3.912 3.526 ( 0.057 0.033 0.086) 0.108 3.834 ( 7.917 4.571 -8.321) 12.362 3.896 ( -6.148 -3.550 -0.072) 7.100 3.966 ( -3.061 -1.767 2.351) 4.245 4.076 ( -4.076 -2.353 -0.050) 4.707 4.172 ( -0.388 -0.224 -0.425) 0.618 4.410 ( -5.180 -2.990 3.401) 6.880 4.562 ( -1.137 -0.656 -5.791) 5.938 4.874 ( -5.839 -3.371 0.784) 6.788 5.077 ( -6.202 -3.581 2.309) 7.525======================= Grid point 434 (146/288) =======================q-point: ( 0.36 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.916 ( 9.782 5.648 4.205) 12.053 1.156 ( 8.850 5.110 0.672) 10.242 1.281 ( 7.478 4.317 -1.130) 8.708 1.339 ( 4.652 2.686 -2.586) 5.962 1.454 ( -1.464 -0.845 0.767) 1.857 1.579 ( 8.441 4.873 -1.470) 9.857 1.706 ( 4.711 2.720 0.794) 5.498 1.962 ( 14.029 8.100 3.056) 16.486 2.413 ( -0.189 -0.109 -3.219) 3.227 2.958 ( 10.345 5.973 4.947) 12.929 3.346 ( -1.866 -1.077 -1.408) 2.574 3.463 ( -5.160 -2.979 -0.094) 5.959 3.746 ( -5.998 -3.463 -0.153) 6.927 3.859 ( -5.848 -3.377 1.358) 6.888 3.910 ( -1.408 -0.813 2.049) 2.616 3.981 ( -3.948 -2.279 -0.449) 4.580 4.150 ( -2.489 -1.437 -0.879) 3.005 4.319 ( -2.329 -1.345 5.861) 6.449 4.502 ( -3.289 -1.899 -5.292) 6.513 4.745 ( -4.825 -2.786 0.781) 5.626 4.938 ( -5.845 -3.375 1.160) 6.848======================= Grid point 435 (147/288) =======================q-point: ( 0.43 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.117 ( 7.534 4.350 0.446) 8.711 1.286 ( 2.387 1.378 -0.732) 2.852 1.408 ( 1.573 0.908 0.933) 2.042 1.431 ( 3.031 1.750 2.273) 4.173 1.472 ( 5.237 3.024 -0.025) 6.048 1.652 ( -1.040 -0.600 -1.198) 1.696 1.795 ( 3.484 2.012 -0.094) 4.025 2.219 ( 7.280 4.203 -0.641) 8.431 2.497 ( 7.186 4.149 -0.185) 8.300 3.144 ( 2.204 1.273 0.428) 2.581 3.263 ( -2.942 -1.699 1.241) 3.617 3.310 ( -7.729 -4.462 -0.548) 8.942 3.672 ( -0.196 -0.113 1.268) 1.289 3.682 ( -9.258 -5.345 1.992) 10.874 3.838 ( -4.711 -2.720 2.089) 5.828 3.913 ( -1.493 -0.862 -0.985) 1.986 4.071 ( -3.391 -1.958 -0.113) 3.917 4.294 ( -1.561 -0.901 4.803) 5.130 4.393 ( -5.287 -3.052 -2.620) 6.643 4.686 ( -0.617 -0.356 0.206) 0.742 4.826 ( -4.134 -2.387 0.305) 4.783======================= Grid point 436 (148/288) =======================q-point: ( 0.50 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.251 ( 3.232 1.866 -2.233) 4.349 1.277 ( -1.934 -1.117 -0.073) 2.234 1.442 ( -1.880 -1.085 4.653) 5.134 1.450 ( 2.148 1.240 0.100) 2.482 1.595 ( 4.548 2.626 0.155) 5.254 1.635 ( 1.142 0.659 -0.972) 1.638 1.861 ( 2.381 1.375 -0.720) 2.842 2.315 ( 2.016 1.164 -1.992) 3.064 2.643 ( 3.921 2.264 1.740) 4.851 2.999 ( -9.341 -5.393 1.355) 10.870 3.129 ( -7.667 -4.426 -0.736) 8.883 3.300 ( 1.777 1.026 -2.386) 3.146 3.481 ( -7.854 -4.534 1.460) 9.186 3.714 ( 2.639 1.524 3.483) 4.628 3.727 ( -4.886 -2.821 1.721) 5.899 3.918 ( 1.852 1.069 -1.196) 2.451 4.008 ( -2.163 -1.249 -0.177) 2.504 4.263 ( -2.829 -1.633 2.889) 4.361 4.296 ( -0.954 -0.551 -1.332) 1.729 4.686 ( 0.012 0.007 0.480) 0.480 4.746 ( -2.978 -1.719 -0.217) 3.445======================= Grid point 437 (149/288) =======================q-point: ( 0.57 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.210 ( -4.322 -2.495 -0.005) 4.991 1.232 ( -1.739 -1.004 0.611) 2.099 1.476 ( 3.327 1.921 0.347) 3.858 1.491 ( 1.360 0.785 -0.808) 1.766 1.665 ( 0.763 0.440 0.440) 0.984 1.673 ( 2.285 1.319 0.446) 2.676 1.905 ( 1.628 0.940 -1.063) 2.159 2.324 ( -0.435 -0.251 -1.312) 1.405 2.675 ( -0.660 -0.381 1.642) 1.810 2.815 ( -6.305 -3.640 2.545) 7.712 2.975 ( -5.309 -3.065 -0.770) 6.179 3.308 ( -0.028 -0.016 -4.511) 4.511 3.353 ( -3.414 -1.971 0.772) 4.017 3.636 ( -3.086 -1.781 1.520) 3.874 3.777 ( 1.837 1.061 3.896) 4.436 3.967 ( 2.104 1.215 -1.078) 2.658 3.970 ( -1.147 -0.662 0.037) 1.325 4.210 ( -1.439 -0.831 0.369) 1.702 4.319 ( 1.826 1.054 -0.173) 2.116 4.678 ( -0.704 -0.406 0.751) 1.107 4.688 ( -1.955 -1.129 -0.796) 2.394======================= Grid point 438 (150/288) =======================q-point: (-0.36 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.149 ( -0.263 -0.152 0.760) 0.819 1.211 ( -0.041 -0.024 0.936) 0.937 1.504 ( -0.045 -0.026 -1.365) 1.366 1.526 ( 0.508 0.293 -0.951) 1.118 1.666 ( -0.586 -0.338 0.347) 0.761 1.701 ( 0.037 0.021 0.700) 0.701 1.926 ( 0.211 0.122 -0.783) 0.820 2.318 ( 0.480 0.277 -0.764) 0.944 2.656 ( -0.623 -0.360 1.003) 1.234 2.744 ( -0.081 -0.047 3.249) 3.250 2.908 ( 0.053 0.030 -0.943) 0.945 3.302 ( 0.533 0.308 -5.100) 5.137 3.320 ( 0.120 0.069 0.657) 0.671 3.603 ( 0.043 0.025 1.673) 1.674 3.797 ( -0.779 -0.450 3.382) 3.500 3.956 ( -0.138 -0.079 0.324) 0.361 3.993 ( 0.153 0.088 -0.903) 0.921 4.187 ( -0.764 -0.441 -0.959) 1.304 4.345 ( -0.013 -0.008 -0.374) 0.374 4.655 ( -0.604 -0.348 -0.456) 0.833 4.675 ( 0.579 0.334 0.173) 0.691======================= Grid point 439 (151/288) =======================q-point: (-0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.199 ( 3.909 2.257 -0.500) 4.541 1.233 ( 1.651 0.953 0.700) 2.031 1.483 ( -4.087 -2.360 0.466) 4.742 1.485 ( -1.334 -0.770 -1.168) 1.933 1.651 ( -0.500 -0.289 -0.414) 0.710 1.676 ( -2.337 -1.349 0.618) 2.768 1.911 ( -1.350 -0.779 -0.586) 1.665 2.344 ( 1.534 0.886 -0.154) 1.778 2.651 ( -0.465 -0.269 0.175) 0.565 2.822 ( 6.039 3.487 3.042) 7.608 2.978 ( 5.796 3.346 -0.588) 6.718 3.316 ( 1.305 0.753 -4.237) 4.497 3.364 ( 3.928 2.268 1.519) 4.783 3.639 ( 2.598 1.500 1.592) 3.397 3.751 ( -3.633 -2.097 2.292) 4.780 3.963 ( 0.647 0.374 -0.017) 0.748 3.972 ( -1.677 -0.968 -0.615) 2.032 4.171 ( -0.114 -0.066 -2.462) 2.466 4.319 ( -1.547 -0.893 -0.073) 1.788 4.655 ( 0.507 0.293 -0.826) 1.012 4.709 ( 2.142 1.237 0.630) 2.553======================= Grid point 440 (152/288) =======================q-point: (-0.21 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.270 ( 0.347 0.200 -1.648) 1.696 1.280 ( 2.123 1.225 0.083) 2.452 1.370 ( -4.363 -2.519 0.264) 5.045 1.443 ( -2.281 -1.317 -0.381) 2.661 1.596 ( -4.693 -2.710 0.249) 5.425 1.653 ( 1.021 0.590 0.406) 1.247 1.866 ( -2.538 -1.465 -0.405) 2.959 2.363 ( -0.583 -0.336 0.998) 1.204 2.596 ( -4.952 -2.859 -1.220) 5.847 3.006 ( 8.984 5.187 1.841) 10.536 3.144 ( 8.264 4.771 0.153) 9.543 3.325 ( -1.034 -0.597 -1.017) 1.568 3.518 ( 9.079 5.242 3.999) 11.221 3.658 ( -3.832 -2.212 -0.162) 4.428 3.712 ( 3.336 1.926 0.340) 3.867 3.930 ( -1.442 -0.832 -0.151) 1.672 3.982 ( 1.121 0.647 -1.350) 1.870 4.180 ( 1.173 0.677 -3.339) 3.603 4.314 ( 1.929 1.114 0.605) 2.308 4.671 ( 1.027 0.593 -0.417) 1.257 4.763 ( 2.324 1.342 0.785) 2.796======================= Grid point 441 (153/288) =======================q-point: (-0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.147 ( -8.866 -5.119 3.414) 10.791 1.305 ( -1.323 -0.764 0.454) 1.593 1.338 ( -0.196 -0.113 -5.012) 5.017 1.381 ( -2.840 -1.640 -0.742) 3.362 1.475 ( -5.008 -2.891 0.186) 5.786 1.684 ( 0.214 0.124 0.839) 0.875 1.791 ( -3.841 -2.218 -0.446) 4.458 2.269 ( -10.063 -5.810 3.459) 12.124 2.457 ( -4.118 -2.378 -3.498) 5.903 3.166 ( -2.227 -1.286 2.085) 3.310 3.249 ( 0.515 0.297 0.192) 0.624 3.334 ( 7.907 4.565 0.855) 9.171 3.634 ( 2.414 1.394 -1.342) 3.094 3.751 ( 7.453 4.303 4.280) 9.611 3.794 ( 5.618 3.243 0.601) 6.514 3.925 ( 1.245 0.719 -0.105) 1.441 4.020 ( 3.081 1.779 -3.007) 4.658 4.198 ( 0.589 0.340 -2.462) 2.554 4.416 ( 6.301 3.638 0.209) 7.279 4.709 ( 2.480 1.432 1.800) 3.382 4.818 ( 2.653 1.532 -0.259) 3.074======================= Grid point 446 (154/288) =======================q-point: ( 0.21 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.403 ( -0.000 12.714 14.298) 19.133 0.525 ( 0.000 19.252 6.484) 20.315 0.682 ( 0.000 26.791 5.969) 27.448 1.005 ( 0.000 5.579 -2.415) 6.080 1.064 ( 0.000 11.541 -3.790) 12.148 1.491 ( 0.000 0.545 -2.261) 2.325 1.491 ( -0.000 -1.019 0.318) 1.067 1.562 ( 0.000 4.117 -2.519) 4.827 2.522 ( -0.000 6.908 10.139) 12.269 2.554 ( -0.000 -3.055 -0.933) 3.194 3.389 ( 0.000 -0.480 -5.264) 5.286 3.395 ( 0.000 20.373 -21.652) 29.730 3.500 ( 0.000 16.604 -15.601) 22.784 3.987 ( -0.000 -4.155 -0.429) 4.177 4.031 ( -0.000 -0.867 1.338) 1.595 4.166 ( -0.000 -2.776 0.473) 2.816 4.171 ( -0.000 -1.382 0.119) 1.387 4.470 ( 0.000 2.416 -4.626) 5.219 4.609 ( -0.000 0.478 1.963) 2.020 4.986 ( -0.000 -3.841 0.534) 3.878 5.195 ( -0.000 -5.096 2.995) 5.911======================= Grid point 447 (155/288) =======================q-point: ( 0.29 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.615 ( 5.899 12.939 11.298) 18.162 0.815 ( 9.032 16.062 3.749) 18.805 1.039 ( 10.388 15.711 -0.386) 18.838 1.093 ( 3.787 8.697 -2.502) 9.810 1.239 ( 6.267 11.119 -3.855) 13.333 1.485 ( 0.396 -1.074 0.605) 1.295 1.536 ( 3.019 5.061 2.431) 6.375 1.630 ( 3.520 5.535 -3.215) 7.305 2.494 ( -2.316 -3.821 -2.004) 4.897 2.666 ( 5.013 9.153 9.483) 14.101 3.361 ( -0.556 -0.755 -4.870) 4.959 3.526 ( 2.004 3.092 -0.224) 3.692 3.718 ( 8.873 9.637 -13.141) 18.555 3.925 ( -1.951 -5.353 -0.655) 5.735 4.000 ( -2.300 -1.353 1.995) 3.332 4.104 ( -2.734 -3.650 0.679) 4.611 4.167 ( 0.419 -1.076 -0.726) 1.363 4.435 ( -2.373 -5.025 1.088) 5.663 4.597 ( -2.525 1.575 -2.887) 4.146 4.914 ( -3.350 -4.906 1.045) 6.031 5.110 ( -3.207 -6.864 1.914) 7.815======================= Grid point 448 (156/288) =======================q-point: ( 0.36 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.862 ( 6.697 10.355 7.562) 14.466 1.103 ( 7.192 11.348 1.571) 13.526 1.221 ( 6.162 6.106 -2.072) 8.919 1.285 ( 4.838 5.652 -4.313) 8.600 1.464 ( 2.870 2.453 -1.141) 3.944 1.494 ( 5.392 6.195 0.017) 8.213 1.664 ( 3.888 4.377 1.835) 6.135 1.840 ( 11.339 11.433 1.903) 16.214 2.410 ( -2.015 -3.230 -3.357) 5.076 2.887 ( 7.610 9.231 7.134) 13.929 3.340 ( -0.007 -1.355 -2.995) 3.287 3.525 ( -3.260 -0.752 0.509) 3.384 3.804 ( -4.881 -4.705 -1.063) 6.862 3.872 ( 2.694 -0.302 -0.896) 2.855 3.940 ( -3.096 -1.990 2.773) 4.608 4.012 ( -3.751 -3.776 1.201) 5.456 4.164 ( -0.326 -0.348 -1.537) 1.610 4.329 ( -2.022 -6.101 2.904) 7.053 4.543 ( -3.813 -0.284 -3.892) 5.456 4.791 ( -4.940 -5.139 1.776) 7.346 4.974 ( -4.272 -7.127 0.728) 8.341======================= Grid point 449 (157/288) =======================q-point: ( 0.43 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.064 ( 5.512 7.564 3.218) 9.897 1.278 ( 3.331 6.162 -0.114) 7.005 1.382 ( 4.926 4.065 0.109) 6.387 1.411 ( 4.142 7.239 -0.917) 8.390 1.459 ( -0.456 1.260 0.304) 1.374 1.642 ( 2.505 1.518 -0.578) 2.986 1.756 ( 3.087 2.094 -0.082) 3.731 2.139 ( 8.627 8.233 1.763) 12.055 2.402 ( 5.334 0.315 -2.747) 6.008 3.104 ( 6.172 6.870 3.337) 9.820 3.299 ( -3.052 -2.673 -0.105) 4.058 3.425 ( -6.781 -1.122 0.015) 6.873 3.679 ( -3.375 -3.193 0.038) 4.646 3.794 ( -7.284 -3.872 2.608) 8.652 3.885 ( -2.141 -2.924 0.798) 3.711 3.912 ( -3.188 -3.991 0.733) 5.160 4.106 ( -3.027 -2.863 -0.452) 4.190 4.296 ( 0.519 -2.742 3.842) 4.749 4.448 ( -5.024 -2.213 -3.492) 6.506 4.680 ( -1.943 -4.087 1.592) 4.797 4.844 ( -3.078 -6.237 -0.016) 6.955======================= Grid point 450 (158/288) =======================q-point: ( 0.50 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.214 ( 3.991 5.203 -0.535) 6.579 1.331 ( -1.922 3.165 0.492) 3.736 1.465 ( 0.628 4.463 1.453) 4.735 1.480 ( -0.034 2.615 1.804) 3.177 1.562 ( 3.928 5.403 -0.247) 6.684 1.621 ( -1.344 -1.724 -1.077) 2.437 1.824 ( 3.095 0.982 -0.400) 3.272 2.278 ( 3.235 2.182 -1.577) 4.208 2.557 ( 8.236 1.632 0.705) 8.426 3.121 ( -7.996 -2.029 0.555) 8.268 3.252 ( -6.834 0.210 0.163) 6.839 3.296 ( -1.502 2.089 -0.324) 2.593 3.597 ( -8.541 -3.704 2.559) 9.655 3.669 ( 1.648 -1.310 2.296) 3.115 3.796 ( -4.832 -2.233 1.649) 5.573 3.861 ( 1.981 -3.658 -2.064) 4.644 4.043 ( -2.052 -0.859 0.039) 2.225 4.269 ( -0.311 -3.055 3.181) 4.421 4.323 ( -5.098 -3.172 -1.935) 6.309 4.653 ( 1.700 -3.233 0.800) 3.739 4.747 ( -1.538 -5.482 -0.216) 5.698======================= Grid point 451 (159/288) =======================q-point: ( 0.57 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.246 ( -3.077 -0.151 -0.838) 3.193 1.341 ( -3.521 6.074 -0.424) 7.033 1.452 ( -0.973 0.815 2.180) 2.523 1.518 ( -0.438 5.112 0.240) 5.137 1.633 ( 2.912 -0.475 -0.211) 2.957 1.664 ( 1.933 3.827 0.329) 4.300 1.877 ( 2.327 0.659 -0.988) 2.612 2.316 ( 0.668 -0.101 -1.181) 1.361 2.655 ( 2.658 -1.102 1.109) 3.084 2.952 ( -9.583 0.389 1.889) 9.775 3.082 ( -9.369 -0.106 -0.347) 9.376 3.314 ( -0.883 1.316 -2.824) 3.238 3.437 ( -6.891 -0.367 0.941) 6.965 3.673 ( -2.290 -2.807 2.011) 4.144 3.746 ( 1.824 -0.327 3.616) 4.064 3.884 ( 4.223 -2.896 -2.667) 5.773 4.013 ( -1.664 0.771 0.538) 1.912 4.223 ( -2.384 -2.676 0.293) 3.596 4.267 ( 2.717 -2.701 0.105) 3.833 4.650 ( 1.561 -3.760 0.437) 4.094 4.678 ( -0.534 -4.967 -0.300) 5.005======================= Grid point 452 (160/288) =======================q-point: ( 0.64 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.180 ( -2.887 0.125 0.500) 2.933 1.312 ( -5.930 7.816 0.596) 9.829 1.495 ( 2.505 0.524 -0.775) 2.674 1.544 ( -1.799 3.957 -0.789) 4.418 1.658 ( 0.788 -1.131 0.507) 1.469 1.714 ( 0.132 2.378 0.676) 2.476 1.912 ( 1.341 0.253 -0.986) 1.684 2.312 ( -0.212 -0.091 -0.643) 0.683 2.658 ( -0.118 -1.340 0.729) 1.530 2.839 ( -6.520 4.719 3.160) 8.647 2.960 ( -5.140 1.966 -0.667) 5.543 3.297 ( -0.927 0.726 -3.312) 3.515 3.364 ( -3.219 2.405 -1.008) 4.143 3.618 ( -1.548 -0.677 1.759) 2.439 3.780 ( 1.802 -2.350 3.920) 4.913 3.921 ( 3.245 -1.981 -2.091) 4.339 3.997 ( -0.984 -0.003 0.962) 1.376 4.179 ( -0.186 -2.269 -0.723) 2.389 4.297 ( 3.358 -3.250 -0.174) 4.676 4.632 ( 0.611 -4.189 -0.318) 4.245 4.638 ( 1.742 -3.642 0.068) 4.037======================= Grid point 453 (161/288) =======================q-point: (-0.29 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.179 ( 0.941 2.736 0.576) 2.950 1.313 ( -3.936 9.119 0.650) 9.954 1.505 ( -0.943 -1.855 -0.589) 2.163 1.534 ( -2.907 3.148 -1.283) 4.473 1.646 ( -0.279 -1.700 0.217) 1.737 1.716 ( -2.116 1.081 0.706) 2.479 1.917 ( -0.436 -0.675 -0.715) 1.076 2.319 ( 1.108 0.214 -0.419) 1.204 2.648 ( 0.083 -0.727 0.298) 0.790 2.845 ( -0.879 8.123 3.513) 8.893 2.961 ( 1.060 5.631 -0.598) 5.761 3.297 ( 0.608 1.324 -3.688) 3.965 3.365 ( 0.100 3.859 -0.664) 3.917 3.621 ( 1.252 0.829 1.770) 2.321 3.766 ( -0.700 -3.654 3.165) 4.885 3.947 ( 1.779 -0.740 -1.643) 2.532 3.975 ( -0.955 -1.722 1.279) 2.348 4.157 ( 0.259 -2.004 -1.883) 2.762 4.298 ( 1.207 -4.335 -0.125) 4.502 4.616 ( 1.952 -3.330 -0.549) 3.899 4.652 ( 3.593 -2.651 0.228) 4.471======================= Grid point 454 (162/288) =======================q-point: (-0.21 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.240 ( 1.774 3.050 -0.702) 3.598 1.350 ( -2.725 7.846 -0.256) 8.310 1.431 ( -4.366 -2.170 1.170) 5.014 1.504 ( -3.786 2.734 -0.560) 4.704 1.630 ( 0.847 -1.535 -0.183) 1.763 1.664 ( -4.555 -0.066 0.294) 4.565 1.885 ( -1.706 -1.547 -0.543) 2.367 2.343 ( 1.602 -0.709 -0.251) 1.770 2.626 ( -1.975 -2.492 0.013) 3.180 2.967 ( 3.978 8.689 2.648) 9.916 3.091 ( 5.324 8.353 -0.023) 9.905 3.321 ( 0.924 1.142 -3.138) 3.464 3.456 ( 5.212 5.809 1.999) 8.056 3.657 ( 0.851 -2.351 1.581) 2.958 3.712 ( -1.119 -0.402 1.319) 1.776 3.931 ( -0.754 -2.750 -0.575) 2.909 3.968 ( 0.647 -0.019 -0.036) 0.648 4.149 ( 1.425 -1.273 -2.846) 3.428 4.282 ( 1.848 -1.998 0.541) 2.775 4.626 ( 2.721 -2.812 -0.457) 3.939 4.700 ( 4.470 -2.329 0.491) 5.064======================= Grid point 455 (163/288) =======================q-point: (-0.14 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.252 ( -6.059 -1.594 1.893) 6.544 1.298 ( -1.280 -0.075 -1.178) 1.741 1.403 ( -2.987 5.457 -1.714) 6.452 1.454 ( -5.095 2.203 0.449) 5.569 1.560 ( -6.648 -1.054 -0.236) 6.735 1.657 ( 2.594 -0.276 0.483) 2.653 1.828 ( -2.844 -1.975 -0.281) 3.474 2.339 ( -1.695 -1.793 1.057) 2.685 2.505 ( -6.736 -5.622 -1.533) 8.907 3.134 ( 5.652 6.253 1.113) 8.502 3.266 ( 2.584 4.441 0.697) 5.185 3.312 ( -0.711 1.711 0.101) 1.855 3.600 ( 1.132 -1.730 0.398) 2.106 3.670 ( 9.171 6.597 4.356) 12.108 3.754 ( 2.230 2.083 -0.843) 3.166 3.905 ( 0.707 -1.452 0.288) 1.641 3.977 ( 1.619 -1.051 -2.002) 2.781 4.170 ( 2.218 -0.369 -1.982) 2.998 4.347 ( 5.267 2.397 0.296) 5.794 4.654 ( 3.647 -2.099 0.858) 4.295 4.755 ( 4.448 -2.134 0.076) 4.934======================= Grid point 461 (164/288) =======================q-point: ( 0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.732 ( -0.000 14.748 11.945) 18.979 0.903 ( 0.000 16.697 2.933) 16.953 1.119 ( 0.000 13.127 -4.468) 13.866 1.130 ( 0.000 7.277 -2.338) 7.643 1.313 ( 0.000 14.247 -3.080) 14.576 1.468 ( -0.000 -1.450 0.530) 1.544 1.587 ( -0.000 10.394 4.013) 11.142 1.660 ( 0.000 7.951 -2.703) 8.398 2.468 ( 0.000 -4.554 -2.628) 5.258 2.749 ( -0.000 11.895 9.387) 15.153 3.355 ( 0.000 -1.139 -4.836) 4.969 3.532 ( 0.000 2.421 0.325) 2.443 3.717 ( 0.000 8.410 -7.604) 11.338 3.876 ( -0.000 -6.663 -0.420) 6.677 4.011 ( -0.000 -1.560 1.612) 2.244 4.087 ( -0.000 -5.105 0.152) 5.107 4.153 ( 0.000 0.092 -0.320) 0.333 4.394 ( -0.000 -8.370 2.319) 8.685 4.627 ( 0.000 0.008 -3.052) 3.052 4.897 ( -0.000 -4.691 1.073) 4.812 5.061 ( -0.000 -8.806 1.087) 8.873======================= Grid point 462 (165/288) =======================q-point: ( 0.36 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.918 ( 2.590 13.076 10.097) 16.723 1.123 ( 5.663 13.461 2.107) 14.755 1.180 ( 2.342 4.334 -4.976) 7.002 1.267 ( 4.812 6.655 -4.065) 9.164 1.455 ( 1.097 3.083 -0.994) 3.420 1.484 ( 3.230 7.542 -0.074) 8.205 1.680 ( 0.665 5.171 1.210) 5.352 1.838 ( 5.295 17.546 2.333) 18.476 2.401 ( -1.813 -4.094 -3.591) 5.739 2.915 ( 3.131 12.155 7.720) 14.736 3.324 ( -0.547 -1.531 -3.570) 3.923 3.541 ( 0.000 -2.226 0.574) 2.299 3.797 ( -1.016 -6.040 -1.491) 6.303 3.810 ( 3.432 1.104 0.473) 3.636 3.973 ( -2.730 -2.416 1.544) 3.959 4.026 ( -1.272 -4.044 1.634) 4.544 4.160 ( 0.098 0.887 -1.179) 1.479 4.284 ( -1.657 -10.127 2.072) 10.469 4.585 ( -2.460 -2.744 -2.543) 4.478 4.824 ( -3.789 -3.854 1.683) 5.661 4.950 ( -2.356 -9.054 0.010) 9.356======================= Grid point 463 (166/288) =======================q-point: ( 0.43 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.093 ( 2.438 10.025 6.249) 12.062 1.256 ( 4.730 3.645 -2.570) 6.501 1.359 ( 5.346 8.967 1.243) 10.513 1.407 ( 4.977 6.563 -1.904) 8.453 1.474 ( 0.590 1.096 0.209) 1.263 1.616 ( 2.784 4.100 -0.140) 4.958 1.740 ( 1.489 3.125 -0.313) 3.476 2.119 ( 6.737 14.560 2.748) 16.277 2.336 ( 0.046 -2.407 -4.081) 4.738 3.104 ( 4.203 9.891 4.971) 11.840 3.301 ( 0.024 -1.915 -1.660) 2.535 3.487 ( -2.809 -3.286 1.187) 4.483 3.705 ( -2.477 -4.620 -2.114) 5.652 3.824 ( -0.906 -4.149 2.148) 4.759 3.880 ( -3.692 -4.292 -0.043) 5.662 3.963 ( -4.120 -2.498 3.888) 6.191 4.105 ( -2.202 -6.698 -0.228) 7.054 4.238 ( 2.903 -2.350 1.634) 4.077 4.494 ( -3.480 -3.807 -2.643) 5.796 4.705 ( -5.526 -3.964 2.785) 7.349 4.818 ( -2.709 -8.045 -1.026) 8.550======================= Grid point 464 (167/288) =======================q-point: ( 0.50 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.226 ( 2.192 7.490 2.257) 8.124 1.367 ( 3.016 2.862 0.977) 4.271 1.468 ( 1.274 2.813 -1.070) 3.268 1.509 ( 2.192 4.940 0.718) 5.452 1.569 ( 3.218 7.489 0.117) 8.152 1.645 ( -1.246 -0.147 0.190) 1.269 1.786 ( 1.840 1.165 -0.648) 2.272 2.272 ( 0.402 4.490 -1.275) 4.685 2.423 ( 9.000 2.899 -0.164) 9.457 3.218 ( -3.069 1.956 0.601) 3.688 3.286 ( 1.461 2.734 1.448) 3.421 3.405 ( -4.758 -1.094 0.661) 4.927 3.626 ( -2.084 -2.138 0.828) 3.098 3.719 ( -5.606 -5.193 1.825) 7.856 3.791 ( -0.575 -4.446 -2.370) 5.071 3.850 ( -4.675 -3.722 1.848) 6.255 4.037 ( 0.137 -3.929 0.710) 3.995 4.246 ( 0.061 -3.318 2.797) 4.340 4.382 ( -5.043 -3.449 -2.444) 6.580 4.601 ( -1.435 -4.545 2.353) 5.315 4.703 ( -1.535 -7.444 -1.057) 7.674======================= Grid point 465 (168/288) =======================q-point: ( 0.57 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.304 ( -1.692 3.757 -0.907) 4.219 1.395 ( -0.115 2.033 2.366) 3.122 1.532 ( 3.616 0.710 -0.006) 3.685 1.574 ( -4.814 3.044 -0.476) 5.716 1.598 ( 0.872 5.560 0.675) 5.668 1.686 ( 1.107 5.589 0.207) 5.701 1.836 ( 2.921 0.672 -0.685) 3.075 2.310 ( 0.645 2.144 -1.059) 2.477 2.573 ( 5.866 0.203 0.311) 5.878 3.117 ( -7.808 1.507 0.904) 8.004 3.276 ( -10.435 2.179 0.100) 10.661 3.343 ( -0.192 2.453 -0.567) 2.525 3.552 ( -6.112 -1.765 1.558) 6.550 3.633 ( 1.783 -3.602 3.478) 5.315 3.756 ( -2.294 -3.010 1.255) 3.987 3.776 ( 3.043 -2.437 -4.016) 5.597 4.022 ( 0.893 -1.808 0.464) 2.069 4.202 ( -0.204 -4.534 1.908) 4.923 4.254 ( -4.935 -3.379 -1.008) 6.065 4.567 ( 2.057 -5.559 1.089) 6.027 4.615 ( 0.052 -7.350 -0.700) 7.384======================= Grid point 466 (169/288) =======================q-point: ( 0.64 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.247 ( -4.485 0.477 -0.221) 4.516 1.448 ( 2.009 2.130 0.144) 2.932 1.526 ( -6.171 7.879 0.046) 10.008 1.586 ( 2.214 -0.849 -0.150) 2.376 1.655 ( -1.009 4.624 1.050) 4.848 1.741 ( 0.202 3.587 0.144) 3.596 1.886 ( 2.039 0.744 -0.911) 2.354 2.330 ( -0.733 2.517 -0.340) 2.644 2.632 ( 1.913 -0.852 -0.010) 2.094 3.023 ( -7.031 5.815 1.778) 9.296 3.122 ( -10.186 3.948 0.285) 10.928 3.334 ( -2.246 1.668 -1.849) 3.353 3.460 ( -4.808 2.167 -0.436) 5.291 3.626 ( 0.208 -2.972 2.505) 3.892 3.724 ( 1.260 -2.944 2.825) 4.270 3.821 ( 4.816 -1.816 -3.694) 6.335 4.013 ( -0.754 -1.350 1.092) 1.893 4.159 ( -1.438 -3.698 -1.670) 4.305 4.183 ( 3.526 -5.916 1.575) 7.065 4.550 ( 2.551 -6.240 0.554) 6.764 4.557 ( 1.408 -6.703 -0.692) 6.884======================= Grid point 467 (170/288) =======================q-point: (-0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.210 ( -1.099 2.551 0.381) 2.803 1.481 ( -0.007 0.845 -0.937) 1.262 1.515 ( -5.045 8.851 0.554) 10.203 1.591 ( -0.166 -1.312 -0.906) 1.603 1.661 ( -2.563 3.163 0.908) 4.171 1.764 ( -1.220 2.286 0.553) 2.649 1.912 ( 0.515 0.054 -0.629) 0.814 2.335 ( -1.661 2.862 -0.147) 3.312 2.640 ( 0.110 -0.375 -0.369) 0.537 3.002 ( -5.707 9.849 2.895) 11.745 3.044 ( -3.421 6.531 -0.078) 7.373 3.315 ( -1.342 2.113 -2.420) 3.481 3.425 ( -2.581 4.034 -1.372) 4.981 3.612 ( 0.469 -1.257 1.915) 2.338 3.723 ( 1.446 -3.691 2.854) 4.884 3.876 ( 4.116 -1.669 -3.386) 5.585 3.978 ( -1.092 -2.404 2.545) 3.667 4.116 ( 0.712 -3.696 -1.858) 4.198 4.194 ( 4.175 -6.666 0.575) 7.886 4.528 ( 2.649 -5.840 -0.362) 6.423 4.545 ( 3.899 -5.566 -0.026) 6.795======================= Grid point 468 (171/288) =======================q-point: (-0.21 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.256 ( 1.383 4.704 0.213) 4.908 1.454 ( -2.584 -1.822 -0.013) 3.162 1.523 ( -4.455 8.471 0.002) 9.571 1.562 ( -0.654 -1.457 -0.878) 1.822 1.645 ( -3.194 3.536 0.994) 4.868 1.742 ( -3.470 1.237 0.144) 3.687 1.898 ( -1.457 -1.034 -0.573) 1.877 2.333 ( -1.029 1.521 -0.305) 1.861 2.627 ( -0.875 -1.495 -0.155) 1.739 3.036 ( -1.048 8.891 2.142) 9.205 3.131 ( 1.677 11.341 0.717) 11.487 3.319 ( -0.017 1.651 -2.906) 3.342 3.456 ( 1.422 5.136 0.303) 5.338 3.615 ( 1.200 -3.409 1.948) 4.105 3.711 ( 0.299 -1.465 1.337) 2.006 3.896 ( 1.106 -3.032 -3.218) 4.558 3.958 ( 0.427 -1.049 2.942) 3.152 4.092 ( 1.678 -4.256 -2.230) 5.090 4.209 ( 3.893 -3.041 0.740) 4.995 4.529 ( 3.684 -4.920 -0.232) 6.151 4.575 ( 5.551 -4.952 0.008) 7.439======================= Grid point 469 (172/288) =======================q-point: (-0.14 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.315 ( -0.665 4.590 -0.622) 4.680 1.361 ( -5.685 -2.510 1.947) 6.512 1.505 ( -2.620 1.642 -1.125) 3.291 1.562 ( -1.927 3.380 -0.146) 3.893 1.630 ( -2.273 3.115 0.989) 3.981 1.670 ( -5.679 0.423 -0.365) 5.707 1.849 ( -2.055 -1.739 -0.360) 2.716 2.332 ( 0.110 0.187 -0.666) 0.701 2.557 ( -4.797 -4.074 0.019) 6.294 3.137 ( 2.318 7.545 1.465) 8.028 3.289 ( 3.108 9.717 0.415) 10.211 3.325 ( -0.338 -0.211 -1.489) 1.541 3.568 ( 1.942 0.218 3.265) 3.805 3.591 ( 4.695 0.511 0.732) 4.779 3.734 ( 2.340 1.258 -0.374) 2.683 3.871 ( 0.722 -2.622 -1.680) 3.196 3.945 ( -0.355 -2.954 0.815) 3.084 4.110 ( 3.826 -0.804 -0.661) 3.965 4.282 ( 5.026 1.858 0.250) 5.364 4.555 ( 4.343 -3.917 0.583) 5.877 4.630 ( 6.118 -4.291 -0.205) 7.476======================= Grid point 476 (173/288) =======================q-point: ( 0.36 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.046 ( -0.000 12.481 10.228) 16.136 1.194 ( 0.000 11.381 1.509) 11.481 1.208 ( 0.000 2.281 -7.609) 7.943 1.255 ( 0.000 6.108 -2.005) 6.429 1.445 ( -0.000 -0.741 0.791) 1.084 1.562 ( 0.000 10.448 -1.575) 10.566 1.722 ( 0.000 3.770 0.254) 3.779 1.998 ( 0.000 20.377 3.738) 20.717 2.375 ( 0.000 -2.853 -4.060) 4.962 3.030 ( -0.000 12.717 6.312) 14.197 3.305 ( 0.000 -2.617 -2.754) 3.799 3.494 ( -0.000 -5.816 -0.147) 5.818 3.734 ( -0.000 -7.035 -0.237) 7.038 3.800 ( -0.000 1.089 2.834) 3.036 3.982 ( -0.000 -4.940 -0.393) 4.956 3.983 ( -0.000 -2.250 1.835) 2.904 4.166 ( -0.000 -4.494 -0.592) 4.533 4.201 ( -0.000 -6.080 2.689) 6.648 4.554 ( -0.000 -6.148 -1.680) 6.373 4.835 ( -0.000 -1.974 0.897) 2.168 4.881 ( -0.000 -8.723 -0.388) 8.732======================= Grid point 477 (174/288) =======================q-point: ( 0.43 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.187 ( 0.907 10.298 8.556) 13.419 1.213 ( 1.504 2.080 -5.086) 5.697 1.346 ( 6.417 4.734 -0.921) 8.028 1.369 ( 4.511 7.729 0.614) 8.971 1.462 ( 1.649 1.404 0.245) 2.180 1.640 ( -0.067 4.438 -1.009) 4.552 1.758 ( 0.358 3.199 0.057) 3.220 2.207 ( 1.943 15.435 2.159) 15.706 2.338 ( -1.863 0.776 -3.240) 3.817 3.166 ( 1.559 9.405 3.428) 10.131 3.269 ( -0.092 -3.061 -0.746) 3.152 3.446 ( 1.790 -7.126 -0.268) 7.352 3.666 ( -0.461 -5.269 -0.089) 5.290 3.807 ( -0.351 -2.187 3.028) 3.752 3.899 ( -3.131 -4.792 -0.820) 5.783 3.982 ( 1.358 -2.338 2.567) 3.728 4.040 ( -2.251 -11.301 -0.372) 11.529 4.204 ( 0.321 0.252 2.698) 2.728 4.474 ( -1.223 -6.752 -1.335) 6.990 4.773 ( -4.121 -4.755 3.140) 7.032 4.787 ( -2.677 -4.224 -2.924) 5.793======================= Grid point 478 (175/288) =======================q-point: ( 0.50 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.274 ( 2.382 4.824 -0.453) 5.399 1.319 ( 3.547 4.939 4.225) 7.404 1.460 ( 3.278 0.851 -1.065) 3.550 1.523 ( 2.286 6.868 -0.075) 7.239 1.549 ( 6.267 4.128 0.993) 7.570 1.649 ( 0.225 -0.166 -0.114) 0.302 1.791 ( -0.094 2.358 -0.704) 2.463 2.299 ( 0.760 0.054 -3.012) 3.107 2.392 ( 0.816 11.518 1.716) 11.674 3.242 ( 2.009 -3.849 -0.730) 4.403 3.281 ( 1.304 5.614 1.861) 6.057 3.410 ( 1.277 -4.948 0.841) 5.179 3.623 ( -0.380 -2.281 0.687) 2.413 3.738 ( -3.924 -5.167 0.760) 6.532 3.789 ( -2.938 -4.531 -1.762) 5.681 3.893 ( -4.145 -6.386 -0.157) 7.615 3.986 ( 0.792 -2.415 2.938) 3.885 4.210 ( 0.807 -2.605 3.341) 4.313 4.385 ( -1.492 -5.758 -1.552) 6.148 4.645 ( -5.914 -3.931 2.617) 7.569 4.678 ( -4.202 -4.542 -2.288) 6.598======================= Grid point 479 (176/288) =======================q-point: ( 0.57 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.363 ( 1.556 5.012 0.837) 5.315 1.418 ( 1.730 1.865 2.033) 3.257 1.450 ( -0.531 -2.677 -1.128) 2.953 1.626 ( 2.892 4.372 0.696) 5.288 1.650 ( 1.468 3.400 -0.676) 3.765 1.712 ( 2.926 4.593 0.931) 5.525 1.807 ( 0.704 1.682 -0.988) 2.074 2.322 ( 1.278 2.172 -0.946) 2.692 2.506 ( 2.864 4.601 0.127) 5.421 3.221 ( -1.783 -0.591 -0.229) 1.892 3.338 ( 1.621 -0.005 0.899) 1.854 3.408 ( -0.246 1.139 0.938) 1.496 3.581 ( -2.119 -5.357 0.438) 5.777 3.620 ( -3.558 -1.731 2.650) 4.762 3.715 ( -0.749 -2.955 -4.094) 5.104 3.784 ( -2.890 -2.540 0.057) 3.848 3.973 ( 0.437 -2.506 1.699) 3.059 4.180 ( -0.882 -4.742 3.098) 5.732 4.295 ( -3.268 -4.537 -1.518) 5.794 4.523 ( -3.532 -3.979 1.696) 5.584 4.560 ( -2.755 -6.091 -1.352) 6.821======================= Grid point 480 (177/288) =======================q-point: ( 0.64 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.334 ( -5.279 -0.711 -0.687) 5.370 1.433 ( 1.646 1.783 0.908) 2.591 1.505 ( 4.101 -1.335 0.448) 4.336 1.681 ( -2.548 6.046 -0.644) 6.593 1.708 ( 1.268 3.822 1.085) 4.171 1.777 ( 0.169 3.270 0.266) 3.285 1.856 ( 2.420 1.795 -0.820) 3.123 2.376 ( 0.575 4.961 -0.216) 4.999 2.585 ( 3.060 1.314 -0.280) 3.342 3.181 ( -4.515 4.274 0.868) 6.277 3.330 ( -5.848 2.922 -0.304) 6.544 3.385 ( -3.014 2.069 0.167) 3.660 3.513 ( 0.745 -3.666 -0.167) 3.745 3.577 ( -0.711 -1.823 4.049) 4.497 3.686 ( 0.973 -2.800 -2.187) 3.684 3.752 ( 0.567 -0.085 -1.670) 1.765 3.970 ( 2.405 -3.323 0.227) 4.108 4.101 ( -1.933 -6.473 1.517) 6.923 4.180 ( -4.367 -4.056 -0.105) 5.961 4.456 ( 0.497 -5.477 0.591) 5.531 4.470 ( -0.057 -6.637 -0.635) 6.667======================= Grid point 481 (178/288) =======================q-point: ( 0.71 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.262 ( -2.603 1.052 -0.215) 2.815 1.466 ( 0.775 0.337 0.247) 0.881 1.539 ( 2.091 -2.843 -0.215) 3.535 1.691 ( -3.548 7.134 -0.189) 7.970 1.742 ( -1.642 2.952 0.981) 3.518 1.800 ( -0.431 2.445 -0.052) 2.483 1.900 ( 1.204 0.743 -0.426) 1.478 2.422 ( -2.209 6.537 -0.043) 6.901 2.633 ( 1.136 0.910 -0.502) 1.540 3.171 ( -3.519 7.510 0.924) 8.345 3.233 ( -9.045 7.414 0.989) 11.737 3.368 ( -2.071 2.284 -1.330) 3.358 3.501 ( -1.015 0.824 -0.347) 1.353 3.568 ( 1.143 -2.970 2.667) 4.152 3.680 ( 1.019 -1.611 0.502) 1.972 3.782 ( 3.739 -1.049 -3.184) 5.022 3.965 ( -0.062 -3.746 0.819) 3.835 4.027 ( 2.762 -8.588 -0.129) 9.022 4.092 ( -0.603 -3.816 0.698) 3.925 4.423 ( 2.100 -6.045 -0.143) 6.401 4.427 ( 2.496 -5.883 -0.176) 6.393======================= Grid point 482 (179/288) =======================q-point: (-0.21 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.275 ( 1.302 3.588 -0.091) 3.818 1.464 ( -0.828 -0.893 0.144) 1.227 1.521 ( 0.078 -4.027 -0.260) 4.036 1.694 ( -4.347 6.509 -0.266) 7.831 1.736 ( -2.125 3.304 0.985) 4.050 1.800 ( -1.977 1.076 -0.011) 2.251 1.910 ( -0.489 -0.135 -0.371) 0.628 2.419 ( -4.795 5.074 -0.049) 6.981 2.635 ( -1.120 -0.271 -0.514) 1.261 3.170 ( -4.165 7.028 1.002) 8.231 3.248 ( -1.702 11.797 1.204) 11.980 3.347 ( -2.072 1.031 -1.658) 2.847 3.501 ( -0.790 3.268 0.461) 3.393 3.554 ( 1.083 -4.617 1.580) 4.999 3.687 ( 1.100 -1.202 0.456) 1.692 3.829 ( 3.063 -1.487 -4.307) 5.490 3.934 ( 1.156 -2.529 3.250) 4.277 3.993 ( 2.480 -7.704 -0.940) 8.148 4.105 ( 4.914 -1.819 0.606) 5.274 4.416 ( 3.437 -4.785 -0.180) 5.895 4.433 ( 4.543 -5.142 -0.158) 6.864======================= Grid point 483 (180/288) =======================q-point: (-0.14 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.358 ( 2.439 5.148 -0.316) 5.705 1.423 ( -3.136 -0.741 1.274) 3.465 1.470 ( -0.183 -5.020 -0.497) 5.048 1.667 ( -4.501 3.824 -0.249) 5.912 1.735 ( -2.875 3.603 1.459) 4.834 1.754 ( -3.752 -0.311 -0.646) 3.820 1.874 ( -2.665 -0.912 -0.626) 2.886 2.373 ( -4.008 2.081 -0.179) 4.520 2.592 ( -2.842 -1.556 -0.311) 3.255 3.201 ( -0.939 6.418 1.056) 6.572 3.309 ( -0.535 -0.611 -0.706) 1.076 3.364 ( 0.768 8.831 0.570) 8.882 3.516 ( 1.740 -4.561 0.030) 4.882 3.552 ( 1.764 1.306 2.517) 3.340 3.698 ( 1.882 -0.394 -0.707) 2.049 3.831 ( 0.557 -1.867 -3.698) 4.180 3.925 ( -0.314 -3.156 1.651) 3.576 4.021 ( 5.816 -0.402 1.659) 6.061 4.203 ( 6.213 0.811 0.174) 6.268 4.446 ( 4.194 -2.668 0.199) 4.975 4.479 ( 6.118 -3.662 -0.293) 7.136======================= Grid point 491 (181/288) =======================q-point: ( 0.43 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.206 ( 0.000 1.967 -3.581) 4.086 1.293 ( 0.000 0.804 -1.011) 1.292 1.310 ( -0.000 8.954 7.218) 11.501 1.393 ( 0.000 4.549 1.310) 4.734 1.477 ( 0.000 5.199 -0.076) 5.200 1.665 ( 0.000 -0.014 -1.793) 1.793 1.791 ( 0.000 3.775 0.307) 3.787 2.294 ( 0.000 4.032 -3.288) 5.203 2.420 ( 0.000 12.072 2.467) 12.322 3.185 ( -0.000 -3.460 -0.783) 3.547 3.277 ( -0.000 3.004 1.462) 3.341 3.330 ( -0.000 -9.818 -0.950) 9.864 3.638 ( -0.000 -0.972 1.768) 2.018 3.795 ( -0.000 -2.974 2.812) 4.092 3.855 ( -0.000 -12.724 -0.048) 12.724 3.911 ( 0.000 -1.616 -0.867) 1.834 4.000 ( -0.000 -3.231 0.900) 3.354 4.209 ( -0.000 -0.874 3.622) 3.726 4.415 ( -0.000 -6.429 -0.724) 6.469 4.742 ( -0.000 -4.891 -0.134) 4.893 4.804 ( -0.000 -1.712 -0.177) 1.721======================= Grid point 492 (182/288) =======================q-point: ( 0.50 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.234 ( 2.410 1.330 -1.883) 3.335 1.342 ( 4.141 1.386 0.546) 4.401 1.414 ( 2.022 5.305 4.961) 7.539 1.473 ( 5.243 2.149 0.759) 5.717 1.555 ( 1.581 6.372 -0.108) 6.566 1.637 ( -0.720 -2.288 -1.722) 2.953 1.822 ( -0.411 2.847 -0.191) 2.883 2.302 ( -0.785 1.443 -2.942) 3.369 2.526 ( -1.853 10.246 2.369) 10.678 3.146 ( 2.207 -6.562 -0.406) 6.936 3.267 ( 4.142 -7.940 -0.547) 8.972 3.301 ( 1.291 -1.630 -0.584) 2.160 3.651 ( -1.348 3.770 3.194) 5.122 3.703 ( -0.284 -11.905 -1.781) 12.040 3.776 ( -1.034 -3.909 1.976) 4.501 3.877 ( -2.310 -2.089 -1.980) 3.691 3.989 ( 0.325 0.193 2.090) 2.124 4.194 ( -0.705 -2.388 3.928) 4.651 4.347 ( -1.172 -4.983 -0.687) 5.165 4.677 ( -3.019 -3.291 0.407) 4.485 4.744 ( -4.621 -2.130 -0.624) 5.126======================= Grid point 493 (183/288) =======================q-point: ( 0.57 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.301 ( 4.595 -0.759 -0.602) 4.696 1.420 ( 1.704 1.898 1.089) 2.773 1.499 ( -0.177 3.831 1.769) 4.223 1.562 ( 3.979 -2.041 0.256) 4.479 1.624 ( 5.094 3.608 -1.158) 6.349 1.680 ( 3.944 3.300 0.768) 5.199 1.834 ( -0.795 2.339 -0.625) 2.548 2.308 ( 1.019 1.189 -0.920) 1.816 2.568 ( -2.301 5.665 0.671) 6.151 3.145 ( 4.728 -5.197 -0.998) 7.096 3.283 ( 5.986 -7.329 -0.457) 9.474 3.323 ( 3.279 -1.335 0.990) 3.676 3.589 ( -0.911 -7.254 -1.136) 7.399 3.665 ( -2.709 2.831 4.458) 5.935 3.710 ( -2.492 -2.559 -1.818) 4.008 3.803 ( -2.935 -1.592 -2.782) 4.346 3.995 ( -1.655 1.200 2.274) 3.058 4.155 ( -1.159 -3.757 3.788) 5.460 4.275 ( -1.558 -4.572 -1.069) 4.947 4.576 ( -5.221 -2.838 0.861) 6.005 4.614 ( -7.207 -2.530 -0.914) 7.693======================= Grid point 494 (184/288) =======================q-point: ( 0.64 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.337 ( 1.904 -4.737 -0.965) 5.196 1.443 ( 0.126 1.821 -0.245) 1.842 1.492 ( -2.251 3.018 2.032) 4.279 1.670 ( 6.300 1.177 0.489) 6.428 1.728 ( 2.145 3.300 -1.170) 4.106 1.772 ( 3.259 1.317 1.002) 3.655 1.854 ( 0.466 2.980 -0.645) 3.084 2.372 ( 4.206 2.945 0.110) 5.136 2.584 ( -0.375 3.171 -0.180) 3.198 3.197 ( 5.038 -1.351 -0.954) 5.303 3.321 ( 3.975 -2.238 0.880) 4.645 3.380 ( 5.522 -3.534 0.671) 6.590 3.512 ( -3.740 -0.921 -0.126) 3.854 3.619 ( -2.996 -1.752 1.967) 3.989 3.661 ( -1.885 0.697 -1.991) 2.829 3.754 ( -0.979 -0.505 -1.754) 2.071 3.960 ( -3.375 0.380 1.286) 3.632 4.086 ( -2.637 -5.267 2.757) 6.504 4.193 ( -2.452 -5.267 -1.103) 5.914 4.457 ( -4.985 -2.988 0.687) 5.853 4.468 ( -5.774 -2.937 -0.604) 6.506======================= Grid point 495 (185/288) =======================q-point: ( 0.71 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.298 ( -1.127 -1.840 -0.511) 2.217 1.466 ( 0.204 1.003 0.063) 1.026 1.493 ( 0.339 -0.308 0.688) 0.827 1.757 ( 1.471 1.560 0.177) 2.152 1.771 ( 0.362 2.229 -0.227) 2.270 1.823 ( 1.441 1.993 0.295) 2.477 1.889 ( 0.630 1.203 -0.400) 1.416 2.489 ( 3.315 5.625 0.027) 6.529 2.620 ( 1.164 1.813 -0.135) 2.158 3.268 ( 1.389 3.466 0.075) 3.735 3.371 ( 1.859 1.174 0.450) 2.244 3.435 ( 4.268 -3.093 0.474) 5.292 3.441 ( -5.424 3.498 -0.463) 6.470 3.569 ( -0.856 -0.769 1.053) 1.560 3.651 ( 0.282 -0.031 -0.872) 0.917 3.742 ( 0.196 -0.744 -1.105) 1.347 3.909 ( -1.015 -2.518 0.359) 2.739 3.970 ( -3.798 -6.335 0.706) 7.420 4.092 ( -2.910 -4.494 0.086) 5.354 4.367 ( -1.741 -3.395 -0.036) 3.815 4.370 ( -1.907 -3.152 -0.002) 3.684======================= Grid point 496 (186/288) =======================q-point: (-0.21 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.283 ( 0.263 0.954 -0.281) 1.029 1.469 ( -0.121 -0.153 0.520) 0.555 1.488 ( -0.002 -1.660 -0.197) 1.672 1.775 ( -1.036 0.948 0.210) 1.420 1.781 ( -0.255 1.417 -0.045) 1.440 1.850 ( -1.973 2.581 0.018) 3.249 1.902 ( 1.095 -0.627 -0.153) 1.271 2.555 ( -3.307 5.703 -0.024) 6.592 2.640 ( 0.601 -0.833 -0.215) 1.050 3.295 ( -3.066 5.258 0.332) 6.096 3.389 ( -2.483 -1.373 -0.376) 2.862 3.399 ( -1.201 4.353 -0.520) 4.545 3.476 ( 0.390 3.091 2.838) 4.214 3.575 ( -2.373 -0.001 -0.337) 2.397 3.633 ( 2.757 -3.996 -0.456) 4.876 3.760 ( 2.997 0.540 -2.501) 3.940 3.877 ( 1.152 -5.116 1.381) 5.423 3.893 ( 1.061 -2.647 0.033) 2.852 4.033 ( 0.848 -2.098 0.341) 2.288 4.334 ( 1.381 -2.435 -0.102) 2.801 4.339 ( 1.523 -2.496 -0.056) 2.925======================= Grid point 497 (187/288) =======================q-point: (-0.14 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.319 ( 3.069 -0.172 -0.898) 3.202 1.460 ( -1.105 -1.197 0.533) 1.714 1.467 ( -1.231 1.503 0.748) 2.082 1.751 ( -2.509 0.301 0.199) 2.535 1.779 ( -1.254 -0.946 -0.323) 1.604 1.812 ( -3.188 0.505 0.417) 3.255 1.904 ( -0.862 -0.075 -0.553) 1.027 2.487 ( -6.691 0.126 0.077) 6.693 2.626 ( -1.798 0.172 -0.271) 1.827 3.269 ( -3.357 -1.706 -0.318) 3.779 3.339 ( -2.225 2.596 1.880) 3.902 3.437 ( 0.179 5.165 -0.671) 5.211 3.448 ( -1.155 -7.936 -0.066) 8.020 3.538 ( 0.190 0.438 1.138) 1.234 3.670 ( 1.565 0.229 -0.373) 1.625 3.806 ( 0.762 0.944 -3.952) 4.134 3.895 ( 2.895 0.392 0.612) 2.985 3.923 ( 4.839 -0.105 3.186) 5.795 4.090 ( 6.175 -0.535 0.001) 6.199 4.369 ( 3.734 0.643 -0.110) 3.791 4.370 ( 3.730 -0.430 0.023) 3.755======================= Grid point 506 (188/288) =======================q-point: ( 0.50 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.227 ( 0.000 0.692 -0.754) 1.024 1.278 ( -0.000 -1.443 -0.131) 1.449 1.443 ( 0.000 1.449 0.390) 1.501 1.461 ( -0.000 2.911 4.176) 5.091 1.600 ( 0.000 5.710 -0.074) 5.710 1.627 ( 0.000 -0.293 -1.386) 1.417 1.851 ( 0.000 2.054 -0.288) 2.074 2.320 ( 0.000 0.878 -2.205) 2.373 2.634 ( 0.000 6.447 2.187) 6.808 3.050 ( -0.000 -8.077 -0.403) 8.087 3.128 ( -0.000 -9.738 -0.676) 9.761 3.261 ( -0.000 -3.544 -0.996) 3.682 3.567 ( -0.000 -12.355 -2.141) 12.539 3.729 ( -0.000 6.732 3.015) 7.376 3.748 ( -0.000 -4.050 1.515) 4.325 3.908 ( 0.000 1.204 -1.019) 1.578 3.975 ( -0.000 -0.488 0.480) 0.684 4.187 ( -0.000 -2.060 3.973) 4.476 4.324 ( -0.000 -2.233 -0.420) 2.272 4.682 ( -0.000 -1.844 0.719) 1.980 4.760 ( -0.000 -2.554 -0.800) 2.676======================= Grid point 507 (189/288) =======================q-point: ( 0.57 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.233 ( 1.781 -1.507 0.028) 2.334 1.342 ( 7.441 -0.635 -0.309) 7.474 1.474 ( 0.732 -0.289 0.492) 0.928 1.511 ( 4.723 1.280 1.156) 5.028 1.622 ( -1.524 2.636 0.220) 3.053 1.670 ( 2.020 4.051 -0.053) 4.527 1.864 ( -0.384 1.768 -0.275) 1.830 2.312 ( -0.544 0.114 -0.897) 1.055 2.657 ( -2.469 2.525 1.049) 3.684 3.006 ( 3.900 -6.558 -1.562) 7.788 3.083 ( 5.452 -8.722 -0.446) 10.295 3.253 ( 2.903 -2.857 1.125) 4.226 3.476 ( 2.064 -8.697 -1.488) 9.062 3.705 ( -0.629 -3.784 0.103) 3.837 3.775 ( -2.591 5.753 2.571) 6.813 3.863 ( -4.633 0.737 -2.484) 5.309 4.005 ( 1.844 0.599 0.722) 2.069 4.163 ( -1.587 -1.771 3.793) 4.477 4.287 ( -2.730 -0.782 -0.546) 2.891 4.637 ( -3.548 -1.453 0.964) 3.954 4.693 ( -4.512 -2.620 -0.898) 5.294======================= Grid point 508 (190/288) =======================q-point: ( 0.64 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.250 ( 2.671 -3.177 -0.510) 4.182 1.450 ( 1.415 1.541 -0.109) 2.095 1.528 ( 8.961 -0.790 -0.201) 8.998 1.570 ( -1.499 1.581 1.544) 2.670 1.666 ( 5.233 1.123 -0.155) 5.354 1.743 ( 2.468 2.560 -0.051) 3.556 1.878 ( -0.105 2.038 -0.105) 2.043 2.327 ( 2.556 0.708 0.039) 2.652 2.630 ( -1.976 1.061 0.204) 2.253 3.055 ( 7.437 -2.811 -1.424) 8.077 3.132 ( 8.973 -6.751 -0.909) 11.266 3.295 ( 3.804 -1.656 2.187) 4.690 3.461 ( 3.827 -4.494 -0.355) 5.913 3.656 ( -1.729 -2.047 -0.528) 2.731 3.753 ( -5.962 2.730 1.958) 6.843 3.791 ( -3.112 1.450 -2.953) 4.528 4.021 ( -1.102 0.367 0.007) 1.162 4.110 ( -3.204 -2.109 3.602) 5.262 4.209 ( -4.967 -1.440 -1.002) 5.268 4.540 ( -6.089 -1.347 0.867) 6.296 4.564 ( -7.140 -1.990 -0.698) 7.445======================= Grid point 509 (191/288) =======================q-point: ( 0.71 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.263 ( 2.004 -1.838 -0.320) 2.738 1.469 ( 0.216 0.706 -0.113) 0.747 1.533 ( -3.334 0.538 0.770) 3.464 1.690 ( 7.773 0.721 0.036) 7.806 1.750 ( 3.403 -0.359 -0.462) 3.453 1.799 ( 2.062 1.217 0.088) 2.396 1.898 ( 0.242 1.349 -0.053) 1.371 2.421 ( 6.800 1.445 0.119) 6.953 2.629 ( 0.293 1.260 0.257) 1.319 3.180 ( 7.896 0.041 -0.505) 7.912 3.246 ( 10.417 -3.179 -1.222) 10.960 3.351 ( 3.659 -0.757 1.591) 4.061 3.501 ( 2.754 -0.281 -0.409) 2.799 3.587 ( -4.232 -1.110 -0.603) 4.417 3.686 ( -2.985 0.756 -0.458) 3.113 3.759 ( -2.580 1.561 0.732) 3.102 3.971 ( -4.398 -0.277 -0.433) 4.428 4.016 ( -6.263 -2.343 1.772) 6.918 4.102 ( -3.913 -2.625 -0.869) 4.792 4.419 ( -6.107 -1.093 0.395) 6.217 4.428 ( -6.467 -0.953 -0.155) 6.539======================= Grid point 510 (192/288) =======================q-point: (-0.21 -0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.282 ( 0.739 0.576 0.218) 0.962 1.473 ( -0.178 -0.037 -0.638) 0.664 1.487 ( -1.345 -0.786 0.380) 1.604 1.776 ( 1.518 -0.379 -0.148) 1.572 1.781 ( 1.045 0.428 0.011) 1.129 1.850 ( 3.283 -0.335 -0.019) 3.300 1.901 ( -1.086 0.514 0.134) 1.208 2.555 ( 6.600 -0.007 0.010) 6.600 2.638 ( -0.910 0.079 0.183) 0.932 3.297 ( 5.955 -0.006 -0.221) 5.960 3.387 ( 0.963 -2.256 0.140) 2.457 3.397 ( 3.517 0.994 0.393) 3.676 3.491 ( 1.982 1.662 -2.465) 3.573 3.573 ( 1.260 -2.033 0.497) 2.443 3.631 ( -4.965 0.387 0.412) 4.997 3.748 ( -0.339 2.118 1.899) 2.864 3.882 ( -5.121 -0.933 -0.377) 5.219 3.895 ( -2.996 -0.401 -0.643) 3.091 4.035 ( -2.313 -0.269 -0.225) 2.339 4.334 ( -2.748 -0.017 0.084) 2.750 4.339 ( -2.899 0.057 0.041) 2.900======================= Grid point 511 (193/288) =======================q-point: (-0.14 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.288 ( -0.275 -0.476 0.000) 0.550 1.464 ( -0.086 -0.149 0.000) 0.172 1.489 ( 0.821 1.423 0.000) 1.643 1.772 ( -0.658 -1.139 0.000) 1.316 1.782 ( -0.871 -1.509 -0.000) 1.743 1.850 ( -1.535 -2.659 -0.000) 3.070 1.904 ( 0.552 0.956 -0.000) 1.104 2.555 ( -3.288 -5.695 0.000) 6.576 2.643 ( 0.685 1.186 0.000) 1.369 3.290 ( -3.189 -5.524 -0.000) 6.378 3.403 ( -0.579 -1.002 0.000) 1.158 3.410 ( -0.423 -0.734 -0.000) 0.847 3.427 ( -2.807 -4.861 -0.000) 5.613 3.577 ( -0.936 -1.621 -0.000) 1.872 3.640 ( 2.337 4.048 0.000) 4.675 3.813 ( 3.238 5.608 0.000) 6.475 3.836 ( 0.194 0.337 -0.000) 0.389 3.898 ( 1.633 2.829 -0.000) 3.266 4.026 ( 0.961 1.665 0.000) 1.922 4.336 ( 1.473 2.552 -0.000) 2.946 4.340 ( 1.504 2.605 0.000) 3.008======================= Grid point 522 (194/288) =======================q-point: ( 0.57 0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.205 ( -0.000 -2.670 0.218) 2.679 1.248 ( 0.000 -1.299 -0.479) 1.385 1.466 ( -0.000 0.754 0.815) 1.110 1.485 ( 0.000 1.014 -0.050) 1.015 1.661 ( -0.000 1.724 0.655) 1.845 1.686 ( 0.000 2.940 -0.376) 2.964 1.884 ( 0.000 1.700 0.168) 1.708 2.313 ( 0.000 -0.843 -0.436) 0.949 2.692 ( -0.000 -0.194 0.498) 0.534 2.898 ( 0.000 -5.948 -2.878) 6.608 2.960 ( -0.000 -6.715 0.230) 6.718 3.199 ( -0.000 -2.394 2.903) 3.763 3.383 ( -0.000 -5.359 -1.225) 5.497 3.671 ( -0.000 -3.352 -0.630) 3.411 3.848 ( 0.000 3.889 -0.595) 3.934 3.937 ( 0.000 1.702 0.470) 1.766 3.972 ( 0.000 0.089 -0.538) 0.545 4.172 ( -0.000 -0.920 3.076) 3.210 4.319 ( 0.000 1.188 -0.111) 1.193 4.658 ( -0.000 -0.977 0.982) 1.385 4.704 ( -0.000 -2.479 -0.805) 2.606======================= Grid point 523 (195/288) =======================q-point: ( 0.64 0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.190 ( 1.369 -1.787 -0.521) 2.310 1.323 ( 9.037 -0.761 -0.471) 9.081 1.486 ( -0.230 1.281 0.120) 1.307 1.525 ( 4.492 -0.151 1.270) 4.671 1.662 ( -1.061 0.702 0.065) 1.274 1.725 ( 1.894 1.490 -0.464) 2.454 1.898 ( -0.253 1.368 0.471) 1.469 2.305 ( 0.330 -0.360 0.111) 0.500 2.666 ( -1.853 -0.738 -0.065) 1.996 2.902 ( 6.248 -2.601 -3.355) 7.554 2.950 ( 4.937 -3.871 0.250) 6.279 3.222 ( 3.346 -1.033 4.025) 5.335 3.365 ( 2.433 -2.381 -0.534) 3.445 3.644 ( 0.054 -1.691 -0.974) 1.952 3.849 ( -2.694 0.487 -3.750) 4.643 3.884 ( -5.072 2.306 2.228) 6.000 4.011 ( 1.619 -0.160 -0.664) 1.757 4.149 ( -2.172 -0.997 2.496) 3.456 4.296 ( -4.041 0.899 -0.008) 4.140 4.619 ( -3.774 -0.725 0.740) 3.914 4.646 ( -4.197 -1.318 -0.492) 4.427======================= Grid point 524 (196/288) =======================q-point: (-0.29 -0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.214 ( 2.437 0.321 -0.353) 2.483 1.471 ( 1.500 0.194 0.741) 1.684 1.522 ( 9.501 0.114 -0.660) 9.524 1.580 ( -0.280 -0.696 0.951) 1.212 1.671 ( 3.713 -0.468 -0.741) 3.815 1.770 ( 2.359 0.054 -0.435) 2.400 1.905 ( -0.014 0.425 0.568) 0.710 2.334 ( 3.472 -0.009 0.124) 3.474 2.637 ( -0.767 -0.103 0.245) 0.812 3.035 ( 10.299 -1.003 -2.607) 10.672 3.044 ( 8.051 1.335 -0.139) 8.163 3.284 ( 3.598 -0.263 2.794) 4.563 3.416 ( 4.756 -0.038 0.323) 4.767 3.630 ( -1.092 -0.258 -1.129) 1.592 3.756 ( -5.181 -0.956 -2.869) 5.999 3.842 ( -3.878 2.177 2.712) 5.209 4.006 ( -1.155 -1.005 -2.463) 2.900 4.091 ( -3.848 -1.094 2.542) 4.740 4.200 ( -7.154 0.160 -0.468) 7.171 4.524 ( -6.314 -0.432 0.284) 6.335 4.544 ( -6.847 0.395 0.024) 6.859======================= Grid point 525 (197/288) =======================q-point: (-0.21 -0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.274 ( 2.287 2.851 0.320) 3.669 1.465 ( -0.096 -1.071 -0.245) 1.103 1.521 ( -3.454 -1.829 -0.033) 3.908 1.692 ( 7.736 -0.653 0.250) 7.768 1.742 ( 3.857 0.044 -0.996) 3.984 1.800 ( 1.831 -1.302 0.039) 2.247 1.907 ( 0.211 -0.572 0.536) 0.812 2.419 ( 6.808 -1.628 -0.022) 7.000 2.632 ( 0.356 -1.061 0.493) 1.223 3.175 ( 8.020 0.186 -0.872) 8.069 3.254 ( 10.744 3.986 -0.905) 11.495 3.339 ( 2.495 -1.063 1.090) 2.923 3.504 ( 3.936 0.964 -0.516) 4.086 3.563 ( -5.213 -1.143 -1.621) 5.577 3.689 ( -2.068 0.012 -0.256) 2.083 3.805 ( -2.852 1.600 4.069) 5.221 3.952 ( -3.077 0.014 -3.221) 4.454 3.988 ( -7.228 -1.347 0.786) 7.394 4.108 ( -4.182 3.266 -0.374) 5.320 4.415 ( -5.859 0.648 0.076) 5.895 4.432 ( -6.703 1.332 0.203) 6.837======================= Grid point 537 (198/288) =======================q-point: (-0.36 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.166 ( 0.000 -0.242 -0.904) 0.935 1.231 ( 0.000 -0.043 -1.056) 1.057 1.478 ( -0.000 -0.052 1.376) 1.377 1.507 ( -0.000 0.317 1.056) 1.103 1.672 ( 0.000 -0.503 -0.302) 0.587 1.713 ( 0.000 0.037 -0.588) 0.590 1.911 ( -0.000 0.324 0.832) 0.892 2.304 ( -0.000 0.463 0.625) 0.778 2.674 ( 0.000 -0.713 -0.831) 1.095 2.819 ( 0.000 -0.163 -4.668) 4.671 2.891 ( -0.000 0.086 0.814) 0.818 3.197 ( -0.000 0.566 5.970) 5.997 3.333 ( 0.000 0.166 -0.722) 0.741 3.632 ( 0.000 -0.012 -1.262) 1.262 3.865 ( 0.000 -1.060 -3.889) 4.030 3.968 ( -0.000 0.457 1.964) 2.016 3.971 ( 0.000 0.100 -1.289) 1.293 4.162 ( -0.000 -1.100 1.704) 2.028 4.338 ( -0.000 0.012 0.307) 0.307 4.647 ( -0.000 -0.470 0.378) 0.603 4.677 ( 0.000 0.425 -0.095) 0.435======================= Grid point 538 (199/288) =======================q-point: (-0.29 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.187 ( 1.749 1.820 -0.713) 2.623 1.320 ( 9.375 0.861 -0.643) 9.436 1.497 ( -0.848 -1.083 0.853) 1.618 1.520 ( 4.425 -0.616 1.095) 4.600 1.652 ( -1.103 -1.351 -0.707) 1.882 1.723 ( 1.907 -1.443 -0.571) 2.459 1.907 ( -0.241 -0.737 1.001) 1.267 2.312 ( -0.056 1.016 0.645) 1.205 2.654 ( -1.288 -0.230 -0.765) 1.516 2.889 ( 6.763 2.877 -3.945) 8.341 2.954 ( 4.849 3.971 0.504) 6.288 3.244 ( 2.360 1.417 5.194) 5.879 3.366 ( 2.486 2.563 -0.414) 3.595 3.639 ( -0.002 1.431 -1.333) 1.956 3.807 ( -3.288 -2.971 -3.925) 5.920 3.924 ( -3.150 0.593 2.410) 4.010 3.995 ( 0.712 -0.833 -2.060) 2.334 4.136 ( -2.043 -1.010 1.679) 2.831 4.297 ( -4.074 -0.885 0.053) 4.170 4.612 ( -3.797 0.053 0.175) 3.801 4.653 ( -4.167 1.861 0.090) 4.564======================= Grid point 539 (200/288) =======================q-point: (-0.21 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.257 ( 3.329 3.399 -0.124) 4.759 1.453 ( 0.092 -2.548 0.186) 2.556 1.524 ( 9.017 0.050 -0.309) 9.022 1.558 ( -0.703 -1.299 0.662) 1.618 1.651 ( 4.865 -0.911 -1.178) 5.087 1.743 ( 2.647 -2.566 -0.094) 3.688 1.894 ( -0.094 -1.764 0.845) 1.958 2.331 ( 1.921 -0.229 0.330) 1.963 2.626 ( -1.046 -1.402 0.021) 1.749 3.048 ( 7.822 3.407 -1.901) 8.741 3.135 ( 9.205 7.066 -0.724) 11.627 3.303 ( 1.950 0.953 2.815) 3.554 3.459 ( 3.751 4.376 -0.540) 5.789 3.626 ( -3.389 -0.428 -2.134) 4.028 3.719 ( -2.107 -1.202 -1.342) 2.772 3.876 ( -3.378 -0.213 3.967) 5.215 3.977 ( -1.103 -0.619 -3.738) 3.947 4.082 ( -4.235 -0.389 1.634) 4.556 4.212 ( -4.513 1.841 -0.546) 4.904 4.529 ( -6.048 0.826 -0.017) 6.104 4.575 ( -7.135 2.341 0.193) 7.512======================= Grid point 552 (201/288) =======================q-point: (-0.29 -0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.197 ( 0.000 3.261 -0.219) 3.268 1.242 ( 0.000 1.527 -0.868) 1.756 1.472 ( -0.000 -1.100 1.163) 1.601 1.485 ( -0.000 -3.255 0.059) 3.255 1.650 ( -0.000 -1.042 -0.196) 1.060 1.683 ( -0.000 -2.867 -0.561) 2.922 1.901 ( -0.000 -1.436 1.147) 1.839 2.336 ( -0.000 1.919 1.199) 2.263 2.661 ( 0.000 -0.818 -1.513) 1.720 2.864 ( 0.000 6.226 -4.260) 7.544 2.969 ( 0.000 6.995 0.852) 7.046 3.256 ( -0.000 2.711 6.068) 6.646 3.381 ( 0.000 5.364 -1.389) 5.541 3.658 ( 0.000 2.757 -1.515) 3.146 3.788 ( 0.000 -4.995 -4.021) 6.412 3.961 ( -0.000 -1.600 1.319) 2.074 3.969 ( 0.000 0.218 -0.957) 0.981 4.147 ( -0.000 -0.568 1.581) 1.680 4.319 ( -0.000 -1.379 -0.023) 1.379 4.649 ( -0.000 0.567 0.222) 0.609 4.713 ( 0.000 2.688 -0.081) 2.690======================= Grid point 553 (202/288) =======================q-point: (-0.21 -0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.237 ( 1.870 2.603 0.459) 3.237 1.349 ( 8.112 1.408 0.288) 8.239 1.439 ( 0.197 -4.517 -1.594) 4.794 1.502 ( 4.407 -1.611 0.397) 4.709 1.629 ( -1.636 -0.079 0.312) 1.667 1.666 ( 2.107 -4.093 -0.299) 4.613 1.882 ( -0.425 -2.130 0.824) 2.323 2.340 ( -1.365 1.081 0.898) 1.959 2.628 ( -1.320 -3.114 -0.748) 3.464 2.982 ( 5.258 7.338 -2.819) 9.457 3.090 ( 4.838 8.924 0.171) 10.152 3.302 ( 0.895 2.106 3.921) 4.540 3.467 ( 2.192 8.195 -2.018) 8.720 3.667 ( -2.292 -0.189 -2.110) 3.121 3.721 ( -0.291 -2.269 -1.848) 2.941 3.923 ( -2.274 -1.456 2.168) 3.463 3.974 ( 0.008 -0.278 -1.747) 1.769 4.135 ( -1.757 0.608 1.938) 2.685 4.285 ( -2.580 0.732 -0.500) 2.728 4.624 ( -3.707 1.080 0.082) 3.862 4.702 ( -4.340 2.746 -0.162) 5.138======================= Grid point 567 (203/288) =======================q-point: (-0.21 -0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.260 ( -0.000 1.178 2.046) 2.361 1.280 ( 0.000 2.250 -0.038) 2.250 1.376 ( -0.000 -6.215 -1.942) 6.511 1.441 ( -0.000 -2.373 0.259) 2.387 1.598 ( -0.000 -5.533 -0.263) 5.539 1.654 ( 0.000 1.504 0.156) 1.512 1.863 ( -0.000 -2.850 0.624) 2.918 2.364 ( -0.000 -0.080 0.412) 0.420 2.593 ( -0.000 -6.398 -0.153) 6.399 3.017 ( 0.000 9.815 -2.221) 10.063 3.143 ( 0.000 9.758 0.279) 9.762 3.316 ( -0.000 0.282 2.230) 2.248 3.540 ( 0.000 11.353 -3.938) 12.017 3.661 ( -0.000 -5.438 -1.480) 5.636 3.715 ( 0.000 3.293 -0.708) 3.368 3.929 ( -0.000 -1.534 0.503) 1.614 3.976 ( -0.000 0.778 0.674) 1.029 4.165 ( -0.000 1.417 2.295) 2.698 4.318 ( 0.000 2.257 -0.634) 2.344 4.670 ( 0.000 1.474 0.027) 1.474 4.766 ( 0.000 2.638 -0.446) 2.675======================= Grid point 644 (204/288) =======================q-point: ( 0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.286 ( -0.000 0.000 14.952) 14.952 0.286 ( -0.000 0.000 14.952) 14.952 0.330 ( -0.000 0.000 22.445) 22.445 0.934 ( 0.000 -0.000 -3.393) 3.393 0.934 ( 0.000 -0.000 -3.393) 3.393 1.497 ( 0.000 -0.000 -7.171) 7.171 1.506 ( -0.000 0.000 0.522) 0.522 1.506 ( -0.000 0.000 0.522) 0.522 2.474 ( -0.000 0.000 11.628) 11.628 2.474 ( -0.000 0.000 11.628) 11.628 2.586 ( 0.000 -0.000 -0.281) 0.281 3.380 ( 0.000 -0.000 -6.448) 6.448 3.380 ( 0.000 -0.000 -6.448) 6.448 4.034 ( 0.000 0.000 -0.054) 0.054 4.034 ( 0.000 0.000 -0.054) 0.054 4.191 ( -0.000 0.000 0.376) 0.376 4.191 ( -0.000 0.000 0.376) 0.376 4.395 ( -0.000 0.000 2.979) 2.979 4.635 ( -0.000 0.000 5.913) 5.913 5.027 ( -0.000 0.000 0.608) 0.608 5.252 ( -0.000 0.000 2.874) 2.874======================= Grid point 645 (205/288) =======================q-point: ( 0.29 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.447 ( 9.093 5.250 16.198) 19.303 0.552 ( 15.450 8.920 7.217) 19.245 0.710 ( 22.195 12.814 6.272) 26.384 0.974 ( 4.401 2.541 -3.346) 6.085 1.063 ( 9.583 5.533 -4.025) 11.775 1.482 ( 1.601 0.925 -2.952) 3.483 1.506 ( -0.410 -0.237 0.533) 0.713 1.547 ( 3.499 2.020 -2.579) 4.793 2.548 ( -2.876 -1.660 -1.473) 3.633 2.562 ( 5.609 3.239 11.465) 13.168 3.348 ( 33.182 19.157 -28.346) 47.661 3.361 ( -0.331 -0.191 -6.390) 6.401 3.454 ( 5.615 3.242 -3.267) 7.260 4.004 ( -3.150 -1.819 -0.164) 3.641 4.018 ( -1.021 -0.590 1.085) 1.602 4.157 ( -2.682 -1.549 0.344) 3.116 4.186 ( -0.637 -0.368 0.127) 0.746 4.443 ( 1.806 1.043 -1.724) 2.705 4.609 ( -2.898 -1.673 4.209) 5.377 4.987 ( -3.483 -2.011 0.976) 4.138 5.208 ( -4.126 -2.382 1.915) 5.134======================= Grid point 646 (206/288) =======================q-point: ( 0.36 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.708 ( 10.624 6.134 10.992) 16.472 0.903 ( 13.638 7.874 3.285) 16.087 1.105 ( 7.072 4.083 -2.544) 8.553 1.155 ( 12.804 7.393 -3.682) 15.237 1.297 ( 12.638 7.296 -2.578) 14.819 1.489 ( -1.158 -0.669 0.437) 1.407 1.587 ( 6.343 3.662 3.699) 8.206 1.674 ( 9.648 5.570 -2.511) 11.419 2.461 ( -3.972 -2.293 -2.785) 5.366 2.755 ( 9.198 5.310 9.479) 14.235 3.347 ( 0.057 0.033 -4.938) 4.938 3.527 ( 0.236 0.137 0.420) 0.501 3.786 ( 11.788 6.806 -8.706) 16.158 3.894 ( -6.171 -3.563 -0.443) 7.139 3.983 ( -2.681 -1.548 3.787) 4.892 4.077 ( -4.170 -2.407 0.168) 4.818 4.169 ( -0.607 -0.350 -0.558) 0.896 4.416 ( -3.721 -2.148 -0.913) 4.393 4.546 ( -2.540 -1.466 -0.165) 2.937 4.881 ( -5.765 -3.329 1.533) 6.832 5.086 ( -6.359 -3.672 0.692) 7.376======================= Grid point 647 (207/288) =======================q-point: ( 0.43 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.944 ( 8.541 4.931 5.937) 11.511 1.162 ( 8.296 4.790 1.234) 9.658 1.274 ( 7.902 4.562 -1.400) 9.232 1.320 ( 5.789 3.342 -4.112) 7.848 1.458 ( -1.421 -0.820 0.486) 1.711 1.571 ( 8.707 5.027 -1.351) 10.144 1.710 ( 4.240 2.448 0.592) 4.932 1.980 ( 14.077 8.127 3.587) 16.645 2.393 ( -0.136 -0.078 -3.981) 3.985 2.988 ( 9.289 5.363 6.004) 12.292 3.336 ( -1.038 -0.599 -2.234) 2.535 3.464 ( -5.321 -3.072 0.554) 6.169 3.745 ( -5.911 -3.413 -0.396) 6.837 3.874 ( -4.745 -2.740 3.415) 6.457 3.921 ( -1.851 -1.069 2.141) 3.026 3.978 ( -4.093 -2.363 -0.376) 4.741 4.144 ( -2.463 -1.422 -1.271) 3.115 4.340 ( -1.530 -0.883 1.433) 2.274 4.479 ( -3.405 -1.966 -2.704) 4.772 4.753 ( -5.006 -2.890 1.966) 6.106 4.941 ( -5.923 -3.420 -0.118) 6.840======================= Grid point 648 (208/288) =======================q-point: ( 0.50 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.121 ( 6.572 3.794 1.273) 7.694 1.282 ( 2.247 1.298 -0.444) 2.633 1.412 ( 1.853 1.070 0.464) 2.189 1.439 ( 4.330 2.500 0.366) 5.013 1.472 ( 5.089 2.938 0.078) 5.877 1.647 ( -1.237 -0.714 -0.678) 1.581 1.794 ( 3.369 1.945 -0.110) 3.892 2.218 ( 6.194 3.576 0.405) 7.164 2.493 ( 8.252 4.765 -1.180) 9.602 3.148 ( 1.177 0.679 1.018) 1.698 3.270 ( -2.618 -1.512 1.315) 3.297 3.309 ( -7.890 -4.556 -0.007) 9.111 3.677 ( 0.405 0.234 0.451) 0.649 3.701 ( -9.674 -5.585 4.657) 12.103 3.848 ( -4.672 -2.697 1.565) 5.617 3.907 ( -1.601 -0.925 -0.853) 2.036 4.066 ( -3.218 -1.858 -1.629) 4.057 4.316 ( -1.710 -0.987 2.702) 3.347 4.378 ( -4.864 -2.808 -2.371) 6.097 4.689 ( -0.831 -0.480 1.184) 1.524 4.826 ( -4.148 -2.395 -0.141) 4.792======================= Grid point 649 (209/288) =======================q-point: ( 0.57 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.240 ( 2.895 1.671 -1.925) 3.857 1.277 ( -1.724 -0.995 -0.033) 1.991 1.450 ( 1.892 1.092 -0.076) 2.186 1.465 ( -2.017 -1.164 3.726) 4.394 1.596 ( 4.618 2.666 0.234) 5.337 1.630 ( 1.569 0.906 -0.974) 2.057 1.857 ( 2.211 1.276 -0.773) 2.667 2.306 ( 2.003 1.157 -1.234) 2.622 2.650 ( 4.136 2.388 0.980) 4.876 3.008 ( -8.987 -5.189 2.022) 10.573 3.125 ( -7.734 -4.465 -0.492) 8.944 3.287 ( 0.859 0.496 -2.396) 2.593 3.493 ( -8.293 -4.788 2.844) 9.989 3.731 ( 3.119 1.801 2.817) 4.572 3.737 ( -4.912 -2.836 1.845) 5.964 3.911 ( 1.811 1.046 -1.209) 2.415 4.004 ( -1.998 -1.154 -1.092) 2.553 4.270 ( -3.847 -2.221 -0.910) 4.535 4.293 ( -0.058 -0.033 1.009) 1.011 4.688 ( -0.050 -0.029 0.191) 0.200 4.746 ( -3.018 -1.743 0.215) 3.492======================= Grid point 650 (210/288) =======================q-point: ( 0.64 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.209 ( -3.753 -2.167 -0.231) 4.340 1.236 ( -1.605 -0.926 0.808) 2.021 1.478 ( 2.495 1.440 0.614) 2.945 1.485 ( 1.180 0.681 -1.158) 1.788 1.667 ( 0.913 0.527 0.128) 1.062 1.676 ( 2.354 1.359 0.616) 2.787 1.899 ( 1.652 0.954 -1.256) 2.284 2.318 ( -0.355 -0.205 -1.003) 1.084 2.683 ( -0.682 -0.394 1.382) 1.590 2.832 ( -6.116 -3.531 3.661) 7.954 2.970 ( -5.374 -3.103 -0.877) 6.267 3.280 ( -0.340 -0.196 -5.444) 5.458 3.359 ( -3.639 -2.101 1.268) 4.389 3.646 ( -3.114 -1.798 1.940) 4.086 3.799 ( 1.851 1.068 4.141) 4.660 3.960 ( 2.151 1.242 -1.462) 2.882 3.970 ( -0.961 -0.555 -0.118) 1.116 4.209 ( -1.541 -0.890 -0.765) 1.937 4.318 ( 1.703 0.983 -0.114) 1.970 4.677 ( -0.808 -0.467 -0.997) 1.366 4.688 ( -1.940 -1.120 0.898) 2.414======================= Grid point 651 (211/288) =======================q-point: (-0.29 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.154 ( -0.309 -0.178 0.999) 1.061 1.217 ( -0.050 -0.029 1.208) 1.209 1.496 ( -0.055 -0.032 -1.692) 1.693 1.520 ( 0.537 0.310 -1.220) 1.368 1.668 ( -0.665 -0.384 0.413) 0.872 1.705 ( 0.044 0.025 0.821) 0.822 1.922 ( 0.291 0.168 -0.996) 1.051 2.313 ( 0.564 0.326 -0.893) 1.105 2.662 ( -0.772 -0.446 1.180) 1.479 2.766 ( -0.117 -0.068 4.434) 4.436 2.902 ( 0.074 0.042 -1.125) 1.129 3.270 ( 0.629 0.363 -6.468) 6.508 3.324 ( 0.159 0.092 0.843) 0.863 3.613 ( 0.037 0.021 1.941) 1.942 3.818 ( -0.970 -0.560 4.163) 4.311 3.959 ( -0.105 -0.061 0.703) 0.713 3.987 ( 0.242 0.140 -1.348) 1.376 4.181 ( -1.010 -0.583 -1.425) 1.842 4.342 ( -0.006 -0.004 -0.441) 0.441 4.653 ( -0.639 -0.369 -0.522) 0.904 4.676 ( 0.603 0.348 0.169) 0.716======================= Grid point 652 (212/288) =======================q-point: (-0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.197 ( 3.339 1.928 -0.137) 3.859 1.237 ( 1.493 0.862 0.869) 1.931 1.479 ( -1.153 -0.666 -1.290) 1.854 1.485 ( -3.531 -2.039 0.152) 4.080 1.649 ( -0.645 -0.372 -0.089) 0.750 1.680 ( -2.413 -1.393 0.653) 2.861 1.906 ( -1.284 -0.741 -0.931) 1.751 2.342 ( 1.682 0.971 -0.793) 2.098 2.654 ( -0.673 -0.389 0.952) 1.229 2.841 ( 5.738 3.313 3.936) 7.707 2.974 ( 5.957 3.439 -0.797) 6.925 3.288 ( 1.872 1.081 -5.655) 6.054 3.373 ( 4.301 2.483 1.625) 5.226 3.649 ( 2.464 1.423 1.712) 3.321 3.767 ( -4.063 -2.346 3.473) 5.837 3.965 ( 0.413 0.238 0.569) 0.742 3.967 ( -1.539 -0.888 -0.990) 2.034 4.158 ( -0.398 -0.230 -2.274) 2.320 4.319 ( -1.373 -0.793 -0.025) 1.585 4.651 ( 0.473 0.273 -0.551) 0.775 4.712 ( 2.256 1.302 0.356) 2.629======================= Grid point 659 (213/288) =======================q-point: ( 0.29 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.489 ( -0.000 11.224 16.652) 20.082 0.562 ( -0.000 17.459 6.753) 18.720 0.715 ( 0.000 23.937 6.102) 24.702 0.990 ( 0.000 5.798 -3.208) 6.627 1.042 ( 0.000 11.451 -3.820) 12.071 1.470 ( 0.000 1.822 -5.269) 5.575 1.494 ( -0.000 -1.034 0.576) 1.184 1.552 ( 0.000 3.811 -1.019) 3.945 2.546 ( 0.000 -3.332 -1.644) 3.716 2.582 ( -0.000 6.510 11.791) 13.469 3.263 ( 0.000 33.946 -21.875) 40.384 3.356 ( 0.000 -0.180 -6.752) 6.754 3.455 ( 0.000 9.355 -4.857) 10.541 3.985 ( -0.000 -4.234 -0.086) 4.234 4.037 ( -0.000 -0.506 0.890) 1.023 4.168 ( -0.000 -2.792 0.303) 2.808 4.173 ( -0.000 -1.463 0.419) 1.522 4.457 ( 0.000 2.586 0.476) 2.630 4.624 ( -0.000 -1.945 2.630) 3.271 4.991 ( -0.000 -3.785 1.170) 3.962 5.207 ( -0.000 -5.276 1.223) 5.416======================= Grid point 660 (214/288) =======================q-point: ( 0.36 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.684 ( 5.025 11.939 13.589) 18.773 0.836 ( 8.704 15.365 4.011) 18.109 1.032 ( 9.061 12.776 -2.468) 15.856 1.078 ( 4.012 9.097 -2.848) 10.342 1.221 ( 6.457 11.779 -2.739) 13.709 1.489 ( 0.379 -1.069 0.659) 1.312 1.546 ( 4.709 7.148 1.119) 8.632 1.613 ( 3.062 5.364 -2.734) 6.755 2.482 ( -2.475 -4.102 -2.558) 5.431 2.722 ( 4.650 8.573 10.437) 14.285 3.332 ( -0.248 -0.262 -5.807) 5.818 3.526 ( 2.588 3.796 -0.094) 4.595 3.650 ( 10.964 14.260 -11.295) 21.240 3.921 ( -2.096 -5.542 -0.587) 5.954 4.013 ( -1.847 -1.193 2.536) 3.356 4.108 ( -2.669 -3.488 0.770) 4.459 4.163 ( 0.158 -1.439 -0.626) 1.577 4.437 ( -2.398 -3.744 0.408) 4.465 4.590 ( -2.663 -0.106 -0.214) 2.674 4.921 ( -3.255 -4.808 1.556) 6.011 5.116 ( -3.297 -7.047 0.206) 7.783======================= Grid point 661 (215/288) =======================q-point: ( 0.43 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.908 ( 5.458 9.616 9.083) 14.309 1.112 ( 6.758 10.550 1.787) 12.656 1.208 ( 6.912 6.267 -2.980) 9.794 1.260 ( 5.064 6.631 -4.655) 9.554 1.457 ( 4.722 3.960 -1.230) 6.285 1.495 ( 3.554 4.806 0.277) 5.984 1.672 ( 3.341 3.674 1.059) 5.078 1.851 ( 12.310 12.270 2.161) 17.515 2.390 ( -2.231 -3.446 -3.613) 5.469 2.928 ( 6.902 8.558 7.660) 13.400 3.322 ( 0.563 -0.815 -3.712) 3.842 3.529 ( -3.314 -0.709 0.922) 3.512 3.798 ( -4.587 -4.945 -1.148) 6.842 3.868 ( 3.762 1.391 -0.663) 4.065 3.957 ( -3.115 -2.941 3.410) 5.476 4.021 ( -3.969 -2.855 2.256) 5.384 4.156 ( -0.164 -0.514 -1.504) 1.598 4.334 ( -1.824 -5.632 -0.824) 5.977 4.529 ( -4.065 -0.724 -1.134) 4.282 4.802 ( -4.881 -4.944 2.351) 7.334 4.974 ( -4.309 -7.286 -0.746) 8.497======================= Grid point 662 (216/288) =======================q-point: ( 0.50 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.084 ( 4.324 7.000 3.897) 9.104 1.279 ( 3.326 5.972 0.314) 6.843 1.378 ( 5.412 4.408 -1.558) 7.152 1.405 ( 4.717 8.039 -1.005) 9.375 1.461 ( -0.508 1.143 0.315) 1.290 1.639 ( 2.523 1.747 -0.557) 3.119 1.756 ( 3.067 1.942 -0.006) 3.631 2.151 ( 7.713 7.351 2.617) 10.972 2.385 ( 6.225 0.932 -3.445) 7.175 3.124 ( 5.011 6.138 3.815) 8.795 3.297 ( -2.140 -2.154 -0.581) 3.091 3.426 ( -7.091 -1.176 0.463) 7.202 3.678 ( -2.836 -2.991 -0.302) 4.132 3.814 ( -6.913 -4.427 4.437) 9.331 3.885 ( -1.678 -3.947 -0.617) 4.334 3.921 ( -4.612 -3.080 2.396) 6.042 4.099 ( -2.933 -2.481 -2.025) 4.343 4.309 ( 1.107 -2.469 0.514) 2.754 4.433 ( -4.995 -2.244 -1.738) 5.746 4.692 ( -2.363 -4.036 2.622) 5.362 4.841 ( -2.933 -6.335 -0.955) 7.046======================= Grid point 663 (217/288) =======================q-point: ( 0.57 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.213 ( 3.030 4.862 -0.107) 5.730 1.334 ( -1.948 3.771 0.468) 4.270 1.471 ( 0.090 4.798 0.981) 4.898 1.487 ( 1.509 2.335 0.440) 2.814 1.560 ( 4.025 5.061 -0.434) 6.481 1.617 ( -1.649 -1.501 -0.338) 2.255 1.822 ( 2.952 0.897 -0.308) 3.101 2.272 ( 3.017 1.927 -0.639) 3.636 2.559 ( 8.661 1.880 -0.109) 8.863 3.125 ( -7.627 -1.917 0.915) 7.917 3.253 ( -7.797 0.072 0.436) 7.810 3.295 ( -1.707 1.775 -0.053) 2.463 3.615 ( -8.827 -4.194 3.934) 10.534 3.680 ( 2.149 -0.799 1.522) 2.752 3.803 ( -4.495 -2.323 0.887) 5.137 3.852 ( 1.673 -4.185 -1.312) 4.694 4.040 ( -1.960 -0.390 -1.268) 2.366 4.279 ( -0.602 -3.043 -0.175) 3.107 4.316 ( -4.736 -3.078 -0.144) 5.651 4.658 ( 1.322 -3.226 1.177) 3.679 4.746 ( -1.365 -5.577 -0.317) 5.750======================= Grid point 664 (218/288) =======================q-point: ( 0.64 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.241 ( -2.625 0.151 -0.880) 2.773 1.340 ( -3.725 6.101 -0.113) 7.149 1.463 ( -1.368 0.315 1.736) 2.233 1.519 ( -0.816 5.139 0.090) 5.205 1.631 ( 3.212 -0.251 -0.463) 3.255 1.666 ( 2.064 3.803 0.345) 4.341 1.871 ( 2.182 0.641 -0.981) 2.477 2.311 ( 0.710 0.028 -0.718) 1.010 2.660 ( 2.820 -1.252 0.659) 3.155 2.964 ( -9.103 0.261 2.564) 9.461 3.080 ( -9.574 0.028 -0.171) 9.576 3.297 ( -1.619 1.563 -3.237) 3.943 3.444 ( -7.337 -0.964 1.641) 7.580 3.684 ( -2.621 -2.789 2.028) 4.332 3.766 ( 2.467 -0.102 3.430) 4.227 3.869 ( 4.461 -3.442 -2.648) 6.226 4.014 ( -1.528 1.159 -0.088) 1.919 4.218 ( -2.116 -2.637 -1.900) 3.879 4.271 ( 2.246 -2.731 1.063) 3.693 4.650 ( 1.289 -3.673 -0.323) 3.906 4.678 ( -0.389 -5.128 0.461) 5.164======================= Grid point 665 (219/288) =======================q-point: ( 0.71 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.183 ( -2.640 0.155 0.602) 2.713 1.316 ( -5.662 7.688 0.677) 9.572 1.491 ( 2.032 0.477 -0.633) 2.181 1.539 ( -2.050 3.931 -1.131) 4.576 1.660 ( 0.847 -0.981 0.342) 1.341 1.718 ( 0.209 2.376 0.745) 2.499 1.907 ( 1.389 0.355 -1.046) 1.775 2.309 ( -0.257 0.064 -0.545) 0.606 2.661 ( -0.041 -1.675 0.651) 1.798 2.858 ( -6.190 4.548 3.940) 8.632 2.956 ( -5.322 2.101 -0.696) 5.764 3.274 ( -1.387 1.480 -4.727) 5.144 3.361 ( -3.256 1.771 -0.086) 3.707 3.628 ( -1.538 -0.712 1.866) 2.521 3.802 ( 1.731 -2.507 4.335) 5.298 3.909 ( 3.790 -2.345 -2.224) 4.981 4.002 ( -1.119 0.478 0.814) 1.464 4.173 ( -0.244 -2.383 -1.552) 2.854 4.297 ( 3.196 -3.176 -0.127) 4.508 4.628 ( 0.831 -3.947 -0.836) 4.119 4.640 ( 1.465 -3.924 0.534) 4.222======================= Grid point 666 (220/288) =======================q-point: (-0.21 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.183 ( 0.792 2.590 0.732) 2.805 1.316 ( -3.952 8.848 0.727) 9.718 1.501 ( -0.648 -1.535 -0.848) 1.870 1.527 ( -2.864 3.286 -1.344) 4.561 1.648 ( -0.505 -1.697 0.559) 1.857 1.719 ( -2.159 1.002 0.698) 2.480 1.913 ( -0.446 -0.603 -0.936) 1.199 2.316 ( 1.054 0.347 -0.600) 1.261 2.650 ( 0.202 -0.999 0.586) 1.175 2.866 ( -0.892 7.770 4.095) 8.828 2.957 ( 1.048 5.901 -0.624) 6.026 3.273 ( 0.312 2.037 -5.135) 5.533 3.364 ( 0.628 3.618 0.159) 3.676 3.630 ( 1.234 0.761 1.695) 2.231 3.785 ( -0.857 -4.012 3.778) 5.577 3.937 ( 1.988 -1.722 -2.096) 3.363 3.984 ( -1.085 -0.646 1.858) 2.247 4.146 ( 0.087 -2.177 -1.983) 2.947 4.297 ( 1.239 -4.147 -0.092) 4.329 4.614 ( 1.916 -3.310 -0.389) 3.845 4.653 ( 3.673 -2.652 0.059) 4.531======================= Grid point 674 (221/288) =======================q-point: ( 0.36 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.802 ( -0.000 13.824 13.302) 19.185 0.919 ( 0.000 16.125 2.914) 16.387 1.089 ( 0.000 10.636 -6.466) 12.448 1.116 ( 0.000 7.424 -2.844) 7.950 1.300 ( 0.000 14.702 -1.885) 14.822 1.471 ( -0.000 -1.420 0.837) 1.648 1.607 ( 0.000 12.401 3.139) 12.792 1.646 ( 0.000 8.112 -2.368) 8.450 2.453 ( 0.000 -4.899 -2.916) 5.701 2.801 ( -0.000 11.131 9.539) 14.659 3.326 ( 0.000 -0.560 -5.505) 5.533 3.534 ( 0.000 2.869 0.434) 2.902 3.682 ( 0.000 12.387 -5.071) 13.385 3.874 ( -0.000 -6.718 -0.047) 6.719 4.022 ( -0.000 -1.436 2.158) 2.592 4.087 ( -0.000 -5.195 -0.025) 5.195 4.152 ( -0.000 -0.112 0.120) 0.165 4.404 ( -0.000 -8.111 1.564) 8.261 4.612 ( 0.000 -0.295 -2.527) 2.544 4.904 ( -0.000 -4.778 1.330) 4.959 5.064 ( -0.000 -8.939 -0.163) 8.941======================= Grid point 675 (222/288) =======================q-point: ( 0.43 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.976 ( 1.917 12.367 10.791) 16.525 1.132 ( 3.786 11.016 0.118) 11.649 1.152 ( 4.704 6.289 -4.331) 8.968 1.245 ( 5.010 7.163 -3.747) 9.510 1.450 ( 1.363 5.582 -0.930) 5.821 1.486 ( 3.010 5.150 0.602) 5.995 1.684 ( 0.608 4.550 0.203) 4.595 1.851 ( 5.314 18.560 2.460) 19.462 2.382 ( -1.887 -4.384 -3.433) 5.879 2.957 ( 2.882 11.270 7.261) 13.713 3.304 ( -0.299 -0.848 -3.742) 3.849 3.544 ( 0.184 -2.356 0.371) 2.392 3.790 ( -1.374 -5.938 -1.043) 6.184 3.817 ( 3.643 2.763 1.801) 4.914 3.982 ( -2.796 -3.372 1.456) 4.616 4.037 ( -0.351 -3.435 2.389) 4.199 4.154 ( -0.335 1.108 -0.836) 1.428 4.291 ( -1.921 -9.947 0.499) 10.143 4.571 ( -2.390 -2.634 -2.349) 4.262 4.833 ( -3.407 -3.938 1.487) 5.416 4.948 ( -2.545 -9.188 -0.660) 9.557======================= Grid point 676 (223/288) =======================q-point: ( 0.50 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.126 ( 1.343 9.162 5.635) 10.840 1.243 ( 5.788 4.042 -2.280) 7.419 1.365 ( 4.660 9.113 1.091) 10.293 1.397 ( 5.549 6.924 -1.898) 9.074 1.475 ( 0.716 1.306 0.159) 1.498 1.615 ( 2.888 4.289 -0.090) 5.172 1.739 ( 1.383 2.896 -0.291) 3.223 2.134 ( 6.670 14.353 2.699) 16.055 2.314 ( 0.049 -2.384 -3.845) 4.524 3.130 ( 3.771 9.083 4.554) 10.838 3.291 ( 0.351 -1.434 -1.873) 2.385 3.494 ( -2.634 -3.186 1.188) 4.301 3.694 ( -2.367 -4.633 -1.798) 5.505 3.837 ( -1.125 -4.182 2.372) 4.938 3.880 ( -3.826 -4.832 0.073) 6.163 3.988 ( -4.284 -2.853 5.200) 7.316 4.098 ( -2.067 -6.223 -2.336) 6.961 4.245 ( 2.952 -1.532 0.773) 3.415 4.481 ( -3.633 -3.817 -1.945) 5.617 4.721 ( -5.239 -3.951 2.813) 7.139 4.811 ( -2.710 -8.263 -1.715) 8.863======================= Grid point 677 (224/288) =======================q-point: ( 0.57 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.237 ( 1.438 7.166 2.001) 7.577 1.372 ( 3.600 3.298 0.563) 4.915 1.462 ( 1.075 2.687 -1.100) 3.096 1.512 ( 2.699 4.879 0.638) 5.612 1.569 ( 2.630 7.571 -0.256) 8.019 1.646 ( -1.250 0.125 0.219) 1.275 1.784 ( 1.993 0.981 -0.342) 2.248 2.267 ( 0.182 3.743 -0.463) 3.776 2.420 ( 9.318 3.648 -0.614) 10.025 3.222 ( -3.627 1.324 0.821) 3.948 3.292 ( 2.013 2.872 0.975) 3.640 3.409 ( -5.435 -0.862 0.719) 5.549 3.631 ( -0.772 -1.792 0.622) 2.048 3.730 ( -5.357 -5.795 1.976) 8.135 3.780 ( -1.287 -4.924 -1.698) 5.365 3.860 ( -5.033 -4.233 2.109) 6.907 4.037 ( -0.009 -3.158 -0.920) 3.290 4.258 ( -0.092 -2.863 1.243) 3.123 4.370 ( -4.771 -3.433 -1.736) 6.128 4.615 ( -1.843 -4.681 2.820) 5.767 4.696 ( -1.248 -7.524 -1.570) 7.787======================= Grid point 678 (225/288) =======================q-point: ( 0.64 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.300 ( -2.131 3.735 -0.567) 4.337 1.407 ( -0.271 2.110 1.974) 2.903 1.530 ( 4.239 0.419 -0.850) 4.344 1.571 ( -5.000 2.864 -0.671) 5.801 1.604 ( 0.952 6.110 1.147) 6.289 1.687 ( 0.936 5.557 -0.011) 5.635 1.833 ( 2.817 0.573 -0.480) 2.914 2.305 ( 0.746 2.245 -0.627) 2.447 2.574 ( 5.930 0.132 0.034) 5.931 3.123 ( -7.553 1.474 1.274) 7.800 3.277 ( -10.380 2.075 0.229) 10.587 3.339 ( -0.878 2.535 -0.783) 2.794 3.562 ( -6.378 -2.442 1.856) 7.077 3.652 ( 1.915 -3.156 3.467) 5.064 3.751 ( 3.463 -3.806 -4.082) 6.568 3.766 ( -2.334 -2.169 1.451) 3.502 4.022 ( 0.937 -1.570 -0.607) 1.927 4.206 ( -1.120 -4.104 -0.888) 4.345 4.252 ( -4.170 -3.476 0.656) 5.468 4.573 ( 1.658 -5.597 1.050) 5.931 4.612 ( 0.293 -7.458 -0.609) 7.489======================= Grid point 679 (226/288) =======================q-point: ( 0.71 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.247 ( -4.265 0.538 0.010) 4.299 1.449 ( 1.403 2.141 0.198) 2.567 1.526 ( -5.765 7.552 0.114) 9.501 1.584 ( 2.037 -0.721 -0.712) 2.275 1.660 ( -1.196 4.824 0.898) 5.051 1.742 ( 0.438 3.515 0.128) 3.545 1.882 ( 2.005 0.820 -0.750) 2.292 2.329 ( -0.690 2.633 -0.278) 2.736 2.632 ( 1.923 -1.074 -0.070) 2.204 3.034 ( -6.636 5.598 2.065) 8.924 3.124 ( -10.298 4.096 0.518) 11.095 3.322 ( -2.620 1.994 -2.359) 4.050 3.459 ( -5.243 1.806 -0.127) 5.547 3.639 ( -0.306 -2.720 2.253) 3.545 3.741 ( 1.959 -3.806 3.156) 5.319 3.801 ( 5.009 -1.562 -3.441) 6.275 4.017 ( -0.306 -1.191 0.594) 1.366 4.146 ( -0.698 -3.959 -2.839) 4.921 4.193 ( 2.337 -5.427 1.813) 6.181 4.549 ( 2.109 -6.039 -0.693) 6.435 4.556 ( 1.759 -6.978 0.521) 7.215======================= Grid point 680 (227/288) =======================q-point: (-0.21 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.212 ( -0.983 2.428 0.411) 2.651 1.476 ( -0.304 1.176 -0.929) 1.530 1.518 ( -4.798 8.491 0.672) 9.776 1.585 ( -0.419 -0.918 -1.034) 1.444 1.666 ( -2.445 3.016 0.921) 3.991 1.767 ( -1.165 2.172 0.545) 2.525 1.908 ( 0.488 0.158 -0.669) 0.843 2.335 ( -1.705 2.934 -0.151) 3.397 2.638 ( 0.193 -0.557 -0.334) 0.677 3.019 ( -5.651 9.396 3.139) 11.404 3.044 ( -3.337 6.859 -0.061) 7.628 3.300 ( -1.686 2.485 -2.960) 4.216 3.419 ( -2.511 4.101 -0.791) 4.874 3.622 ( 0.357 -1.156 1.627) 2.028 3.740 ( 1.566 -4.328 3.077) 5.537 3.858 ( 4.077 -2.011 -3.141) 5.525 3.992 ( -0.723 -1.978 2.518) 3.283 4.104 ( 0.753 -3.842 -2.346) 4.564 4.197 ( 3.935 -6.344 0.583) 7.487 4.526 ( 2.674 -5.781 -0.358) 6.380 4.544 ( 3.870 -5.632 -0.028) 6.834======================= Grid point 689 (228/288) =======================q-point: ( 0.43 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.101 ( -0.000 11.161 8.693) 14.147 1.168 ( 0.000 3.592 -6.312) 7.262 1.200 ( 0.000 10.422 0.549) 10.437 1.246 ( 0.000 7.115 -1.150) 7.207 1.449 ( -0.000 -0.839 0.836) 1.185 1.555 ( 0.000 10.492 -0.865) 10.528 1.722 ( 0.000 3.810 -0.197) 3.815 2.017 ( 0.000 20.267 2.792) 20.459 2.355 ( 0.000 -2.892 -3.226) 4.333 3.061 ( -0.000 11.435 4.702) 12.364 3.292 ( 0.000 -1.597 -2.041) 2.592 3.492 ( -0.000 -6.065 -0.591) 6.094 3.734 ( -0.000 -6.959 -0.025) 6.959 3.821 ( -0.000 1.816 4.354) 4.718 3.979 ( -0.000 -5.065 -0.367) 5.079 3.994 ( -0.000 -2.675 1.755) 3.200 4.160 ( -0.000 -5.404 -1.653) 5.652 4.218 ( -0.000 -4.633 3.446) 5.774 4.543 ( 0.000 -5.688 -2.396) 6.172 4.834 ( 0.000 -2.727 -1.523) 3.123 4.884 ( -0.000 -8.234 1.323) 8.340======================= Grid point 690 (229/288) =======================q-point: ( 0.50 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.185 ( 2.175 2.779 -5.131) 6.227 1.232 ( 0.457 9.609 7.579) 12.246 1.339 ( 6.215 4.145 -1.180) 7.563 1.376 ( 4.694 8.977 1.594) 10.255 1.463 ( 1.526 1.077 0.143) 1.873 1.635 ( 0.176 4.218 -0.617) 4.266 1.758 ( 0.228 3.282 -0.082) 3.291 2.212 ( 1.872 13.166 -0.259) 13.301 2.326 ( -1.937 2.957 -0.717) 3.607 3.179 ( 1.838 7.362 1.102) 7.668 3.268 ( -0.337 -1.611 0.513) 1.724 3.443 ( 2.121 -7.311 -0.557) 7.632 3.666 ( -0.750 -4.564 0.210) 4.630 3.825 ( -0.903 -2.683 3.483) 4.489 3.893 ( -3.167 -5.121 -1.169) 6.133 3.993 ( 2.649 -4.206 0.977) 5.066 4.036 ( -2.937 -9.391 -0.217) 9.842 4.222 ( 0.098 0.612 4.047) 4.095 4.465 ( -1.289 -6.417 -1.842) 6.800 4.769 ( -2.291 -4.842 -3.498) 6.397 4.790 ( -4.324 -4.300 3.007) 6.799======================= Grid point 691 (230/288) =======================q-point: ( 0.57 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.267 ( 3.978 3.788 -1.678) 5.743 1.344 ( 1.936 6.081 4.356) 7.727 1.456 ( 3.183 0.966 -0.635) 3.387 1.521 ( 2.113 6.373 -0.422) 6.727 1.555 ( 6.265 4.441 1.205) 7.773 1.648 ( 0.606 -0.296 -0.091) 0.681 1.787 ( -0.298 2.330 -0.633) 2.433 2.284 ( 1.262 0.544 -2.445) 2.805 2.401 ( 0.298 11.202 1.603) 11.320 3.237 ( 2.156 -3.675 -0.871) 4.349 3.290 ( 1.203 4.878 1.294) 5.188 3.414 ( 1.885 -5.320 0.396) 5.658 3.627 ( -0.850 -1.005 0.788) 1.533 3.742 ( -3.930 -5.934 0.559) 7.139 3.780 ( -3.178 -4.872 -1.483) 6.004 3.891 ( -3.301 -7.267 -0.870) 8.029 4.001 ( 0.088 -1.655 2.662) 3.136 4.229 ( 0.520 -2.294 3.516) 4.230 4.376 ( -1.673 -5.538 -1.602) 6.003 4.658 ( -4.768 -5.219 1.476) 7.221 4.666 ( -5.080 -3.436 -1.670) 6.356======================= Grid point 692 (231/288) =======================q-point: ( 0.64 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.366 ( 1.975 4.588 0.297) 5.004 1.427 ( 0.264 0.919 0.977) 1.367 1.446 ( 0.312 -1.387 -0.259) 1.445 1.629 ( 3.109 4.935 0.485) 5.852 1.647 ( 1.284 2.715 -0.443) 3.036 1.716 ( 2.813 4.672 0.509) 5.477 1.803 ( 0.788 1.618 -0.586) 1.893 2.318 ( 1.426 2.453 -0.529) 2.886 2.507 ( 2.699 4.476 0.072) 5.227 3.220 ( -1.267 -0.887 -0.091) 1.549 3.341 ( 1.066 0.375 0.456) 1.219 3.412 ( -0.106 0.717 0.518) 0.890 3.583 ( -2.700 -5.498 0.294) 6.132 3.634 ( -2.289 -1.099 2.626) 3.652 3.694 ( -1.182 -3.456 -3.433) 5.013 3.785 ( -2.527 -3.156 0.120) 4.045 3.980 ( -0.226 -2.152 0.826) 2.316 4.195 ( -1.421 -4.505 1.988) 5.125 4.288 ( -3.057 -4.388 -1.134) 5.467 4.533 ( -3.717 -4.341 1.762) 5.980 4.552 ( -2.472 -5.926 -1.568) 6.609======================= Grid point 693 (232/288) =======================q-point: ( 0.71 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.332 ( -5.135 -0.776 -0.160) 5.196 1.438 ( 1.642 1.447 0.712) 2.302 1.505 ( 3.758 -0.982 -0.349) 3.899 1.677 ( -2.489 6.035 -0.686) 6.564 1.715 ( 1.549 3.710 1.228) 4.204 1.778 ( -0.125 3.359 -0.087) 3.363 1.853 ( 2.449 1.809 -0.432) 3.075 2.374 ( 0.567 5.092 -0.213) 5.128 2.584 ( 3.035 1.242 -0.141) 3.283 3.186 ( -4.197 4.099 1.024) 5.955 3.328 ( -5.429 2.788 -0.409) 6.117 3.385 ( -3.886 2.395 -0.233) 4.570 3.512 ( 0.653 -3.589 -0.116) 3.649 3.600 ( -0.756 -2.430 3.987) 4.729 3.672 ( 2.190 -2.586 -2.650) 4.302 3.747 ( -0.075 -0.357 -0.438) 0.570 3.970 ( 2.140 -3.193 -0.406) 3.865 4.105 ( -2.476 -6.082 -0.248) 6.572 4.181 ( -3.908 -4.172 0.666) 5.755 4.460 ( 0.349 -5.690 0.514) 5.723 4.466 ( 0.016 -6.500 -0.577) 6.525======================= Grid point 694 (233/288) =======================q-point: ( 0.79 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.262 ( -2.532 0.950 0.047) 2.705 1.468 ( 0.613 0.431 0.218) 0.781 1.537 ( 2.020 -2.746 -0.547) 3.452 1.690 ( -3.385 7.109 -0.115) 7.874 1.747 ( -1.829 2.825 0.812) 3.462 1.800 ( -0.232 2.426 -0.095) 2.439 1.898 ( 1.173 0.844 -0.219) 1.462 2.422 ( -2.186 6.570 -0.087) 6.925 2.631 ( 1.048 0.902 -0.420) 1.445 3.176 ( -3.686 7.159 0.773) 8.090 3.239 ( -8.500 7.468 1.205) 11.379 3.360 ( -2.349 2.516 -1.565) 3.781 3.500 ( -1.340 1.558 0.107) 2.058 3.580 ( 1.066 -3.653 1.830) 4.223 3.683 ( 1.636 -1.983 0.547) 2.628 3.767 ( 3.289 -1.162 -2.228) 4.139 3.968 ( 0.948 -3.834 0.525) 3.985 4.024 ( 1.784 -7.670 -1.001) 7.938 4.097 ( -0.398 -4.241 0.917) 4.357 4.422 ( 2.056 -5.988 -0.376) 6.342 4.427 ( 2.493 -5.936 0.069) 6.438======================= Grid point 704 (234/288) =======================q-point: ( 0.50 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.184 ( 0.000 2.743 -4.105) 4.937 1.288 ( 0.000 1.173 -0.850) 1.449 1.352 ( -0.000 8.648 7.516) 11.457 1.400 ( 0.000 4.220 1.236) 4.398 1.476 ( 0.000 5.163 -0.161) 5.165 1.656 ( 0.000 -0.347 -1.484) 1.524 1.792 ( 0.000 3.712 0.221) 3.719 2.274 ( 0.000 3.554 -3.941) 5.307 2.437 ( 0.000 12.676 3.270) 13.091 3.179 ( 0.000 -3.013 -1.272) 3.271 3.283 ( -0.000 1.533 0.736) 1.701 3.324 ( -0.000 -9.814 -1.044) 9.869 3.649 ( -0.000 -0.009 2.170) 2.170 3.806 ( -0.000 -6.452 0.294) 6.459 3.852 ( -0.000 -10.014 -0.332) 10.019 3.907 ( 0.000 -1.749 -0.735) 1.898 4.007 ( -0.000 -3.217 1.843) 3.707 4.233 ( -0.000 -0.928 4.919) 5.006 4.409 ( -0.000 -6.102 -1.418) 6.265 4.737 ( 0.000 -4.086 -1.675) 4.416 4.806 ( -0.000 -2.402 0.775) 2.523======================= Grid point 705 (235/288) =======================q-point: ( 0.57 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.225 ( 2.586 2.202 -1.559) 3.737 1.342 ( 4.877 0.612 -0.384) 4.930 1.443 ( 0.934 5.490 5.208) 7.625 1.476 ( 5.197 1.954 0.386) 5.565 1.555 ( 1.546 6.221 0.066) 6.411 1.628 ( -0.401 -2.315 -1.503) 2.789 1.821 ( -0.527 2.742 -0.155) 2.797 2.287 ( -0.523 2.030 -2.411) 3.195 2.539 ( -2.161 9.892 2.123) 10.346 3.142 ( 2.114 -6.576 -0.837) 6.958 3.264 ( 4.319 -8.102 -0.686) 9.207 3.298 ( 1.575 -1.669 -0.454) 2.340 3.666 ( -1.541 2.561 1.679) 3.428 3.690 ( 0.212 -10.464 -2.366) 10.730 3.786 ( -1.696 -3.951 1.911) 4.705 3.866 ( -2.601 -2.351 -2.004) 4.039 4.002 ( 0.761 -0.268 2.528) 2.653 4.217 ( -0.786 -2.525 4.631) 5.333 4.342 ( -1.269 -4.802 -1.269) 5.127 4.677 ( -2.981 -2.749 -0.457) 4.080 4.742 ( -4.631 -2.494 -0.163) 5.262======================= Grid point 706 (236/288) =======================q-point: ( 0.64 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.299 ( 4.537 -0.539 -0.314) 4.580 1.421 ( 2.028 1.085 -0.479) 2.349 1.511 ( -1.198 4.231 2.327) 4.975 1.564 ( 4.397 -2.418 0.480) 5.041 1.618 ( 5.078 3.822 -1.274) 6.482 1.684 ( 4.207 3.331 0.545) 5.394 1.831 ( -0.875 2.416 -0.286) 2.586 2.304 ( 1.289 1.534 -0.470) 2.058 2.571 ( -2.606 5.464 0.506) 6.075 3.138 ( 4.761 -5.349 -1.357) 7.288 3.281 ( 6.409 -7.625 -0.379) 9.968 3.329 ( 3.222 -0.800 1.059) 3.485 3.582 ( -0.264 -7.382 -1.594) 7.557 3.681 ( -2.323 2.875 0.035) 3.697 3.707 ( -4.177 -1.914 1.942) 4.988 3.789 ( -2.426 -2.298 -2.431) 4.132 4.006 ( -1.623 0.736 1.973) 2.658 4.176 ( -1.412 -3.766 3.708) 5.470 4.268 ( -1.645 -4.538 -1.489) 5.052 4.579 ( -5.199 -2.568 0.193) 5.802 4.610 ( -7.191 -2.677 -0.442) 7.686======================= Grid point 707 (237/288) =======================q-point: ( 0.71 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.333 ( 1.847 -4.773 -0.445) 5.137 1.441 ( 0.205 2.004 -0.507) 2.077 1.501 ( -2.373 2.780 1.300) 3.879 1.673 ( 6.396 0.999 0.617) 6.503 1.722 ( 2.262 3.290 -1.231) 4.178 1.776 ( 3.144 1.403 0.547) 3.486 1.852 ( 0.389 3.024 -0.118) 3.051 2.373 ( 4.194 3.026 0.171) 5.175 2.584 ( -0.436 3.202 -0.021) 3.231 3.192 ( 5.318 -1.433 -1.048) 5.607 3.326 ( 4.632 -2.840 0.615) 5.469 3.383 ( 4.775 -2.845 0.514) 5.582 3.512 ( -3.530 -1.136 0.003) 3.708 3.618 ( -2.241 -2.522 -2.254) 4.057 3.659 ( -3.017 1.615 1.494) 3.734 3.747 ( -0.523 -0.574 -0.643) 1.008 3.966 ( -3.582 0.237 0.924) 3.707 4.099 ( -3.256 -5.303 1.770) 6.469 4.186 ( -2.127 -5.282 -1.126) 5.805 4.460 ( -5.060 -3.007 0.418) 5.901 4.465 ( -5.697 -2.861 -0.338) 6.384======================= Grid point 708 (238/288) =======================q-point: ( 0.79 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.296 ( -1.051 -1.820 -0.000) 2.101 1.466 ( 0.480 0.831 -0.000) 0.959 1.495 ( -0.092 -0.159 0.000) 0.184 1.757 ( 1.013 1.755 -0.000) 2.027 1.770 ( 1.096 1.898 0.000) 2.191 1.824 ( 1.198 2.075 -0.000) 2.396 1.888 ( 0.701 1.214 -0.000) 1.402 2.489 ( 3.259 5.645 -0.000) 6.519 2.620 ( 1.088 1.884 -0.000) 2.175 3.268 ( 1.855 3.212 -0.000) 3.709 3.372 ( 0.970 1.680 -0.000) 1.940 3.437 ( -0.454 -0.786 0.000) 0.907 3.438 ( 0.307 0.532 -0.000) 0.615 3.572 ( -0.657 -1.139 -0.000) 1.315 3.649 ( 0.207 0.359 -0.000) 0.415 3.739 ( -0.286 -0.496 0.000) 0.573 3.910 ( -1.348 -2.335 0.000) 2.696 3.972 ( -3.772 -6.533 -0.000) 7.543 4.092 ( -2.640 -4.572 0.000) 5.280 4.367 ( -1.906 -3.302 0.000) 3.812 4.370 ( -1.843 -3.191 0.000) 3.685======================= Grid point 720 (239/288) =======================q-point: ( 0.57 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.225 ( 0.000 1.438 -0.183) 1.449 1.278 ( -0.000 -1.448 -0.111) 1.453 1.445 ( 0.000 1.477 0.414) 1.534 1.480 ( -0.000 1.039 2.475) 2.684 1.600 ( 0.000 5.648 -0.174) 5.651 1.622 ( 0.000 0.680 -0.556) 0.878 1.850 ( 0.000 2.003 -0.018) 2.004 2.309 ( 0.000 1.400 -1.538) 2.080 2.645 ( 0.000 6.034 1.579) 6.237 3.044 ( -0.000 -8.467 -1.568) 8.611 3.125 ( -0.000 -9.545 -0.428) 9.554 3.259 ( -0.000 -2.823 0.375) 2.848 3.552 ( -0.000 -11.810 -3.290) 12.260 3.742 ( 0.000 6.188 1.799) 6.444 3.754 ( -0.000 -4.702 0.446) 4.723 3.903 ( 0.000 1.313 -0.556) 1.426 3.979 ( -0.000 -0.917 1.188) 1.501 4.211 ( -0.000 -2.308 4.438) 5.002 4.320 ( 0.000 -2.071 -1.003) 2.301 4.685 ( -0.000 -1.504 0.533) 1.596 4.756 ( -0.000 -2.709 -0.825) 2.831======================= Grid point 721 (240/288) =======================q-point: ( 0.64 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.234 ( 1.657 -1.566 0.297) 2.299 1.341 ( 7.342 -0.497 -0.256) 7.363 1.474 ( 0.832 -0.925 -0.283) 1.276 1.516 ( 4.822 1.260 0.730) 5.037 1.624 ( -1.665 2.967 0.604) 3.456 1.669 ( 2.094 3.949 -0.179) 4.473 1.864 ( -0.420 1.872 0.246) 1.934 2.309 ( -0.403 0.406 -0.411) 0.705 2.661 ( -2.594 2.248 0.510) 3.470 2.994 ( 4.067 -6.891 -2.520) 8.389 3.081 ( 5.273 -8.602 -0.317) 10.095 3.263 ( 2.920 -2.164 2.524) 4.425 3.466 ( 2.253 -8.183 -1.975) 8.714 3.702 ( -0.775 -3.867 -0.972) 4.062 3.785 ( -1.769 4.799 0.786) 5.175 3.854 ( -5.514 0.960 -0.810) 5.655 4.009 ( 1.965 0.153 0.657) 2.078 4.184 ( -1.536 -2.092 3.844) 4.638 4.283 ( -2.893 -0.542 -0.952) 3.093 4.642 ( -3.577 -1.335 0.958) 3.936 4.687 ( -4.489 -2.619 -0.979) 5.289======================= Grid point 722 (241/288) =======================q-point: ( 0.71 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.248 ( 2.601 -3.260 -0.294) 4.181 1.450 ( 1.357 1.844 -0.169) 2.296 1.527 ( 9.079 -1.003 -0.183) 9.136 1.578 ( -1.515 1.429 1.246) 2.427 1.664 ( 5.042 1.265 -0.589) 5.231 1.743 ( 2.629 2.350 -0.088) 3.527 1.878 ( -0.194 2.113 0.384) 2.156 2.327 ( 2.627 0.747 0.168) 2.737 2.631 ( -1.995 1.070 0.139) 2.268 3.045 ( 7.760 -2.800 -1.953) 8.478 3.127 ( 8.862 -6.847 -0.764) 11.225 3.308 ( 3.504 -1.484 2.541) 4.575 3.459 ( 4.003 -4.119 -0.202) 5.747 3.650 ( -1.855 -1.908 -1.597) 3.103 3.756 ( -5.825 0.326 -1.779) 6.099 3.785 ( -2.995 3.510 1.507) 4.854 4.020 ( -0.995 -0.281 -0.271) 1.069 4.129 ( -3.198 -2.304 3.413) 5.213 4.202 ( -5.318 -1.155 -1.467) 5.636 4.545 ( -6.156 -1.382 0.913) 6.375 4.560 ( -7.066 -1.882 -0.729) 7.348======================= Grid point 736 (242/288) =======================q-point: ( 0.64 0.64 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.206 ( -0.000 -3.056 0.235) 3.065 1.245 ( 0.000 -1.459 -0.752) 1.641 1.472 ( -0.000 0.910 1.162) 1.476 1.484 ( 0.000 1.317 -0.334) 1.358 1.664 ( 0.000 1.508 0.487) 1.585 1.683 ( 0.000 2.884 -0.560) 2.938 1.886 ( -0.000 1.820 0.776) 1.978 2.312 ( -0.000 -0.604 0.044) 0.606 2.692 ( 0.000 -0.469 -0.219) 0.518 2.878 ( 0.000 -6.354 -4.145) 7.586 2.962 ( -0.000 -6.533 0.575) 6.558 3.220 ( -0.000 -1.675 4.824) 5.107 3.376 ( -0.000 -4.981 -1.537) 5.213 3.666 ( 0.000 -3.502 -1.380) 3.764 3.839 ( 0.000 3.017 -2.599) 3.982 3.943 ( -0.000 2.185 1.442) 2.618 3.970 ( 0.000 -0.302 -0.255) 0.395 4.188 ( -0.000 -1.328 2.780) 3.081 4.318 ( 0.000 1.414 -0.108) 1.418 4.664 ( -0.000 -1.056 1.135) 1.550 4.700 ( 0.000 -2.335 -0.959) 2.524======================= Grid point 738 (243/288) =======================q-point: (-0.29 -0.36 -0.79)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.186 ( 1.388 -1.973 -0.625) 2.492 1.319 ( 9.240 -0.892 -0.636) 9.305 1.488 ( -0.393 1.586 0.416) 1.686 1.532 ( 4.482 -0.022 1.309) 4.669 1.662 ( -1.161 0.452 -0.148) 1.255 1.722 ( 1.919 1.434 -0.662) 2.486 1.901 ( -0.316 1.417 0.868) 1.691 2.306 ( 0.288 -0.240 0.354) 0.515 2.664 ( -1.696 -0.862 -0.416) 1.948 2.881 ( 6.654 -2.854 -4.106) 8.323 2.953 ( 4.704 -3.690 0.552) 6.004 3.247 ( 2.779 -0.711 5.008) 5.771 3.362 ( 2.714 -2.178 -0.428) 3.506 3.637 ( 0.102 -1.699 -1.557) 2.307 3.826 ( -3.021 0.229 -4.311) 5.269 3.897 ( -4.456 2.353 2.321) 5.548 4.007 ( 1.357 -0.481 -0.762) 1.628 4.162 ( -2.046 -1.301 2.239) 3.300 4.296 ( -4.184 1.038 0.049) 4.311 4.623 ( -3.795 -0.960 0.850) 4.006 4.643 ( -4.173 -1.047 -0.548) 4.337======================= Grid point 753 (244/288) =======================q-point: (-0.29 -0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.160 ( 0.000 -0.329 -1.063) 1.112 1.224 ( 0.000 -0.055 -1.261) 1.262 1.486 ( -0.000 -0.064 1.696) 1.697 1.513 ( -0.000 0.501 1.266) 1.361 1.670 ( 0.000 -0.691 -0.393) 0.795 1.710 ( 0.000 0.048 -0.772) 0.773 1.916 ( -0.000 0.371 1.018) 1.084 2.308 ( -0.000 0.612 0.831) 1.032 2.669 ( 0.000 -0.889 -1.104) 1.417 2.792 ( 0.000 -0.164 -5.022) 5.025 2.896 ( -0.000 0.096 1.068) 1.072 3.233 ( -0.000 0.704 6.819) 6.855 3.328 ( 0.000 0.195 -0.872) 0.894 3.623 ( 0.000 0.016 -1.758) 1.758 3.842 ( 0.000 -1.173 -4.319) 4.476 3.964 ( 0.000 -0.010 -1.120) 1.120 3.978 ( -0.000 0.384 1.744) 1.786 4.172 ( -0.000 -1.259 1.744) 2.151 4.340 ( -0.000 0.005 0.411) 0.411 4.650 ( -0.000 -0.645 0.490) 0.810 4.676 ( 0.000 0.595 -0.137) 0.611======================= Grid point 860 (245/288) =======================q-point: ( 0.29 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.361 ( -0.000 0.000 12.293) 12.293 0.361 ( -0.000 0.000 12.293) 12.293 0.453 ( -0.000 0.000 21.858) 21.858 0.915 ( 0.000 -0.000 -3.713) 3.713 0.915 ( 0.000 -0.000 -3.713) 3.713 1.452 ( 0.000 -0.000 -9.157) 9.157 1.509 ( -0.000 0.000 0.499) 0.499 1.509 ( -0.000 0.000 0.499) 0.499 2.541 ( -0.000 0.000 12.720) 12.720 2.541 ( -0.000 0.000 12.720) 12.720 2.583 ( 0.000 -0.000 -0.661) 0.661 3.341 ( 0.000 -0.000 -7.584) 7.584 3.341 ( 0.000 -0.000 -7.584) 7.584 4.034 ( 0.000 -0.000 -0.020) 0.020 4.034 ( 0.000 -0.000 -0.020) 0.020 4.193 ( -0.000 0.000 0.363) 0.363 4.193 ( -0.000 0.000 0.363) 0.363 4.426 ( -0.000 0.000 8.173) 8.173 4.660 ( -0.000 0.000 2.953) 2.953 5.032 ( -0.000 0.000 1.208) 1.208 5.262 ( -0.000 0.000 0.702) 0.702======================= Grid point 861 (246/288) =======================q-point: ( 0.36 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.539 ( 8.105 4.679 16.870) 19.292 0.590 ( 14.087 8.133 6.625) 17.564 0.742 ( 19.683 11.364 5.167) 23.308 0.956 ( 4.573 2.640 -3.079) 6.113 1.041 ( 9.411 5.433 -4.000) 11.579 1.457 ( 3.383 1.953 -5.938) 7.108 1.508 ( -0.432 -0.249 0.257) 0.561 1.539 ( 2.838 1.638 -0.441) 3.306 2.539 ( -3.141 -1.814 -1.747) 4.026 2.627 ( 5.235 3.022 11.817) 13.273 3.222 ( 33.620 19.411 -17.809) 42.711 3.324 ( -0.042 -0.024 -7.011) 7.011 3.436 ( 6.813 3.934 -3.130) 8.467 4.002 ( -3.227 -1.863 -0.450) 3.753 4.024 ( -0.491 -0.283 1.085) 1.224 4.159 ( -2.688 -1.552 0.516) 3.146 4.187 ( -0.780 -0.451 -0.045) 0.902 4.452 ( 0.083 0.048 4.938) 4.939 4.626 ( -3.097 -1.788 1.826) 4.015 4.994 ( -3.425 -1.977 1.441) 4.209 5.212 ( -4.230 -2.442 -0.197) 4.889======================= Grid point 862 (247/288) =======================q-point: ( 0.43 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.773 ( 9.272 5.353 12.587) 16.524 0.921 ( 13.123 7.577 3.254) 15.499 1.092 ( 7.225 4.171 -2.194) 8.626 1.127 ( 10.931 6.311 -6.518) 14.205 1.288 ( 13.465 7.774 -0.843) 15.571 1.490 ( -1.149 -0.664 0.033) 1.328 1.605 ( 6.029 3.481 2.834) 7.516 1.660 ( 11.642 6.721 -2.545) 13.682 2.446 ( -4.259 -2.459 -2.739) 5.629 2.808 ( 8.506 4.911 9.407) 13.600 3.318 ( 0.594 0.343 -5.333) 5.377 3.530 ( 0.528 0.305 0.677) 0.911 3.740 ( 15.054 8.691 -8.181) 19.212 3.891 ( -6.161 -3.557 -0.718) 7.151 4.006 ( -1.955 -1.129 4.200) 4.768 4.078 ( -4.286 -2.475 0.347) 4.962 4.166 ( -0.684 -0.395 -0.595) 0.989 4.410 ( -4.138 -2.389 -0.614) 4.818 4.552 ( -3.190 -1.842 1.804) 4.102 4.890 ( -5.632 -3.252 1.969) 6.795 5.084 ( -6.444 -3.720 -1.146) 7.529======================= Grid point 863 (248/288) =======================q-point: ( 0.50 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.980 ( 7.132 4.117 7.104) 10.876 1.170 ( 7.749 4.474 1.691) 9.106 1.266 ( 8.249 4.762 -1.566) 9.653 1.294 ( 6.884 3.974 -5.494) 9.662 1.460 ( -1.322 -0.763 0.136) 1.533 1.564 ( 8.856 5.113 -1.197) 10.295 1.713 ( 3.943 2.277 0.459) 4.576 2.000 ( 14.443 8.339 3.526) 17.046 2.371 ( -0.314 -0.181 -3.959) 3.976 3.022 ( 8.315 4.801 6.157) 11.406 3.322 ( -0.198 -0.114 -2.909) 2.918 3.469 ( -5.448 -3.146 1.022) 6.374 3.742 ( -5.868 -3.388 -0.558) 6.799 3.888 ( -1.562 -0.902 1.101) 2.113 3.939 ( -4.036 -2.330 4.773) 6.671 3.977 ( -4.245 -2.451 -0.222) 4.906 4.137 ( -2.938 -1.696 -1.201) 3.598 4.333 ( -0.548 -0.317 -3.826) 3.878 4.476 ( -4.081 -2.356 1.491) 4.942 4.766 ( -5.021 -2.899 2.803) 6.440 4.937 ( -5.829 -3.365 -1.530) 6.902======================= Grid point 864 (249/288) =======================q-point: ( 0.57 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.131 ( 5.510 3.181 2.090) 6.697 1.281 ( 2.011 1.161 -0.107) 2.324 1.413 ( 2.293 1.324 -0.068) 2.649 1.435 ( 5.462 3.154 -1.851) 6.574 1.473 ( 4.873 2.813 0.173) 5.629 1.645 ( -1.236 -0.713 -0.121) 1.432 1.794 ( 3.275 1.891 -0.078) 3.782 2.224 ( 5.135 2.965 1.552) 6.130 2.484 ( 9.259 5.345 -2.057) 10.887 3.154 ( 0.081 0.047 1.405) 1.408 3.277 ( -2.019 -1.166 1.164) 2.606 3.310 ( -8.084 -4.668 0.468) 9.347 3.677 ( 0.814 0.470 -0.547) 1.088 3.731 ( -10.185 -5.880 6.174) 13.283 3.855 ( -4.518 -2.608 0.813) 5.280 3.904 ( -1.682 -0.971 -0.493) 2.004 4.054 ( -3.044 -1.758 -2.779) 4.481 4.317 ( -1.547 -0.893 -2.681) 3.222 4.374 ( -4.720 -2.725 1.227) 5.587 4.698 ( -1.271 -0.734 2.033) 2.508 4.824 ( -3.921 -2.264 -0.702) 4.582======================= Grid point 865 (250/288) =======================q-point: ( 0.64 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.231 ( 2.412 1.393 -1.304) 3.076 1.277 ( -1.516 -0.875 0.017) 1.751 1.449 ( 1.630 0.941 -0.238) 1.897 1.481 ( -1.629 -0.940 2.104) 2.822 1.597 ( 4.711 2.720 0.264) 5.446 1.625 ( 1.701 0.982 -0.852) 2.141 1.853 ( 2.006 1.158 -0.631) 2.401 2.302 ( 1.861 1.075 -0.301) 2.170 2.653 ( 4.457 2.573 0.105) 5.148 3.020 ( -8.485 -4.899 2.374) 10.081 3.124 ( -7.881 -4.550 -0.190) 9.102 3.274 ( -0.259 -0.149 -2.103) 2.124 3.511 ( -8.923 -5.152 3.675) 10.939 3.744 ( 3.824 2.208 1.560) 4.683 3.747 ( -4.782 -2.761 1.528) 5.729 3.905 ( 1.634 0.944 -0.865) 2.076 3.997 ( -1.674 -0.967 -1.669) 2.554 4.256 ( -2.918 -1.685 -3.461) 4.830 4.303 ( -1.007 -0.582 2.060) 2.366 4.688 ( -0.383 -0.221 -0.058) 0.446 4.748 ( -2.854 -1.648 0.529) 3.337======================= Grid point 866 (251/288) =======================q-point: ( 0.71 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.208 ( -3.150 -1.819 -0.281) 3.648 1.240 ( -1.436 -0.829 0.863) 1.869 1.479 ( 0.977 0.564 -1.282) 1.708 1.482 ( 1.713 0.989 0.583) 2.062 1.666 ( 1.095 0.632 -0.202) 1.281 1.680 ( 2.430 1.403 0.651) 2.880 1.892 ( 1.638 0.946 -1.172) 2.225 2.314 ( -0.391 -0.225 -0.547) 0.709 2.689 ( -0.588 -0.339 0.880) 1.112 2.854 ( -5.841 -3.372 4.292) 7.994 2.966 ( -5.501 -3.176 -0.807) 6.403 3.249 ( -0.841 -0.486 -5.593) 5.677 3.367 ( -3.959 -2.286 1.543) 4.825 3.656 ( -3.099 -1.789 1.881) 4.043 3.821 ( 2.099 1.212 3.733) 4.451 3.951 ( 2.109 1.218 -1.670) 2.953 3.969 ( -0.644 -0.372 -0.037) 0.745 4.201 ( -1.424 -0.822 -1.917) 2.526 4.318 ( 1.478 0.853 0.018) 1.707 4.671 ( -0.938 -0.542 -1.202) 1.618 4.694 ( -1.910 -1.103 1.056) 2.446======================= Grid point 875 (252/288) =======================q-point: ( 0.36 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.580 ( -0.000 10.686 16.188) 19.396 0.597 ( -0.000 15.956 5.966) 17.035 0.745 ( 0.000 20.382 4.372) 20.846 0.971 ( 0.000 5.959 -3.494) 6.908 1.023 ( 0.000 11.587 -2.989) 11.967 1.436 ( 0.000 3.397 -6.531) 7.362 1.497 ( -0.000 -0.991 0.710) 1.219 1.549 ( 0.000 3.459 -0.283) 3.470 2.537 ( 0.000 -3.666 -1.706) 4.044 2.647 ( -0.000 6.080 11.403) 12.922 3.169 ( 0.000 34.868 -12.638) 37.088 3.317 ( 0.000 0.126 -7.186) 7.188 3.433 ( 0.000 9.569 -3.462) 10.176 3.986 ( -0.000 -4.257 0.253) 4.265 4.040 ( -0.000 -0.069 0.356) 0.363 4.169 ( -0.000 -2.831 0.082) 2.832 4.175 ( -0.000 -1.461 0.573) 1.570 4.476 ( -0.000 0.730 5.969) 6.014 4.632 ( -0.000 -2.731 0.071) 2.732 4.998 ( -0.000 -3.743 1.465) 4.020 5.209 ( -0.000 -5.338 -0.694) 5.383======================= Grid point 876 (253/288) =======================q-point: ( 0.43 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.761 ( 4.339 10.944 13.991) 18.285 0.858 ( 8.447 14.796 3.571) 17.407 1.011 ( 7.926 10.396 -5.341) 14.122 1.063 ( 4.087 8.906 -2.781) 10.186 1.210 ( 6.824 12.497 -1.115) 14.283 1.492 ( 0.218 -0.989 0.544) 1.149 1.547 ( 6.722 9.894 -0.689) 11.981 1.602 ( 2.133 4.515 -1.165) 5.127 2.468 ( -2.602 -4.360 -2.317) 5.581 2.777 ( 4.340 7.982 9.415) 13.084 3.299 ( 0.062 0.202 -5.693) 5.697 3.526 ( 3.343 4.664 0.124) 5.740 3.596 ( 11.811 17.645 -8.314) 22.803 3.919 ( -2.391 -5.637 -0.436) 6.139 4.027 ( -1.201 -0.796 2.296) 2.711 4.112 ( -2.485 -3.339 0.687) 4.219 4.160 ( -0.182 -1.656 -0.454) 1.727 4.444 ( -3.127 -4.356 2.318) 5.842 4.589 ( -2.225 -1.081 -0.396) 2.505 4.930 ( -3.136 -4.748 1.676) 5.932 5.113 ( -3.409 -7.058 -1.245) 7.936======================= Grid point 877 (254/288) =======================q-point: ( 0.50 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.960 ( 4.261 8.625 9.591) 13.584 1.121 ( 6.534 9.231 1.106) 11.363 1.188 ( 7.809 6.897 -4.065) 11.183 1.236 ( 5.045 7.849 -3.791) 10.071 1.451 ( 5.473 4.568 -0.970) 7.194 1.496 ( 2.600 4.218 0.091) 4.956 1.676 ( 3.164 3.276 0.567) 4.590 1.862 ( 13.095 13.000 1.792) 18.539 2.372 ( -2.498 -3.681 -2.935) 5.330 2.968 ( 6.393 7.913 6.719) 12.192 3.301 ( 0.994 -0.299 -3.749) 3.890 3.534 ( -3.249 -0.690 1.060) 3.487 3.792 ( -4.403 -5.101 -1.036) 6.817 3.863 ( 4.400 3.213 -1.307) 5.603 3.974 ( -3.081 -4.044 2.630) 5.724 4.037 ( -3.828 -1.502 3.380) 5.323 4.149 ( -0.054 -0.860 -1.040) 1.350 4.323 ( -2.612 -5.496 -2.808) 6.702 4.529 ( -3.754 -1.579 0.875) 4.166 4.816 ( -4.657 -4.774 2.580) 7.151 4.967 ( -4.380 -7.290 -1.938) 8.722======================= Grid point 878 (255/288) =======================q-point: ( 0.57 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.107 ( 3.246 6.214 4.301) 8.225 1.281 ( 3.527 5.661 0.392) 6.681 1.365 ( 5.419 5.134 -2.942) 8.024 1.400 ( 5.121 8.494 -1.131) 9.982 1.462 ( -0.435 1.192 0.256) 1.294 1.636 ( 2.672 1.965 -0.480) 3.351 1.756 ( 3.035 1.852 0.093) 3.556 2.168 ( 7.092 6.630 3.285) 10.249 2.365 ( 6.851 1.449 -3.711) 7.925 3.145 ( 4.007 5.403 3.762) 7.707 3.292 ( -1.106 -1.538 -1.220) 2.253 3.430 ( -7.383 -1.290 0.787) 7.536 3.675 ( -2.537 -2.837 -0.596) 3.853 3.838 ( -5.784 -4.687 3.892) 8.400 3.880 ( -1.947 -4.553 -0.848) 5.024 3.938 ( -6.024 -2.650 3.794) 7.597 4.084 ( -2.908 -2.456 -3.284) 5.027 4.300 ( 1.421 -1.455 -3.363) 3.930 4.431 ( -4.944 -2.956 1.029) 5.852 4.709 ( -2.649 -4.039 3.344) 5.875 4.833 ( -2.642 -6.294 -1.861) 7.075======================= Grid point 879 (256/288) =======================q-point: ( 0.64 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.213 ( 2.139 4.424 0.438) 4.934 1.337 ( -2.018 4.209 0.518) 4.697 1.475 ( -0.238 5.000 0.520) 5.032 1.483 ( 2.750 2.567 -1.634) 4.101 1.558 ( 4.171 4.691 -0.449) 6.293 1.617 ( -1.879 -1.340 0.438) 2.349 1.821 ( 2.799 0.838 -0.133) 2.925 2.271 ( 2.738 1.552 0.448) 3.179 2.556 ( 9.059 2.223 -0.901) 9.371 3.131 ( -7.245 -1.767 1.106) 7.539 3.256 ( -8.561 -0.073 0.617) 8.583 3.295 ( -1.967 1.363 0.163) 2.399 3.639 ( -8.753 -4.722 4.418) 10.882 3.685 ( 2.260 -0.236 0.378) 2.303 3.804 ( -3.475 -2.777 -0.740) 4.510 3.849 ( 0.588 -4.246 0.450) 4.311 4.030 ( -1.669 0.058 -2.211) 2.771 4.267 ( -1.613 -2.615 -3.723) 4.827 4.322 ( -3.657 -3.294 1.948) 5.293 4.665 ( 0.689 -3.359 1.354) 3.687 4.744 ( -0.976 -5.568 -0.387) 5.666======================= Grid point 880 (257/288) =======================q-point: ( 0.71 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.236 ( -2.322 0.433 -0.638) 2.446 1.340 ( -3.929 6.106 0.121) 7.262 1.471 ( -1.434 0.147 1.025) 1.769 1.518 ( -1.167 5.008 -0.212) 5.146 1.628 ( 3.413 -0.070 -0.658) 3.476 1.668 ( 2.221 3.795 0.284) 4.407 1.867 ( 2.002 0.610 -0.718) 2.212 2.308 ( 0.672 0.009 -0.152) 0.689 2.662 ( 3.030 -1.255 0.092) 3.281 2.979 ( -8.543 0.147 2.830) 9.001 3.080 ( -9.833 0.151 0.069) 9.835 3.279 ( -2.498 1.610 -3.189) 4.359 3.455 ( -7.790 -1.586 2.022) 8.203 3.695 ( -2.813 -2.727 1.702) 4.271 3.781 ( 3.435 0.494 2.034) 4.023 3.856 ( 4.356 -4.103 -1.650) 6.207 4.012 ( -1.244 1.512 -0.489) 2.018 4.203 ( -1.491 -2.513 -3.242) 4.364 4.277 ( 1.487 -2.769 1.234) 3.376 4.647 ( 0.896 -3.707 -0.791) 3.895 4.682 ( -0.145 -5.179 0.889) 5.257======================= Grid point 890 (258/288) =======================q-point: ( 0.43 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.874 ( -0.000 12.833 12.585) 17.974 0.934 ( 0.000 15.599 2.385) 15.781 1.049 ( 0.000 9.021 -7.908) 11.996 1.100 ( 0.000 7.623 -2.809) 8.124 1.292 ( 0.000 14.901 -0.889) 14.927 1.476 ( -0.000 -1.387 0.965) 1.690 1.621 ( 0.000 14.810 2.134) 14.963 1.635 ( 0.000 7.440 -1.619) 7.615 2.438 ( 0.000 -5.173 -2.356) 5.684 2.849 ( -0.000 10.319 7.623) 12.830 3.297 ( 0.000 0.102 -4.883) 4.884 3.536 ( 0.000 2.852 0.433) 2.884 3.662 ( 0.000 15.959 -2.389) 16.137 3.875 ( -0.000 -6.809 0.327) 6.816 4.033 ( -0.000 -1.053 1.869) 2.146 4.087 ( -0.000 -5.240 -0.204) 5.244 4.154 ( -0.000 -0.268 0.436) 0.512 4.412 ( -0.000 -8.676 1.551) 8.814 4.599 ( 0.000 -0.783 -2.624) 2.738 4.911 ( -0.000 -5.007 1.052) 5.116 5.061 ( -0.000 -8.748 -0.714) 8.777======================= Grid point 891 (259/288) =======================q-point: ( 0.50 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.034 ( 1.422 11.540 10.023) 15.351 1.106 ( 2.341 4.423 -7.168) 8.742 1.150 ( 6.766 12.787 1.512) 14.545 1.227 ( 5.047 7.602 -2.740) 9.528 1.446 ( 1.441 6.733 -0.437) 6.899 1.490 ( 2.804 4.070 0.720) 4.995 1.683 ( 0.708 4.352 -0.300) 4.419 1.863 ( 5.237 19.030 1.795) 19.819 2.365 ( -1.956 -4.556 -2.336) 5.481 2.991 ( 2.806 10.337 4.930) 11.791 3.286 ( -0.174 -0.075 -2.740) 2.747 3.545 ( 0.446 -2.560 -0.022) 2.599 3.786 ( -1.806 -6.092 -0.484) 6.373 3.828 ( 3.512 4.536 2.349) 6.199 3.988 ( -2.808 -4.307 0.646) 5.182 4.050 ( 0.655 -2.768 2.368) 3.701 4.151 ( -0.838 1.006 -0.617) 1.448 4.292 ( -2.429 -9.593 0.199) 9.898 4.559 ( -1.974 -2.864 -2.228) 4.131 4.839 ( -2.878 -4.381 0.609) 5.277 4.945 ( -2.942 -8.875 -0.402) 9.359======================= Grid point 892 (260/288) =======================q-point: ( 0.57 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.152 ( 0.996 7.454 3.575) 8.327 1.232 ( 6.177 5.385 -1.570) 8.344 1.371 ( 3.917 9.005 1.104) 9.881 1.387 ( 6.047 7.435 -1.671) 9.728 1.476 ( 0.831 1.474 0.089) 1.694 1.615 ( 2.837 4.468 -0.031) 5.292 1.737 ( 1.398 2.723 -0.183) 3.067 2.147 ( 7.125 14.208 1.838) 16.000 2.296 ( -0.404 -2.379 -2.496) 3.472 3.151 ( 3.779 8.282 2.929) 9.563 3.281 ( 0.327 -0.893 -1.433) 1.720 3.500 ( -2.318 -3.198 0.759) 4.022 3.686 ( -2.424 -4.596 -1.058) 5.303 3.848 ( -1.503 -4.023 1.474) 4.540 3.881 ( -3.730 -5.337 0.044) 6.511 4.019 ( -4.344 -3.299 6.043) 8.141 4.080 ( -1.901 -6.235 -4.309) 7.813 4.247 ( 2.256 -0.063 0.180) 2.264 4.473 ( -3.365 -4.198 -1.000) 5.472 4.735 ( -4.476 -4.139 2.177) 6.473 4.801 ( -3.120 -8.236 -1.691) 8.968======================= Grid point 893 (261/288) =======================q-point: ( 0.64 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.248 ( 1.018 6.683 1.818) 7.001 1.372 ( 4.157 3.674 -0.650) 5.586 1.457 ( 0.476 2.841 -0.781) 2.985 1.516 ( 3.300 4.854 0.547) 5.895 1.566 ( 1.946 7.608 -0.669) 7.881 1.647 ( -1.108 0.357 0.160) 1.175 1.783 ( 2.117 0.846 0.051) 2.281 2.267 ( 0.039 2.950 0.528) 2.997 2.416 ( 9.497 4.412 -1.012) 10.521 3.227 ( -3.978 0.796 0.933) 4.163 3.296 ( 2.551 2.976 0.243) 3.927 3.412 ( -5.869 -0.760 0.570) 5.945 3.633 ( 0.163 -1.388 0.056) 1.399 3.739 ( -4.787 -6.485 1.322) 8.168 3.774 ( -2.054 -5.137 -0.609) 5.565 3.872 ( -5.362 -4.943 2.164) 7.607 4.028 ( -0.196 -2.275 -2.046) 3.066 4.259 ( -0.716 -1.979 -1.081) 2.366 4.365 ( -4.359 -3.773 -0.131) 5.767 4.631 ( -2.162 -4.914 3.033) 6.166 4.686 ( -0.863 -7.517 -2.022) 7.832======================= Grid point 894 (262/288) =======================q-point: ( 0.71 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.298 ( -2.473 3.701 -0.114) 4.453 1.416 ( -0.306 2.203 1.393) 2.624 1.522 ( 4.473 0.564 -1.783) 4.848 1.567 ( -4.754 2.774 -0.638) 5.541 1.610 ( 0.878 6.285 1.289) 6.475 1.686 ( 0.814 5.472 -0.271) 5.539 1.831 ( 2.674 0.489 -0.127) 2.721 2.303 ( 0.762 2.152 -0.079) 2.284 2.573 ( 5.990 0.228 -0.255) 6.000 3.130 ( -7.268 1.448 1.439) 7.549 3.279 ( -10.173 1.929 0.313) 10.359 3.334 ( -1.613 2.510 -0.966) 3.136 3.572 ( -6.447 -3.218 1.862) 7.442 3.670 ( 2.121 -2.302 3.001) 4.336 3.727 ( 2.840 -3.652 -4.367) 6.362 3.776 ( -1.632 -2.943 2.083) 3.957 4.016 ( 1.127 -1.297 -1.431) 2.236 4.194 ( -2.134 -3.514 -2.941) 5.055 4.259 ( -3.332 -3.668 1.607) 5.209 4.578 ( 1.023 -5.652 0.634) 5.779 4.609 ( 0.766 -7.560 -0.242) 7.603======================= Grid point 906 (263/288) =======================q-point: ( 0.50 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.107 ( 0.000 4.880 -6.432) 8.074 1.172 ( -0.000 10.038 7.868) 12.754 1.199 ( 0.000 8.934 -1.039) 8.995 1.244 ( 0.000 8.761 0.428) 8.772 1.454 ( -0.000 -0.999 0.739) 1.242 1.553 ( 0.000 10.457 -0.099) 10.457 1.721 ( 0.000 3.967 -0.421) 3.989 2.027 ( 0.000 19.700 1.061) 19.728 2.342 ( 0.000 -2.545 -1.380) 2.895 3.079 ( 0.000 9.998 1.368) 10.091 3.285 ( 0.000 -0.391 -0.144) 0.417 3.488 ( -0.000 -6.259 -0.967) 6.333 3.734 ( -0.000 -6.891 0.224) 6.895 3.846 ( -0.000 2.185 4.573) 5.068 3.978 ( -0.000 -5.133 -0.281) 5.140 4.000 ( -0.000 -3.466 0.308) 3.480 4.148 ( 0.000 -6.336 -2.400) 6.775 4.240 ( -0.000 -2.701 4.894) 5.590 4.528 ( 0.000 -5.321 -3.093) 6.155 4.820 ( 0.000 -4.263 -3.053) 5.243 4.895 ( -0.000 -7.027 2.507) 7.460======================= Grid point 907 (264/288) =======================q-point: ( 0.57 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.157 ( 2.810 3.659 -4.943) 6.762 1.267 ( 0.659 8.255 4.531) 9.440 1.337 ( 5.362 5.279 0.717) 7.558 1.385 ( 4.801 9.099 1.591) 10.411 1.464 ( 1.410 0.749 0.014) 1.597 1.633 ( 0.334 3.914 -0.129) 3.930 1.758 ( 0.135 3.391 -0.166) 3.397 2.204 ( 1.849 10.495 -2.624) 10.975 2.330 ( -1.972 5.583 2.001) 6.250 3.177 ( 2.198 5.691 -1.495) 6.281 3.274 ( -0.598 -0.527 1.682) 1.861 3.440 ( 2.387 -7.370 -0.807) 7.788 3.668 ( -0.983 -3.967 0.526) 4.120 3.843 ( -1.389 -3.335 2.646) 4.478 3.886 ( -3.186 -5.563 -1.455) 6.574 3.986 ( 2.465 -7.700 -3.417) 8.777 4.044 ( -2.197 -5.350 3.009) 6.520 4.248 ( -0.357 0.849 5.041) 5.124 4.454 ( -1.168 -6.137 -2.282) 6.651 4.749 ( -2.192 -4.641 -3.807) 6.391 4.806 ( -4.259 -4.689 2.845) 6.944======================= Grid point 908 (265/288) =======================q-point: ( 0.64 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.258 ( 4.795 3.848 -1.789) 6.403 1.363 ( 1.270 5.981 2.598) 6.644 1.454 ( 2.815 1.305 0.078) 3.104 1.518 ( 2.276 5.828 -0.496) 6.277 1.562 ( 5.974 4.921 1.025) 7.807 1.648 ( 0.831 -0.515 -0.094) 0.982 1.784 ( -0.385 2.295 -0.411) 2.363 2.273 ( 1.885 1.021 -1.555) 2.648 2.410 ( -0.312 10.858 1.349) 10.946 3.232 ( 2.399 -3.429 -0.943) 4.290 3.295 ( 1.194 4.245 0.559) 4.446 3.414 ( 2.249 -5.527 -0.160) 5.969 3.631 ( -1.167 -0.323 0.534) 1.323 3.743 ( -3.844 -6.769 -0.198) 7.787 3.774 ( -3.214 -4.857 -0.689) 5.865 3.883 ( -2.353 -7.510 -1.726) 8.057 4.015 ( -0.889 -1.246 2.550) 2.974 4.247 ( -0.208 -1.933 2.870) 3.467 4.368 ( -1.569 -5.509 -1.165) 5.845 4.648 ( -3.254 -4.773 -2.946) 6.485 4.674 ( -6.288 -4.006 2.294) 7.801======================= Grid point 909 (266/288) =======================q-point: ( 0.71 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.366 ( 2.461 4.262 -0.000) 4.922 1.429 ( -0.174 -0.302 0.000) 0.348 1.446 ( 0.104 0.181 -0.000) 0.209 1.631 ( 3.113 5.392 -0.000) 6.226 1.645 ( 1.281 2.219 -0.000) 2.562 1.718 ( 2.729 4.727 -0.000) 5.458 1.801 ( 0.895 1.549 -0.000) 1.789 2.317 ( 1.474 2.553 -0.000) 2.948 2.507 ( 2.580 4.469 -0.000) 5.160 3.220 ( -0.700 -1.212 -0.000) 1.400 3.342 ( 0.436 0.755 0.000) 0.872 3.413 ( 0.231 0.400 -0.000) 0.462 3.584 ( -3.144 -5.445 0.000) 6.287 3.644 ( -0.509 -0.881 -0.000) 1.017 3.683 ( -2.236 -3.873 0.000) 4.472 3.785 ( -2.052 -3.555 0.000) 4.105 3.982 ( -0.986 -1.708 -0.000) 1.972 4.201 ( -2.328 -4.032 0.000) 4.656 4.284 ( -2.614 -4.527 0.000) 5.227 4.542 ( -2.968 -5.140 0.000) 5.936 4.543 ( -3.046 -5.275 -0.000) 6.092======================= Grid point 922 (267/288) =======================q-point: ( 0.57 0.57 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.163 ( 0.000 3.883 -3.669) 5.343 1.284 ( 0.000 1.578 -0.578) 1.680 1.390 ( -0.000 8.049 6.180) 10.148 1.407 ( 0.000 3.770 0.976) 3.894 1.475 ( 0.000 5.219 -0.218) 5.224 1.650 ( 0.000 -0.771 -0.960) 1.232 1.793 ( 0.000 3.694 0.114) 3.696 2.253 ( 0.000 3.979 -3.565) 5.342 2.455 ( 0.000 12.399 3.217) 12.810 3.171 ( 0.000 -2.183 -1.530) 2.666 3.285 ( 0.000 -0.006 -0.075) 0.075 3.319 ( -0.000 -9.720 -0.999) 9.771 3.661 ( -0.000 0.721 2.078) 2.200 3.795 ( 0.000 -10.891 -4.058) 11.623 3.854 ( -0.000 -6.141 0.692) 6.180 3.903 ( -0.000 -1.879 -0.432) 1.928 4.020 ( -0.000 -3.234 2.826) 4.295 4.262 ( -0.000 -1.161 5.640) 5.759 4.399 ( 0.000 -5.749 -2.147) 6.137 4.725 ( 0.000 -3.051 -2.491) 3.939 4.812 ( -0.000 -3.288 1.222) 3.508======================= Grid point 923 (268/288) =======================q-point: ( 0.64 0.57 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.217 ( 2.717 3.115 -1.036) 4.261 1.340 ( 4.907 0.445 -0.551) 4.958 1.468 ( 0.536 4.948 3.754) 6.233 1.477 ( 5.025 1.874 -0.041) 5.364 1.556 ( 1.679 6.040 0.284) 6.275 1.621 ( -0.202 -2.332 -1.058) 2.569 1.821 ( -0.617 2.742 -0.047) 2.811 2.276 ( -0.261 2.621 -1.522) 3.042 2.549 ( -2.419 9.451 1.599) 9.886 3.137 ( 2.075 -6.799 -1.084) 7.191 3.260 ( 4.340 -7.926 -0.704) 9.063 3.296 ( 1.887 -1.433 -0.321) 2.391 3.661 ( -0.622 -7.722 -3.310) 8.424 3.685 ( -0.508 -0.211 0.304) 0.628 3.796 ( -1.625 -3.993 1.719) 4.641 3.855 ( -3.106 -2.284 -1.670) 4.202 4.016 ( 0.945 -0.843 2.633) 2.921 4.243 ( -1.003 -2.705 4.679) 5.497 4.333 ( -1.270 -4.675 -1.835) 5.180 4.672 ( -3.077 -1.905 -1.137) 3.794 4.742 ( -4.514 -3.086 0.252) 5.474======================= Grid point 939 (269/288) =======================q-point: (-0.36 -0.36 -0.71)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.226 ( 0.000 2.142 0.544) 2.210 1.277 ( -0.000 -1.558 -0.069) 1.560 1.447 ( 0.000 1.631 0.359) 1.670 1.487 ( -0.000 -0.722 0.103) 0.730 1.599 ( 0.000 5.553 -0.242) 5.558 1.621 ( 0.000 1.575 0.354) 1.614 1.851 ( 0.000 2.106 0.325) 2.131 2.303 ( 0.000 1.839 -0.667) 1.956 2.651 ( 0.000 5.584 0.780) 5.638 3.033 ( -0.000 -9.113 -2.258) 9.389 3.123 ( -0.000 -9.320 -0.128) 9.321 3.265 ( -0.000 -1.645 1.448) 2.192 3.532 ( -0.000 -11.095 -3.826) 11.736 3.748 ( 0.000 5.356 0.123) 5.357 3.753 ( -0.000 -5.201 -0.716) 5.250 3.902 ( 0.000 1.575 0.179) 1.585 3.987 ( -0.000 -1.436 1.699) 2.225 4.235 ( -0.000 -2.709 4.272) 5.058 4.313 ( 0.000 -1.762 -1.616) 2.391 4.687 ( -0.000 -0.991 0.294) 1.034 4.751 ( -0.000 -2.985 -0.727) 3.072======================= Grid point 1078 (270/288) =======================q-point: ( 0.36 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.420 ( -0.000 0.000 8.945) 8.945 0.420 ( -0.000 0.000 8.945) 8.945 0.565 ( -0.000 0.000 18.387) 18.387 0.895 ( 0.000 -0.000 -3.310) 3.310 0.895 ( 0.000 -0.000 -3.310) 3.310 1.400 ( 0.000 -0.000 -9.436) 9.436 1.511 ( -0.000 0.000 0.384) 0.384 1.511 ( -0.000 0.000 0.384) 0.384 2.579 ( 0.000 -0.000 -0.731) 0.731 2.609 ( -0.000 0.000 11.390) 11.390 2.609 ( -0.000 0.000 11.390) 11.390 3.300 ( 0.000 -0.000 -7.304) 7.304 3.300 ( 0.000 -0.000 -7.304) 7.304 4.034 ( -0.000 0.000 0.007) 0.007 4.034 ( 0.000 0.000 0.007) 0.007 4.195 ( -0.000 0.000 0.282) 0.282 4.195 ( -0.000 0.000 0.282) 0.282 4.481 ( -0.000 0.000 11.350) 11.350 4.666 ( 0.000 -0.000 -0.723) 0.723 5.039 ( -0.000 0.000 1.369) 1.369 5.261 ( 0.000 -0.000 -1.118) 1.118======================= Grid point 1079 (271/288) =======================q-point: ( 0.43 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.622 ( 13.111 7.570 4.746) 15.866 0.627 ( 8.441 4.874 14.738) 17.669 0.763 ( 16.329 9.427 2.089) 18.970 0.942 ( 4.779 2.759 -2.045) 5.885 1.021 ( 9.586 5.534 -2.872) 11.435 1.422 ( 4.767 2.752 -6.346) 8.401 1.509 ( -0.492 -0.284 -0.054) 0.571 1.540 ( 2.586 1.493 0.459) 3.021 2.531 ( -3.431 -1.981 -1.325) 4.178 2.687 ( 4.914 2.837 9.672) 11.213 3.148 ( 31.299 18.070 -9.482) 37.364 3.287 ( 0.228 0.132 -6.068) 6.074 3.421 ( 8.210 4.740 -2.507) 9.806 3.999 ( -3.341 -1.929 -0.641) 3.911 4.030 ( -0.041 -0.024 0.963) 0.964 4.162 ( -2.663 -1.537 0.574) 3.128 4.186 ( -0.927 -0.535 -0.216) 1.092 4.492 ( -1.473 -0.850 8.928) 9.089 4.627 ( -2.875 -1.660 -1.696) 3.728 5.002 ( -3.361 -1.941 1.413) 4.131 5.207 ( -4.304 -2.485 -1.533) 5.201======================= Grid point 1080 (272/288) =======================q-point: ( 0.50 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.843 ( 8.164 4.713 12.580) 15.720 0.937 ( 12.859 7.424 2.386) 15.039 1.082 ( 7.220 4.169 -1.215) 8.425 1.085 ( 10.033 5.793 -8.615) 14.437 1.286 ( 13.529 7.811 0.050) 15.622 1.489 ( -1.150 -0.664 -0.365) 1.377 1.618 ( 5.050 2.916 1.752) 6.089 1.647 ( 14.064 8.120 -2.065) 16.370 2.433 ( -4.495 -2.595 -1.862) 5.515 2.854 ( 8.030 4.636 7.203) 11.741 3.291 ( 0.956 0.552 -4.379) 4.516 3.534 ( 0.878 0.507 0.694) 1.228 3.699 ( 17.044 9.840 -6.575) 20.750 3.887 ( -6.125 -3.536 -0.846) 7.122 4.027 ( -1.099 -0.634 3.147) 3.393 4.080 ( -4.399 -2.540 0.443) 5.099 4.163 ( -0.612 -0.353 -0.574) 0.910 4.412 ( -6.120 -3.533 1.219) 7.171 4.562 ( -2.628 -1.517 1.631) 3.445 4.901 ( -5.416 -3.127 1.928) 6.545 5.075 ( -6.538 -3.775 -2.134) 7.846======================= Grid point 1081 (273/288) =======================q-point: ( 0.57 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.021 ( 5.734 3.311 7.776) 10.213 1.180 ( 7.306 4.218 1.965) 8.662 1.257 ( 8.456 4.882 -1.598) 9.895 1.260 ( 7.870 4.544 -6.880) 11.398 1.459 ( -1.185 -0.684 -0.218) 1.386 1.558 ( 8.939 5.161 -0.959) 10.366 1.716 ( 3.752 2.166 0.441) 4.355 2.017 ( 15.186 8.767 2.671) 17.737 2.352 ( -0.816 -0.471 -2.924) 3.072 3.054 ( 7.688 4.439 5.106) 10.241 3.305 ( 0.405 0.234 -3.039) 3.075 3.475 ( -5.518 -3.186 1.237) 6.490 3.739 ( -5.874 -3.391 -0.577) 6.807 3.885 ( 0.778 0.449 -2.002) 2.194 3.970 ( -4.895 -2.826 5.571) 7.936 3.976 ( -4.369 -2.522 -0.034) 5.045 4.133 ( -3.938 -2.274 -0.238) 4.553 4.305 ( -0.497 -0.287 -6.058) 6.085 4.490 ( -4.330 -2.500 3.337) 6.012 4.783 ( -4.865 -2.809 3.341) 6.536 4.925 ( -5.669 -3.273 -2.548) 7.025======================= Grid point 1082 (274/288) =======================q-point: ( 0.64 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.144 ( 4.425 2.555 2.918) 5.884 1.281 ( 1.708 0.986 0.246) 1.987 1.411 ( 2.794 1.613 -0.572) 3.277 1.418 ( 6.325 3.652 -4.134) 8.393 1.474 ( 4.661 2.691 0.225) 5.387 1.646 ( -1.017 -0.587 0.411) 1.244 1.793 ( 3.217 1.857 -0.063) 3.715 2.235 ( 4.187 2.417 2.674) 5.525 2.471 ( 10.117 5.841 -2.759) 12.003 3.163 ( -0.969 -0.559 1.575) 1.932 3.283 ( -1.147 -0.662 0.745) 1.519 3.314 ( -8.272 -4.776 0.809) 9.585 3.671 ( 0.910 0.525 -1.482) 1.817 3.766 ( -10.423 -6.017 6.117) 13.500 3.857 ( -4.464 -2.577 -0.130) 5.156 3.902 ( -1.693 -0.978 -0.013) 1.955 4.037 ( -2.894 -1.671 -3.242) 4.656 4.293 ( -1.322 -0.763 -5.356) 5.569 4.386 ( -4.728 -2.730 2.562) 6.031 4.711 ( -1.877 -1.083 2.535) 3.335 4.819 ( -3.478 -2.008 -1.132) 4.173======================= Grid point 1094 (275/288) =======================q-point: ( 0.43 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.625 ( 0.000 14.918 4.192) 15.496 0.662 ( -0.000 11.897 13.154) 17.736 0.759 ( 0.000 15.708 0.479) 15.715 0.953 ( 0.000 6.018 -3.043) 6.744 1.011 ( 0.000 11.935 -1.398) 12.016 1.403 ( 0.000 4.972 -5.126) 7.141 1.501 ( -0.000 -0.903 0.706) 1.147 1.548 ( 0.000 3.265 -0.260) 3.276 2.529 ( -0.000 -4.016 -1.142) 4.175 2.703 ( -0.000 5.703 8.338) 10.102 3.120 ( 0.000 33.400 -5.526) 33.854 3.281 ( 0.000 0.379 -5.748) 5.761 3.417 ( 0.000 10.516 -2.251) 10.754 3.988 ( -0.000 -4.222 0.522) 4.254 4.041 ( 0.000 0.255 -0.171) 0.307 4.169 ( -0.000 -2.888 -0.153) 2.892 4.179 ( -0.000 -1.408 0.593) 1.528 4.518 ( -0.000 -1.252 8.779) 8.867 4.623 ( 0.000 -2.850 -3.552) 4.553 5.006 ( -0.000 -3.722 1.192) 3.908 5.202 ( -0.000 -5.295 -1.405) 5.478======================= Grid point 1095 (276/288) =======================q-point: ( 0.50 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.834 ( 4.107 10.122 11.967) 16.203 0.874 ( 8.161 14.501 2.518) 16.829 0.974 ( 7.193 9.116 -7.704) 13.936 1.050 ( 4.225 8.436 -1.800) 9.605 1.207 ( 7.102 12.727 -0.133) 14.576 1.495 ( -0.052 -0.841 0.305) 0.896 1.541 ( 7.685 12.029 -1.136) 14.319 1.599 ( 1.858 3.912 -0.127) 4.333 2.458 ( -2.680 -4.560 -1.348) 5.458 2.820 ( 4.169 7.506 5.855) 10.392 3.272 ( 0.291 0.536 -3.786) 3.835 3.527 ( 3.910 5.377 0.521) 6.669 3.560 ( 11.743 19.688 -4.796) 23.421 3.917 ( -2.768 -5.611 -0.230) 6.261 4.037 ( -0.596 -0.418 1.304) 1.494 4.115 ( -2.204 -3.255 0.398) 3.951 4.158 ( -0.555 -1.700 -0.239) 1.804 4.460 ( -4.021 -6.202 2.946) 7.957 4.585 ( -1.335 -0.997 -1.086) 1.989 4.938 ( -2.971 -4.731 1.156) 5.705 5.105 ( -3.602 -6.938 -1.342) 7.932======================= Grid point 1096 (277/288) =======================q-point: ( 0.57 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.012 ( 3.304 7.506 9.290) 12.392 1.118 ( 7.077 6.408 -2.889) 9.974 1.167 ( 8.123 9.829 -2.866) 13.069 1.220 ( 4.866 8.411 -1.865) 9.894 1.447 ( 5.661 4.777 -0.591) 7.431 1.495 ( 2.102 4.054 -0.237) 4.572 1.679 ( 3.197 3.056 0.418) 4.443 1.869 ( 13.654 13.574 0.781) 19.270 2.360 ( -2.766 -3.893 -1.405) 4.978 2.998 ( 6.309 7.458 3.856) 10.503 3.283 ( 1.072 0.047 -2.449) 2.674 3.540 ( -3.063 -0.711 0.894) 3.269 3.787 ( -4.311 -5.111 -0.684) 6.721 3.853 ( 4.306 4.648 -1.997) 6.643 3.985 ( -3.032 -4.642 1.296) 5.694 4.054 ( -3.254 -0.310 2.358) 4.031 4.145 ( 0.240 -1.164 -0.075) 1.191 4.307 ( -4.211 -6.095 -2.690) 7.882 4.536 ( -3.012 -2.256 1.749) 4.150 4.829 ( -4.175 -4.629 2.217) 6.616 4.955 ( -4.672 -7.221 -2.095) 8.852======================= Grid point 1097 (278/288) =======================q-point: ( 0.64 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.131 ( 2.388 5.272 4.633) 7.414 1.281 ( 4.572 5.094 -0.825) 6.894 1.348 ( 4.331 6.280 -3.063) 8.221 1.393 ( 5.363 8.673 -1.376) 10.289 1.463 ( -0.269 1.361 0.130) 1.394 1.634 ( 2.913 2.140 -0.266) 3.624 1.757 ( 2.973 1.815 0.165) 3.487 2.186 ( 7.076 6.338 3.480) 10.117 2.346 ( 6.888 1.620 -3.370) 7.837 3.164 ( 3.452 4.847 3.078) 6.700 3.284 ( -0.258 -0.990 -1.770) 2.044 3.435 ( -7.568 -1.439 0.908) 7.757 3.672 ( -2.571 -2.787 -0.686) 3.854 3.851 ( -3.492 -3.790 0.210) 5.158 3.879 ( -2.982 -5.376 0.669) 6.184 3.962 ( -7.544 -2.533 4.732) 9.258 4.064 ( -2.942 -2.955 -3.894) 5.705 4.276 ( 1.260 -0.490 -5.117) 5.292 4.441 ( -4.751 -3.649 2.273) 6.408 4.728 ( -2.824 -4.099 3.750) 6.233 4.821 ( -2.280 -6.171 -2.502) 7.039======================= Grid point 1110 (279/288) =======================q-point: ( 0.50 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.929 ( -0.000 11.163 4.936) 12.206 0.944 ( 0.000 15.177 1.167) 15.222 1.012 ( 0.000 9.216 -3.197) 9.754 1.087 ( 0.000 7.863 -1.990) 8.111 1.289 ( 0.000 15.017 -0.397) 15.022 1.482 ( -0.000 -1.359 0.909) 1.635 1.628 ( 0.000 6.782 -0.785) 6.828 1.631 ( 0.000 16.405 1.294) 16.456 2.428 ( -0.000 -5.337 -1.112) 5.452 2.880 ( 0.000 9.601 3.254) 10.138 3.276 ( 0.000 0.730 -2.320) 2.432 3.538 ( 0.000 2.257 0.126) 2.260 3.657 ( 0.000 18.775 0.659) 18.787 3.878 ( -0.000 -6.910 0.631) 6.939 4.040 ( -0.000 -0.662 0.608) 0.899 4.085 ( -0.000 -5.236 -0.353) 5.248 4.157 ( -0.000 -0.382 0.544) 0.664 4.419 ( -0.000 -9.516 0.783) 9.548 4.584 ( 0.000 -1.143 -2.606) 2.846 4.914 ( -0.000 -5.393 0.029) 5.393 5.059 ( -0.000 -8.306 0.152) 8.308======================= Grid point 1111 (280/288) =======================q-point: ( 0.57 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.060 ( 4.465 6.367 -7.425) 10.752 1.088 ( -0.004 9.008 6.898) 11.346 1.158 ( 6.412 12.749 1.158) 14.318 1.217 ( 4.979 8.043 -0.671) 9.483 1.445 ( 1.392 7.194 0.117) 7.328 1.493 ( 2.622 3.736 0.550) 4.597 1.681 ( 0.867 4.306 -0.422) 4.413 1.870 ( 5.107 19.033 0.571) 19.714 2.357 ( -1.996 -4.551 -0.550) 5.000 3.007 ( 2.972 9.537 0.682) 10.013 3.277 ( -0.259 0.628 -0.250) 0.723 3.544 ( 0.712 -2.795 -0.500) 2.927 3.785 ( -2.128 -6.204 0.135) 6.561 3.841 ( 2.905 5.731 2.363) 6.846 3.989 ( -2.710 -4.832 -0.280) 5.547 4.059 ( 1.368 -2.468 0.495) 2.865 4.147 ( -1.201 0.324 -0.583) 1.374 4.296 ( -2.914 -8.547 1.327) 9.127 4.547 ( -1.293 -3.269 -2.096) 4.093 4.839 ( -2.294 -5.165 -0.981) 5.736 4.946 ( -3.491 -8.214 0.983) 8.979======================= Grid point 1112 (281/288) =======================q-point: ( 0.64 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.163 ( 2.957 5.122 -0.000) 5.914 1.227 ( 4.343 7.522 0.000) 8.685 1.376 ( 4.252 7.365 0.000) 8.505 1.380 ( 5.394 9.342 -0.000) 10.787 1.476 ( 0.885 1.533 -0.000) 1.771 1.615 ( 2.665 4.616 -0.000) 5.330 1.737 ( 1.506 2.609 -0.000) 3.012 2.153 ( 8.013 13.878 -0.000) 16.025 2.289 ( -1.231 -2.132 -0.000) 2.461 3.160 ( 4.406 7.631 0.000) 8.811 3.277 ( -0.221 -0.383 0.000) 0.442 3.502 ( -1.934 -3.349 -0.000) 3.867 3.683 ( -2.599 -4.501 0.000) 5.198 3.852 ( -2.112 -3.658 0.000) 4.224 3.881 ( -3.323 -5.755 -0.000) 6.646 4.050 ( -0.827 -1.433 0.000) 1.655 4.054 ( -4.969 -8.607 -0.000) 9.939 4.248 ( 0.745 1.291 0.000) 1.491 4.470 ( -2.708 -4.690 0.000) 5.415 4.742 ( -2.816 -4.877 0.000) 5.632 4.795 ( -4.428 -7.670 -0.000) 8.857======================= Grid point 1126 (282/288) =======================q-point: ( 0.57 0.57 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.065 ( 0.000 5.245 -8.005) 9.570 1.191 ( 0.000 8.270 -1.886) 8.482 1.219 ( -0.000 10.009 8.211) 12.947 1.249 ( 0.000 9.659 1.354) 9.754 1.457 ( -0.000 -1.185 0.523) 1.295 1.554 ( 0.000 10.393 0.539) 10.407 1.718 ( 0.000 4.150 -0.467) 4.176 2.028 ( 0.000 18.679 -1.001) 18.706 2.341 ( -0.000 -1.794 0.955) 2.033 3.075 ( 0.000 8.960 -2.492) 9.300 3.291 ( -0.000 0.473 2.025) 2.080 3.482 ( -0.000 -6.364 -1.204) 6.476 3.736 ( -0.000 -6.829 0.449) 6.843 3.869 ( -0.000 1.962 3.736) 4.220 3.976 ( -0.000 -5.126 -0.143) 5.128 3.994 ( 0.000 -4.669 -2.823) 5.456 4.136 ( -0.000 -5.920 -1.525) 6.113 4.271 ( -0.000 -1.329 6.050) 6.194 4.510 ( 0.000 -5.103 -3.534) 6.207 4.802 ( 0.000 -5.173 -3.510) 6.252 4.910 ( -0.000 -6.531 2.883) 7.139======================= Grid point 1300 (283/288) =======================q-point: ( 0.43 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.458 ( -0.000 0.000 4.800) 4.800 0.458 ( -0.000 0.000 4.800) 4.800 0.647 ( -0.000 0.000 11.065) 11.065 0.880 ( 0.000 -0.000 -2.017) 2.017 0.880 ( 0.000 -0.000 -2.017) 2.017 1.354 ( 0.000 -0.000 -6.488) 6.488 1.513 ( -0.000 0.000 0.208) 0.208 1.513 ( -0.000 0.000 0.208) 0.208 2.576 ( 0.000 -0.000 -0.460) 0.460 2.661 ( -0.000 0.000 7.018) 7.018 2.661 ( -0.000 0.000 7.018) 7.018 3.265 ( 0.000 -0.000 -4.763) 4.763 3.265 ( 0.000 -0.000 -4.763) 4.763 4.034 ( 0.000 0.000 0.012) 0.012 4.034 ( 0.000 0.000 0.012) 0.012 4.196 ( -0.000 0.000 0.153) 0.153 4.196 ( -0.000 0.000 0.153) 0.153 4.544 ( -0.000 0.000 11.262) 11.262 4.651 ( 0.000 -0.000 -4.658) 4.658 5.046 ( -0.000 0.000 0.936) 0.936 5.253 ( 0.000 -0.000 -1.357) 1.357======================= Grid point 1301 (284/288) =======================q-point: ( 0.50 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.640 ( 12.573 7.259 1.815) 14.631 0.696 ( 11.022 6.363 10.105) 16.251 0.761 ( 11.580 6.686 -2.574) 13.617 0.935 ( 4.986 2.879 -0.266) 5.764 1.010 ( 10.101 5.832 -1.168) 11.722 1.393 ( 5.514 3.183 -3.705) 7.366 1.507 ( -0.581 -0.336 -0.347) 0.756 1.543 ( 2.611 1.508 0.593) 3.073 2.525 ( -3.646 -2.105 -0.539) 4.244 2.727 ( 4.731 2.731 4.567) 7.120 3.113 ( 29.075 16.787 -3.829) 33.791 3.261 ( 0.407 0.235 -2.846) 2.885 3.410 ( 9.244 5.337 -1.160) 10.736 3.995 ( -3.467 -2.001 -0.721) 4.067 4.035 ( 0.232 0.134 0.794) 0.838 4.165 ( -2.616 -1.510 0.517) 3.064 4.184 ( -1.051 -0.607 -0.385) 1.273 4.544 ( -2.746 -1.585 9.364) 9.886 4.607 ( -2.156 -1.245 -5.350) 5.901 5.009 ( -3.292 -1.901 0.764) 3.877 5.199 ( -4.385 -2.532 -1.167) 5.196======================= Grid point 1302 (285/288) =======================q-point: ( 0.57 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.907 ( 7.732 4.464 10.053) 13.445 0.946 ( 12.898 7.447 0.678) 14.909 1.035 ( 9.661 5.578 -8.762) 14.186 1.080 ( 7.044 4.067 0.405) 8.144 1.287 ( 13.237 7.642 0.273) 15.287 1.486 ( -1.159 -0.669 -0.696) 1.508 1.625 ( 4.132 2.386 0.790) 4.836 1.637 ( 15.876 9.166 -1.327) 18.380 2.426 ( -4.629 -2.673 -0.436) 5.363 2.882 ( 7.955 4.593 2.551) 9.534 3.274 ( 0.978 0.565 -1.509) 1.885 3.537 ( 1.327 0.766 0.383) 1.579 3.670 ( 17.464 10.083 -3.896) 20.539 3.882 ( -6.064 -3.501 -0.814) 7.049 4.039 ( -0.571 -0.329 1.250) 1.413 4.083 ( -4.486 -2.590 0.442) 5.199 4.160 ( -0.461 -0.266 -0.552) 0.767 4.419 ( -7.916 -4.570 0.953) 9.190 4.571 ( -1.618 -0.934 1.916) 2.677 4.910 ( -5.081 -2.933 1.223) 5.993 5.064 ( -6.781 -3.915 -1.631) 7.998======================= Grid point 1316 (286/288) =======================q-point: ( 0.50 0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.641 ( 0.000 14.434 1.464) 14.508 0.718 ( 0.000 17.236 5.670) 18.145 0.751 ( 0.000 8.409 -2.211) 8.694 0.939 ( 0.000 5.945 -1.695) 6.182 1.007 ( 0.000 12.075 -0.019) 12.075 1.385 ( 0.000 6.164 -1.058) 6.255 1.505 ( -0.000 -0.789 0.577) 0.978 1.546 ( 0.000 3.130 -0.450) 3.163 2.525 ( -0.000 -4.235 -0.323) 4.247 2.733 ( -0.000 5.475 2.423) 5.987 3.104 ( 0.000 32.599 -0.563) 32.604 3.259 ( 0.000 0.510 -1.944) 2.009 3.409 ( 0.000 11.034 -0.606) 11.050 3.991 ( -0.000 -4.132 0.682) 4.188 4.039 ( 0.000 0.370 -0.554) 0.666 4.167 ( -0.000 -2.954 -0.366) 2.977 4.182 ( -0.000 -1.325 0.521) 1.424 4.565 ( -0.000 -3.671 7.323) 8.191 4.594 ( 0.000 -1.679 -6.205) 6.429 5.010 ( -0.000 -3.739 0.312) 3.752 5.196 ( -0.000 -5.185 -0.409) 5.201======================= Grid point 1317 (287/288) =======================q-point: ( 0.57 0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.872 ( 6.455 11.180 -0.000) 12.909 0.888 ( 7.047 12.205 0.000) 14.093 0.942 ( 5.530 9.578 -0.000) 11.060 1.044 ( 4.642 8.041 -0.000) 9.285 1.207 ( 7.299 12.643 -0.000) 14.598 1.495 ( -0.378 -0.654 -0.000) 0.755 1.537 ( 7.485 12.964 -0.000) 14.970 1.599 ( 2.124 3.679 -0.000) 4.249 2.454 ( -2.685 -4.650 -0.000) 5.369 2.837 ( 4.199 7.273 0.000) 8.399 3.261 ( 0.379 0.656 0.000) 0.757 3.530 ( 2.518 4.361 0.000) 5.036 3.545 ( 12.675 21.955 0.000) 25.351 3.916 ( -3.152 -5.459 0.000) 6.303 4.040 ( -0.204 -0.354 0.000) 0.409 4.116 ( -1.916 -3.319 -0.000) 3.832 4.157 ( -0.912 -1.580 -0.000) 1.824 4.469 ( -4.318 -7.479 -0.000) 8.636 4.581 ( -0.448 -0.776 0.000) 0.896 4.941 ( -2.769 -4.797 0.000) 5.539 5.101 ( -3.900 -6.755 -0.000) 7.800======================= Grid point 1527 (288/288) =======================q-point: (-0.50 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.471 ( -0.000 0.000 0.000) 0.000 0.471 ( -0.000 0.000 0.000) 0.000 0.679 ( -0.000 0.000 0.000) 0.000 0.874 ( -0.000 0.000 0.000) 0.000 0.874 ( -0.000 0.000 0.000) 0.000 1.335 ( -0.000 0.000 0.000) 0.000 1.513 ( -0.000 0.000 0.000) 0.000 1.513 ( -0.000 0.000 0.000) 0.000 2.575 ( -0.000 0.000 0.000) 0.000 2.681 ( 0.000 -0.000 -0.000) 0.000 2.681 ( 0.000 -0.000 -0.000) 0.000 3.252 ( -0.000 0.000 0.000) 0.000 3.252 ( -0.000 0.000 0.000) 0.000 4.034 ( -0.000 0.000 0.000) 0.000 4.034 ( -0.000 0.000 0.000) 0.000 4.197 ( -0.000 0.000 0.000) 0.000 4.197 ( -0.000 0.000 0.000) 0.000 4.588 ( 0.000 -0.000 -0.000) 0.000 4.627 ( -0.000 0.000 0.000) 0.000 5.049 ( -0.000 0.000 0.000) 0.000 5.249 ( -0.000 0.000 0.000) 0.000=================== End of collection of collisions ===================----------- Thermal conductivity (W/m-k) with tetrahedron method -----------# T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/57624 10.0 122.364 122.364 45.640 0.000 -0.000 0.000 3/57624 20.0 50.303 50.303 12.590 0.000 -0.000 0.000 3/57624 30.0 24.622 24.622 6.062 0.000 -0.000 0.000 3/57624 40.0 15.033 15.033 3.774 0.000 -0.000 0.000 3/57624 50.0 10.624 10.624 2.720 0.000 -0.000 0.000 3/57624 60.0 8.220 8.220 2.137 0.000 -0.000 0.000 3/57624 70.0 6.732 6.732 1.771 0.000 -0.000 0.000 3/57624 80.0 5.723 5.723 1.520 0.000 -0.000 0.000 3/57624 90.0 4.993 4.993 1.335 0.000 -0.000 0.000 3/57624 100.0 4.438 4.438 1.193 0.000 -0.000 0.000 3/57624 110.0 4.000 4.000 1.080 0.000 -0.000 0.000 3/57624 120.0 3.645 3.645 0.987 0.000 -0.000 0.000 3/57624 130.0 3.350 3.350 0.910 0.000 -0.000 0.000 3/57624 140.0 3.101 3.101 0.845 0.000 -0.000 0.000 3/57624 150.0 2.888 2.888 0.788 0.000 -0.000 0.000 3/57624 160.0 2.704 2.704 0.739 0.000 -0.000 0.000 3/57624 170.0 2.542 2.542 0.696 0.000 -0.000 0.000 3/57624 180.0 2.399 2.399 0.657 0.000 -0.000 0.000 3/57624 190.0 2.271 2.271 0.623 0.000 -0.000 0.000 3/57624 200.0 2.157 2.157 0.592 0.000 -0.000 0.000 3/57624 210.0 2.054 2.054 0.564 0.000 -0.000 0.000 3/57624 220.0 1.960 1.960 0.539 0.000 -0.000 0.000 3/57624 230.0 1.875 1.875 0.516 0.000 -0.000 0.000 3/57624 240.0 1.797 1.797 0.495 0.000 -0.000 0.000 3/57624 250.0 1.725 1.725 0.475 0.000 -0.000 0.000 3/57624 260.0 1.659 1.659 0.457 0.000 -0.000 0.000 3/57624 270.0 1.598 1.598 0.440 0.000 -0.000 0.000 3/57624 280.0 1.541 1.541 0.425 0.000 -0.000 0.000 3/57624 290.0 1.488 1.488 0.411 0.000 -0.000 0.000 3/57624 300.0 1.438 1.438 0.397 0.000 -0.000 0.000 3/57624 310.0 1.392 1.392 0.384 0.000 -0.000 0.000 3/57624 320.0 1.349 1.349 0.373 0.000 -0.000 0.000 3/57624 330.0 1.308 1.308 0.361 0.000 -0.000 0.000 3/57624 340.0 1.270 1.270 0.351 0.000 -0.000 0.000 3/57624 350.0 1.234 1.234 0.341 0.000 -0.000 0.000 3/57624 360.0 1.200 1.200 0.332 0.000 -0.000 0.000 3/57624 370.0 1.168 1.168 0.323 0.000 -0.000 0.000 3/57624 380.0 1.137 1.137 0.315 0.000 -0.000 0.000 3/57624 390.0 1.108 1.108 0.307 0.000 -0.000 0.000 3/57624 400.0 1.081 1.081 0.299 0.000 -0.000 0.000 3/57624 410.0 1.055 1.055 0.292 0.000 -0.000 0.000 3/57624 420.0 1.030 1.030 0.285 0.000 -0.000 0.000 3/57624 430.0 1.006 1.006 0.278 0.000 -0.000 0.000 3/57624 440.0 0.983 0.983 0.272 0.000 -0.000 0.000 3/57624 450.0 0.962 0.962 0.266 0.000 -0.000 0.000 3/57624 460.0 0.941 0.941 0.261 0.000 -0.000 0.000 3/57624 470.0 0.921 0.921 0.255 0.000 -0.000 0.000 3/57624 480.0 0.902 0.902 0.250 0.000 -0.000 0.000 3/57624 490.0 0.884 0.884 0.245 0.000 -0.000 0.000 3/57624 500.0 0.866 0.866 0.240 0.000 -0.000 0.000 3/57624 510.0 0.849 0.849 0.235 0.000 -0.000 0.000 3/57624 520.0 0.833 0.833 0.231 0.000 -0.000 0.000 3/57624 530.0 0.817 0.817 0.226 0.000 -0.000 0.000 3/57624 540.0 0.802 0.802 0.222 0.000 -0.000 0.000 3/57624 550.0 0.788 0.788 0.218 0.000 -0.000 0.000 3/57624 560.0 0.774 0.774 0.214 0.000 -0.000 0.000 3/57624 570.0 0.760 0.760 0.211 0.000 -0.000 0.000 3/57624 580.0 0.747 0.747 0.207 0.000 -0.000 0.000 3/57624 590.0 0.735 0.735 0.204 0.000 -0.000 0.000 3/57624 600.0 0.723 0.723 0.200 0.000 -0.000 0.000 3/57624 610.0 0.711 0.711 0.197 0.000 -0.000 0.000 3/57624 620.0 0.700 0.700 0.194 0.000 -0.000 0.000 3/57624 630.0 0.689 0.689 0.191 0.000 -0.000 0.000 3/57624 640.0 0.678 0.678 0.188 0.000 -0.000 0.000 3/57624 650.0 0.668 0.668 0.185 0.000 -0.000 0.000 3/57624 660.0 0.657 0.657 0.182 0.000 -0.000 0.000 3/57624 670.0 0.648 0.648 0.180 0.000 -0.000 0.000 3/57624 680.0 0.638 0.638 0.177 0.000 -0.000 0.000 3/57624 690.0 0.629 0.629 0.174 0.000 -0.000 0.000 3/57624 700.0 0.620 0.620 0.172 0.000 -0.000 0.000 3/57624 710.0 0.611 0.611 0.170 0.000 -0.000 0.000 3/57624 720.0 0.603 0.603 0.167 0.000 -0.000 0.000 3/57624 730.0 0.595 0.595 0.165 0.000 -0.000 0.000 3/57624 740.0 0.587 0.587 0.163 0.000 -0.000 0.000 3/57624 750.0 0.579 0.579 0.161 0.000 -0.000 0.000 3/57624 760.0 0.571 0.571 0.159 0.000 -0.000 0.000 3/57624 770.0 0.564 0.564 0.156 0.000 -0.000 0.000 3/57624 780.0 0.557 0.557 0.154 0.000 -0.000 0.000 3/57624 790.0 0.550 0.550 0.153 0.000 -0.000 0.000 3/57624 800.0 0.543 0.543 0.151 0.000 -0.000 0.000 3/57624 810.0 0.536 0.536 0.149 0.000 -0.000 0.000 3/57624 820.0 0.530 0.530 0.147 0.000 -0.000 0.000 3/57624 830.0 0.524 0.524 0.145 0.000 -0.000 0.000 3/57624 840.0 0.517 0.517 0.144 0.000 -0.000 0.000 3/57624 850.0 0.511 0.511 0.142 0.000 -0.000 0.000 3/57624 860.0 0.505 0.505 0.140 0.000 -0.000 0.000 3/57624 870.0 0.500 0.500 0.139 0.000 -0.000 0.000 3/57624 880.0 0.494 0.494 0.137 0.000 -0.000 0.000 3/57624 890.0 0.488 0.488 0.136 0.000 -0.000 0.000 3/57624 900.0 0.483 0.483 0.134 0.000 -0.000 0.000 3/57624 910.0 0.478 0.478 0.133 0.000 -0.000 0.000 3/57624 920.0 0.473 0.473 0.131 0.000 -0.000 0.000 3/57624 930.0 0.468 0.468 0.130 0.000 -0.000 0.000 3/57624 940.0 0.463 0.463 0.128 0.000 -0.000 0.000 3/57624 950.0 0.458 0.458 0.127 0.000 -0.000 0.000 3/57624 960.0 0.453 0.453 0.126 0.000 -0.000 0.000 3/57624 970.0 0.448 0.448 0.124 0.000 -0.000 0.000 3/57624 980.0 0.444 0.444 0.123 0.000 -0.000 0.000 3/57624 990.0 0.439 0.439 0.122 0.000 -0.000 0.000 3/57624 1000.0 0.435 0.435 0.121 0.000 -0.000 0.000 3/57624Thermal conductivity related properties were written into "kappa-m141414.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 21:39:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|