# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/f23259fc-10a0-4623-9b1d-e15f9b5471d8/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 LiBiF4 / I4_1/a (88) / materials id 28567](https://mdr.nims.go.jp/datasets/f6a5d0e3-95cc-47cc-8371-ea2196832770) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 07:20:48]-------------------------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: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5]Spacegroup: I4_1/a (88)Number of symmetry operations in supercell: 64------------------------------ primitive cell ------------------------------Lattice vectors: a -2.635172220000000 2.635172220000000 5.572725200000000 b 2.635172220000000 -2.635172220000000 5.572725200000000 c 2.635172220000000 2.635172220000000 -5.572725200000000Atomic positions (fractional): *1 Bi 0.50000000000000 0.50000000000000 0.00000000000000 208.980 2 Bi 0.25000000000000 0.75000000000000 0.50000000000000 208.980 *3 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 4 Li 0.75000000000000 0.25000000000000 0.50000000000000 6.941 *5 F 0.82917660045068 0.89478209331152 0.38526549373056 18.998 6 F 0.64478209331152 0.75951659958095 0.56560549286084 18.998 7 F 0.19391110672011 0.07917660045068 0.43439450713916 18.998 8 F 0.50951659958095 0.44391110672012 0.61473450626944 18.998 9 F 0.92082339954932 0.35521790668848 0.11473450626944 18.998 10 F 0.10521790668848 0.49048340041905 0.93439450713916 18.998 11 F 0.55608889327989 0.17082339954932 0.06560549286084 18.998 12 F 0.24048340041905 0.80608889327988 0.88526549373056 18.998-------------------------------- unit cell ---------------------------------Lattice vectors: a 5.270344440000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.270344440000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.145450400000000Atomic positions (fractional): *1 Bi 0.50000000000000 0.50000000000000 0.00000000000000 208.980 > 1 2 Bi 0.50000000000000 0.00000000000000 0.25000000000000 208.980 > 2 3 Bi 0.00000000000000 0.00000000000000 0.50000000000000 208.980 > 1 4 Bi 0.00000000000000 0.50000000000000 0.75000000000000 208.980 > 2 *5 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 3 6 Li 0.00000000000000 0.50000000000000 0.25000000000000 6.941 > 4 7 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 3 8 Li 0.50000000000000 0.00000000000000 0.75000000000000 6.941 > 4 *9 F 0.72543549329570 0.65983000043486 0.16934660001582 18.998 > 5 10 F 0.34016999956514 0.22543549329570 0.41934660001582 18.998 > 6 11 F 0.65983000043486 0.77456450670430 0.41934660001582 18.998 > 7 12 F 0.27456450670430 0.34016999956514 0.16934660001582 18.998 > 8 13 F 0.27456450670430 0.84016999956514 0.08065339998418 18.998 > 9 14 F 0.15983000043486 0.77456450670430 0.33065339998418 18.998 > 10 15 F 0.84016999956514 0.22543549329570 0.33065339998418 18.998 > 11 16 F 0.72543549329570 0.15983000043486 0.08065339998418 18.998 > 12 17 F 0.22543549329570 0.15983000043486 0.66934660001582 18.998 > 5 18 F 0.84016999956514 0.72543549329570 0.91934660001582 18.998 > 6 19 F 0.15983000043486 0.27456450670430 0.91934660001582 18.998 > 7 20 F 0.77456450670430 0.84016999956514 0.66934660001582 18.998 > 8 21 F 0.77456450670430 0.34016999956514 0.58065339998418 18.998 > 9 22 F 0.65983000043486 0.27456450670430 0.83065339998418 18.998 > 10 23 F 0.34016999956514 0.72543549329570 0.83065339998418 18.998 > 11 24 F 0.22543549329570 0.65983000043486 0.58065339998418 18.998 > 12-------------------------------- super cell --------------------------------Lattice vectors: a 10.540688880000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.540688880000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.145450400000000Atomic positions (fractional): *1 Bi 0.25000000000000 0.25000000000000 0.00000000000000 208.980 > 1 2 Bi 0.75000000000000 0.25000000000000 0.00000000000000 208.980 > 1 3 Bi 0.25000000000000 0.75000000000000 0.00000000000000 208.980 > 1 4 Bi 0.75000000000000 0.75000000000000 0.00000000000000 208.980 > 1 5 Bi 0.25000000000000 0.00000000000000 0.25000000000000 208.980 > 2 6 Bi 0.75000000000000 0.00000000000000 0.25000000000000 208.980 > 2 7 Bi 0.25000000000000 0.50000000000000 0.25000000000000 208.980 > 2 8 Bi 0.75000000000000 0.50000000000000 0.25000000000000 208.980 > 2 9 Bi 0.00000000000000 0.00000000000000 0.50000000000000 208.980 > 1 10 Bi 0.50000000000000 0.00000000000000 0.50000000000000 208.980 > 1 11 Bi 0.00000000000000 0.50000000000000 0.50000000000000 208.980 > 1 12 Bi 0.50000000000000 0.50000000000000 0.50000000000000 208.980 > 1 13 Bi 0.00000000000000 0.25000000000000 0.75000000000000 208.980 > 2 14 Bi 0.50000000000000 0.25000000000000 0.75000000000000 208.980 > 2 15 Bi 0.00000000000000 0.75000000000000 0.75000000000000 208.980 > 2 16 Bi 0.50000000000000 0.75000000000000 0.75000000000000 208.980 > 2 *17 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 3 18 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 3 19 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 3 20 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 3 21 Li 0.00000000000000 0.25000000000000 0.25000000000000 6.941 > 4 22 Li 0.50000000000000 0.25000000000000 0.25000000000000 6.941 > 4 23 Li 0.00000000000000 0.75000000000000 0.25000000000000 6.941 > 4 24 Li 0.50000000000000 0.75000000000000 0.25000000000000 6.941 > 4 25 Li 0.25000000000000 0.25000000000000 0.50000000000000 6.941 > 3 26 Li 0.75000000000000 0.25000000000000 0.50000000000000 6.941 > 3 27 Li 0.25000000000000 0.75000000000000 0.50000000000000 6.941 > 3 28 Li 0.75000000000000 0.75000000000000 0.50000000000000 6.941 > 3 29 Li 0.25000000000000 0.00000000000000 0.75000000000000 6.941 > 4 30 Li 0.75000000000000 0.00000000000000 0.75000000000000 6.941 > 4 31 Li 0.25000000000000 0.50000000000000 0.75000000000000 6.941 > 4 32 Li 0.75000000000000 0.50000000000000 0.75000000000000 6.941 > 4 *33 F 0.36271774664785 0.32991500021743 0.16934660001582 18.998 > 5 34 F 0.86271774664785 0.32991500021743 0.16934660001582 18.998 > 5 35 F 0.36271774664785 0.82991500021743 0.16934660001582 18.998 > 5 36 F 0.86271774664785 0.82991500021743 0.16934660001582 18.998 > 5 37 F 0.17008499978257 0.11271774664785 0.41934660001582 18.998 > 6 38 F 0.67008499978257 0.11271774664785 0.41934660001582 18.998 > 6 39 F 0.17008499978257 0.61271774664785 0.41934660001582 18.998 > 6 40 F 0.67008499978257 0.61271774664785 0.41934660001582 18.998 > 6 41 F 0.32991500021743 0.38728225335215 0.41934660001582 18.998 > 7 42 F 0.82991500021743 0.38728225335215 0.41934660001582 18.998 > 7 43 F 0.32991500021743 0.88728225335215 0.41934660001582 18.998 > 7 44 F 0.82991500021743 0.88728225335215 0.41934660001582 18.998 > 7 45 F 0.13728225335215 0.17008499978257 0.16934660001582 18.998 > 8 46 F 0.63728225335215 0.17008499978257 0.16934660001582 18.998 > 8 47 F 0.13728225335215 0.67008499978257 0.16934660001582 18.998 > 8 48 F 0.63728225335215 0.67008499978257 0.16934660001582 18.998 > 8 49 F 0.13728225335215 0.42008499978257 0.08065339998418 18.998 > 9 50 F 0.63728225335215 0.42008499978257 0.08065339998418 18.998 > 9 51 F 0.13728225335215 0.92008499978257 0.08065339998418 18.998 > 9 52 F 0.63728225335215 0.92008499978257 0.08065339998418 18.998 > 9 53 F 0.07991500021743 0.38728225335215 0.33065339998418 18.998 > 10 54 F 0.57991500021743 0.38728225335215 0.33065339998418 18.998 > 10 55 F 0.07991500021743 0.88728225335215 0.33065339998418 18.998 > 10 56 F 0.57991500021743 0.88728225335215 0.33065339998418 18.998 > 10 57 F 0.42008499978257 0.11271774664785 0.33065339998418 18.998 > 11 58 F 0.92008499978257 0.11271774664785 0.33065339998418 18.998 > 11 59 F 0.42008499978257 0.61271774664785 0.33065339998418 18.998 > 11 60 F 0.92008499978257 0.61271774664785 0.33065339998418 18.998 > 11 61 F 0.36271774664785 0.07991500021743 0.08065339998418 18.998 > 12 62 F 0.86271774664785 0.07991500021743 0.08065339998418 18.998 > 12 63 F 0.36271774664785 0.57991500021743 0.08065339998418 18.998 > 12 64 F 0.86271774664785 0.57991500021743 0.08065339998418 18.998 > 12 65 F 0.11271774664785 0.07991500021743 0.66934660001582 18.998 > 5 66 F 0.61271774664785 0.07991500021743 0.66934660001582 18.998 > 5 67 F 0.11271774664785 0.57991500021743 0.66934660001582 18.998 > 5 68 F 0.61271774664785 0.57991500021743 0.66934660001582 18.998 > 5 69 F 0.42008499978257 0.36271774664785 0.91934660001582 18.998 > 6 70 F 0.92008499978257 0.36271774664785 0.91934660001582 18.998 > 6 71 F 0.42008499978257 0.86271774664785 0.91934660001582 18.998 > 6 72 F 0.92008499978257 0.86271774664785 0.91934660001582 18.998 > 6 73 F 0.07991500021743 0.13728225335215 0.91934660001582 18.998 > 7 74 F 0.57991500021743 0.13728225335215 0.91934660001582 18.998 > 7 75 F 0.07991500021743 0.63728225335215 0.91934660001582 18.998 > 7 76 F 0.57991500021743 0.63728225335215 0.91934660001582 18.998 > 7 77 F 0.38728225335215 0.42008499978257 0.66934660001582 18.998 > 8 78 F 0.88728225335215 0.42008499978257 0.66934660001582 18.998 > 8 79 F 0.38728225335215 0.92008499978257 0.66934660001582 18.998 > 8 80 F 0.88728225335215 0.92008499978257 0.66934660001582 18.998 > 8 81 F 0.38728225335215 0.17008499978257 0.58065339998418 18.998 > 9 82 F 0.88728225335215 0.17008499978257 0.58065339998418 18.998 > 9 83 F 0.38728225335215 0.67008499978257 0.58065339998418 18.998 > 9 84 F 0.88728225335215 0.67008499978257 0.58065339998418 18.998 > 9 85 F 0.32991500021743 0.13728225335215 0.83065339998418 18.998 > 10 86 F 0.82991500021743 0.13728225335215 0.83065339998418 18.998 > 10 87 F 0.32991500021743 0.63728225335215 0.83065339998418 18.998 > 10 88 F 0.82991500021743 0.63728225335215 0.83065339998418 18.998 > 10 89 F 0.17008499978257 0.36271774664785 0.83065339998418 18.998 > 11 90 F 0.67008499978257 0.36271774664785 0.83065339998418 18.998 > 11 91 F 0.17008499978257 0.86271774664785 0.83065339998418 18.998 > 11 92 F 0.67008499978257 0.86271774664785 0.83065339998418 18.998 > 11 93 F 0.11271774664785 0.32991500021743 0.58065339998418 18.998 > 12 94 F 0.61271774664785 0.32991500021743 0.58065339998418 18.998 > 12 95 F 0.11271774664785 0.82991500021743 0.58065339998418 18.998 > 12 96 F 0.61271774664785 0.82991500021743 0.58065339998418 18.998 > 12----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.8104344 0.0000002 0.0000000 -0.0000002 2.8104344 0.0000000 0.0000000 0.0000000 3.1141946-------------------------- Born effective charges -------------------------- 1 Bi 3.9222515 -0.0396884 0.0000000 0.0396884 3.9222515 0.0000000 0.0000000 0.0000000 5.1209787 2 Bi 3.9222515 -0.0396884 0.0000000 0.0396884 3.9222515 0.0000000 0.0000000 0.0000000 5.1209787 3 Li 1.2553898 0.0128682 0.0000000 -0.0128682 1.2553898 0.0000000 0.0000000 0.0000000 0.9831700 4 Li 1.2553898 0.0128682 0.0000000 -0.0128682 1.2553898 0.0000000 0.0000000 0.0000000 0.9831700 5 F -1.0812466 0.2642850 -0.2250273 0.2508748 -1.5075740 -0.6962095 -0.1959877 -0.6394073 -1.5260372 6 F -1.5075740 -0.2508748 0.6962095 -0.2642850 -1.0812466 -0.2250273 0.6394073 -0.1959877 -1.5260372 7 F -1.5075740 -0.2508748 -0.6962095 -0.2642850 -1.0812466 0.2250273 -0.6394073 0.1959877 -1.5260372 8 F -1.0812466 0.2642850 0.2250273 0.2508748 -1.5075740 0.6962095 0.1959877 0.6394073 -1.5260372 9 F -1.0812466 0.2642850 -0.2250273 0.2508748 -1.5075740 -0.6962095 -0.1959877 -0.6394073 -1.5260372 10 F -1.5075740 -0.2508748 0.6962095 -0.2642850 -1.0812466 -0.2250273 0.6394073 -0.1959877 -1.5260372 11 F -1.5075740 -0.2508748 -0.6962095 -0.2642850 -1.0812466 0.2250273 -0.6394073 0.1959877 -1.5260372 12 F -1.0812466 0.2642850 0.2250273 0.2508748 -1.5075740 0.6962095 0.1959877 0.6394073 -1.5260372----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 288/288Permutation basis: 6624/6624Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 696Number of blocks in projector: 696Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 4--- Eigsh_solver_block: 1 / 4 ---Block_size: 280Use standard eigh solver.--- Eigsh_solver_block: 2 / 4 ---Block_size: 178Use standard eigh solver.--- Eigsh_solver_block: 3 / 4 ---Block_size: 146Use standard eigh solver.--- Eigsh_solver_block: 4 / 4 ---Block_size: 92Use standard eigh solver.Tree of FC basis block matrices:- (696, 682), data: False|-- (92, 89), data: True|-- (146, 143), data: True|-- (178, 174), data: True|-- (280, 276), data: True-----Solver_atoms: 1 -- 96 / 96Time (Solver_compr_matrix_reshape): 0.005Solver_block: 100 / 240 - Time: 0.560Solver_block: 200 / 240 - Time: 0.559Solver_block: 240 / 240 - Time: 0.291Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.461--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 288/288Permutation basis: 6624/6624Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 696Number of blocks in projector: 696Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 4--- Eigsh_solver_block: 1 / 4 ---Block_size: 280Use standard eigh solver.--- Eigsh_solver_block: 2 / 4 ---Block_size: 178Use standard eigh solver.--- Eigsh_solver_block: 3 / 4 ---Block_size: 146Use standard eigh solver.--- Eigsh_solver_block: 4 / 4 ---Block_size: 92Use standard eigh solver.Tree of FC basis block matrices:- (696, 682), data: False|-- (92, 89), data: True|-- (146, 143), data: True|-- (178, 174), data: True|-- (280, 276), 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 07:21:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 07:21:00]-------------------------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: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5]Spacegroup: I4_1/a (88)------------------------------ primitive cell ------------------------------Lattice vectors: a -2.635172220000000 2.635172220000000 5.572725200000000 b 2.635172220000000 -2.635172220000000 5.572725200000000 c 2.635172220000000 2.635172220000000 -5.572725200000000Atomic positions (fractional): 1 Bi 0.50000000000000 0.50000000000000 0.00000000000000 208.980 2 Bi 0.25000000000000 0.75000000000000 0.50000000000000 208.980 3 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 4 Li 0.75000000000000 0.25000000000000 0.50000000000000 6.941 5 F 0.82917660045068 0.89478209331152 0.38526549373056 18.998 6 F 0.64478209331152 0.75951659958095 0.56560549286084 18.998 7 F 0.19391110672011 0.07917660045068 0.43439450713916 18.998 8 F 0.50951659958095 0.44391110672012 0.61473450626944 18.998 9 F 0.92082339954932 0.35521790668848 0.11473450626944 18.998 10 F 0.10521790668848 0.49048340041905 0.93439450713916 18.998 11 F 0.55608889327989 0.17082339954932 0.06560549286084 18.998 12 F 0.24048340041905 0.80608889327988 0.88526549373056 18.998-------------------------------- supercell ---------------------------------Lattice vectors: a 10.540688880000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.540688880000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.145450400000000Atomic positions (fractional): 1 Bi 0.25000000000000 0.25000000000000 0.00000000000000 208.980 > 1 2 Bi 0.75000000000000 0.25000000000000 0.00000000000000 208.980 > 1 3 Bi 0.25000000000000 0.75000000000000 0.00000000000000 208.980 > 1 4 Bi 0.75000000000000 0.75000000000000 0.00000000000000 208.980 > 1 5 Bi 0.25000000000000 0.00000000000000 0.25000000000000 208.980 > 5 6 Bi 0.75000000000000 0.00000000000000 0.25000000000000 208.980 > 5 7 Bi 0.25000000000000 0.50000000000000 0.25000000000000 208.980 > 5 8 Bi 0.75000000000000 0.50000000000000 0.25000000000000 208.980 > 5 9 Bi 0.00000000000000 0.00000000000000 0.50000000000000 208.980 > 1 10 Bi 0.50000000000000 0.00000000000000 0.50000000000000 208.980 > 1 11 Bi 0.00000000000000 0.50000000000000 0.50000000000000 208.980 > 1 12 Bi 0.50000000000000 0.50000000000000 0.50000000000000 208.980 > 1 13 Bi 0.00000000000000 0.25000000000000 0.75000000000000 208.980 > 5 14 Bi 0.50000000000000 0.25000000000000 0.75000000000000 208.980 > 5 15 Bi 0.00000000000000 0.75000000000000 0.75000000000000 208.980 > 5 16 Bi 0.50000000000000 0.75000000000000 0.75000000000000 208.980 > 5 17 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 17 18 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 17 19 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 17 20 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 17 21 Li 0.00000000000000 0.25000000000000 0.25000000000000 6.941 > 21 22 Li 0.50000000000000 0.25000000000000 0.25000000000000 6.941 > 21 23 Li 0.00000000000000 0.75000000000000 0.25000000000000 6.941 > 21 24 Li 0.50000000000000 0.75000000000000 0.25000000000000 6.941 > 21 25 Li 0.25000000000000 0.25000000000000 0.50000000000000 6.941 > 17 26 Li 0.75000000000000 0.25000000000000 0.50000000000000 6.941 > 17 27 Li 0.25000000000000 0.75000000000000 0.50000000000000 6.941 > 17 28 Li 0.75000000000000 0.75000000000000 0.50000000000000 6.941 > 17 29 Li 0.25000000000000 0.00000000000000 0.75000000000000 6.941 > 21 30 Li 0.75000000000000 0.00000000000000 0.75000000000000 6.941 > 21 31 Li 0.25000000000000 0.50000000000000 0.75000000000000 6.941 > 21 32 Li 0.75000000000000 0.50000000000000 0.75000000000000 6.941 > 21 33 F 0.36271774664785 0.32991500021743 0.16934660001582 18.998 > 33 34 F 0.86271774664785 0.32991500021743 0.16934660001582 18.998 > 33 35 F 0.36271774664785 0.82991500021743 0.16934660001582 18.998 > 33 36 F 0.86271774664785 0.82991500021743 0.16934660001582 18.998 > 33 37 F 0.17008499978257 0.11271774664785 0.41934660001582 18.998 > 37 38 F 0.67008499978257 0.11271774664785 0.41934660001582 18.998 > 37 39 F 0.17008499978257 0.61271774664785 0.41934660001582 18.998 > 37 40 F 0.67008499978257 0.61271774664785 0.41934660001582 18.998 > 37 41 F 0.32991500021743 0.38728225335215 0.41934660001582 18.998 > 41 42 F 0.82991500021743 0.38728225335215 0.41934660001582 18.998 > 41 43 F 0.32991500021743 0.88728225335215 0.41934660001582 18.998 > 41 44 F 0.82991500021743 0.88728225335215 0.41934660001582 18.998 > 41 45 F 0.13728225335215 0.17008499978257 0.16934660001582 18.998 > 45 46 F 0.63728225335215 0.17008499978257 0.16934660001582 18.998 > 45 47 F 0.13728225335215 0.67008499978257 0.16934660001582 18.998 > 45 48 F 0.63728225335215 0.67008499978257 0.16934660001582 18.998 > 45 49 F 0.13728225335215 0.42008499978257 0.08065339998418 18.998 > 49 50 F 0.63728225335215 0.42008499978257 0.08065339998418 18.998 > 49 51 F 0.13728225335215 0.92008499978257 0.08065339998418 18.998 > 49 52 F 0.63728225335215 0.92008499978257 0.08065339998418 18.998 > 49 53 F 0.07991500021743 0.38728225335215 0.33065339998418 18.998 > 53 54 F 0.57991500021743 0.38728225335215 0.33065339998418 18.998 > 53 55 F 0.07991500021743 0.88728225335215 0.33065339998418 18.998 > 53 56 F 0.57991500021743 0.88728225335215 0.33065339998418 18.998 > 53 57 F 0.42008499978257 0.11271774664785 0.33065339998418 18.998 > 57 58 F 0.92008499978257 0.11271774664785 0.33065339998418 18.998 > 57 59 F 0.42008499978257 0.61271774664785 0.33065339998418 18.998 > 57 60 F 0.92008499978257 0.61271774664785 0.33065339998418 18.998 > 57 61 F 0.36271774664785 0.07991500021743 0.08065339998418 18.998 > 61 62 F 0.86271774664785 0.07991500021743 0.08065339998418 18.998 > 61 63 F 0.36271774664785 0.57991500021743 0.08065339998418 18.998 > 61 64 F 0.86271774664785 0.57991500021743 0.08065339998418 18.998 > 61 65 F 0.11271774664785 0.07991500021743 0.66934660001582 18.998 > 33 66 F 0.61271774664785 0.07991500021743 0.66934660001582 18.998 > 33 67 F 0.11271774664785 0.57991500021743 0.66934660001582 18.998 > 33 68 F 0.61271774664785 0.57991500021743 0.66934660001582 18.998 > 33 69 F 0.42008499978257 0.36271774664785 0.91934660001582 18.998 > 37 70 F 0.92008499978257 0.36271774664785 0.91934660001582 18.998 > 37 71 F 0.42008499978257 0.86271774664785 0.91934660001582 18.998 > 37 72 F 0.92008499978257 0.86271774664785 0.91934660001582 18.998 > 37 73 F 0.07991500021743 0.13728225335215 0.91934660001582 18.998 > 41 74 F 0.57991500021743 0.13728225335215 0.91934660001582 18.998 > 41 75 F 0.07991500021743 0.63728225335215 0.91934660001582 18.998 > 41 76 F 0.57991500021743 0.63728225335215 0.91934660001582 18.998 > 41 77 F 0.38728225335215 0.42008499978257 0.66934660001582 18.998 > 45 78 F 0.88728225335215 0.42008499978257 0.66934660001582 18.998 > 45 79 F 0.38728225335215 0.92008499978257 0.66934660001582 18.998 > 45 80 F 0.88728225335215 0.92008499978257 0.66934660001582 18.998 > 45 81 F 0.38728225335215 0.17008499978257 0.58065339998418 18.998 > 49 82 F 0.88728225335215 0.17008499978257 0.58065339998418 18.998 > 49 83 F 0.38728225335215 0.67008499978257 0.58065339998418 18.998 > 49 84 F 0.88728225335215 0.67008499978257 0.58065339998418 18.998 > 49 85 F 0.32991500021743 0.13728225335215 0.83065339998418 18.998 > 53 86 F 0.82991500021743 0.13728225335215 0.83065339998418 18.998 > 53 87 F 0.32991500021743 0.63728225335215 0.83065339998418 18.998 > 53 88 F 0.82991500021743 0.63728225335215 0.83065339998418 18.998 > 53 89 F 0.17008499978257 0.36271774664785 0.83065339998418 18.998 > 57 90 F 0.67008499978257 0.36271774664785 0.83065339998418 18.998 > 57 91 F 0.17008499978257 0.86271774664785 0.83065339998418 18.998 > 57 92 F 0.67008499978257 0.86271774664785 0.83065339998418 18.998 > 57 93 F 0.11271774664785 0.32991500021743 0.58065339998418 18.998 > 61 94 F 0.61271774664785 0.32991500021743 0.58065339998418 18.998 > 61 95 F 0.11271774664785 0.82991500021743 0.58065339998418 18.998 > 61 96 F 0.61271774664785 0.82991500021743 0.58065339998418 18.998 > 61----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.8104344 0.0000002 0.0000000 -0.0000002 2.8104344 0.0000000 0.0000000 0.0000000 3.1141946-------------------------- Born effective charges -------------------------- 1 Bi 3.9222515 -0.0396884 0.0000000 0.0396884 3.9222515 0.0000000 0.0000000 0.0000000 5.1209787 2 Bi 3.9222515 -0.0396884 0.0000000 0.0396884 3.9222515 0.0000000 0.0000000 0.0000000 5.1209787 3 Li 1.2553898 0.0128682 0.0000000 -0.0128682 1.2553898 0.0000000 0.0000000 0.0000000 0.9831700 4 Li 1.2553898 0.0128682 0.0000000 -0.0128682 1.2553898 0.0000000 0.0000000 0.0000000 0.9831700 5 F -1.0812466 0.2642850 -0.2250273 0.2508748 -1.5075740 -0.6962095 -0.1959877 -0.6394073 -1.5260372 6 F -1.5075740 -0.2508748 0.6962095 -0.2642850 -1.0812466 -0.2250273 0.6394073 -0.1959877 -1.5260372 7 F -1.5075740 -0.2508748 -0.6962095 -0.2642850 -1.0812466 0.2250273 -0.6394073 0.1959877 -1.5260372 8 F -1.0812466 0.2642850 0.2250273 0.2508748 -1.5075740 0.6962095 0.1959877 0.6394073 -1.5260372 9 F -1.0812466 0.2642850 -0.2250273 0.2508748 -1.5075740 -0.6962095 -0.1959877 -0.6394073 -1.5260372 10 F -1.5075740 -0.2508748 0.6962095 -0.2642850 -1.0812466 -0.2250273 0.6394073 -0.1959877 -1.5260372 11 F -1.5075740 -0.2508748 -0.6962095 -0.2642850 -1.0812466 0.2250273 -0.6394073 0.1959877 -1.5260372 12 F -1.0812466 0.2642850 0.2250273 0.2508748 -1.5075740 0.6962095 0.1959877 0.6394073 -1.5260372----------------------------------------------------------------------------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[ 17, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 33, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000005 (yx) -0.00000005 (yx) 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 07:21:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 07:21:09]-------------------------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: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5]Spacegroup: I4_1/a (88)------------------------------ primitive cell ------------------------------Lattice vectors: a -2.635172220000000 2.635172220000000 5.572725200000000 b 2.635172220000000 -2.635172220000000 5.572725200000000 c 2.635172220000000 2.635172220000000 -5.572725200000000Atomic positions (fractional): 1 Bi 0.50000000000000 0.50000000000000 0.00000000000000 208.980 2 Bi 0.25000000000000 0.75000000000000 0.50000000000000 208.980 3 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 4 Li 0.75000000000000 0.25000000000000 0.50000000000000 6.941 5 F 0.82917660045068 0.89478209331152 0.38526549373056 18.998 6 F 0.64478209331152 0.75951659958095 0.56560549286084 18.998 7 F 0.19391110672011 0.07917660045068 0.43439450713916 18.998 8 F 0.50951659958095 0.44391110672012 0.61473450626944 18.998 9 F 0.92082339954932 0.35521790668848 0.11473450626944 18.998 10 F 0.10521790668848 0.49048340041905 0.93439450713916 18.998 11 F 0.55608889327989 0.17082339954932 0.06560549286084 18.998 12 F 0.24048340041905 0.80608889327988 0.88526549373056 18.998-------------------------------- supercell ---------------------------------Lattice vectors: a 10.540688880000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.540688880000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.145450400000000Atomic positions (fractional): 1 Bi 0.25000000000000 0.25000000000000 0.00000000000000 208.980 > 1 2 Bi 0.75000000000000 0.25000000000000 0.00000000000000 208.980 > 1 3 Bi 0.25000000000000 0.75000000000000 0.00000000000000 208.980 > 1 4 Bi 0.75000000000000 0.75000000000000 0.00000000000000 208.980 > 1 5 Bi 0.25000000000000 0.00000000000000 0.25000000000000 208.980 > 5 6 Bi 0.75000000000000 0.00000000000000 0.25000000000000 208.980 > 5 7 Bi 0.25000000000000 0.50000000000000 0.25000000000000 208.980 > 5 8 Bi 0.75000000000000 0.50000000000000 0.25000000000000 208.980 > 5 9 Bi 0.00000000000000 0.00000000000000 0.50000000000000 208.980 > 1 10 Bi 0.50000000000000 0.00000000000000 0.50000000000000 208.980 > 1 11 Bi 0.00000000000000 0.50000000000000 0.50000000000000 208.980 > 1 12 Bi 0.50000000000000 0.50000000000000 0.50000000000000 208.980 > 1 13 Bi 0.00000000000000 0.25000000000000 0.75000000000000 208.980 > 5 14 Bi 0.50000000000000 0.25000000000000 0.75000000000000 208.980 > 5 15 Bi 0.00000000000000 0.75000000000000 0.75000000000000 208.980 > 5 16 Bi 0.50000000000000 0.75000000000000 0.75000000000000 208.980 > 5 17 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 17 18 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 17 19 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 17 20 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 17 21 Li 0.00000000000000 0.25000000000000 0.25000000000000 6.941 > 21 22 Li 0.50000000000000 0.25000000000000 0.25000000000000 6.941 > 21 23 Li 0.00000000000000 0.75000000000000 0.25000000000000 6.941 > 21 24 Li 0.50000000000000 0.75000000000000 0.25000000000000 6.941 > 21 25 Li 0.25000000000000 0.25000000000000 0.50000000000000 6.941 > 17 26 Li 0.75000000000000 0.25000000000000 0.50000000000000 6.941 > 17 27 Li 0.25000000000000 0.75000000000000 0.50000000000000 6.941 > 17 28 Li 0.75000000000000 0.75000000000000 0.50000000000000 6.941 > 17 29 Li 0.25000000000000 0.00000000000000 0.75000000000000 6.941 > 21 30 Li 0.75000000000000 0.00000000000000 0.75000000000000 6.941 > 21 31 Li 0.25000000000000 0.50000000000000 0.75000000000000 6.941 > 21 32 Li 0.75000000000000 0.50000000000000 0.75000000000000 6.941 > 21 33 F 0.36271774664785 0.32991500021743 0.16934660001582 18.998 > 33 34 F 0.86271774664785 0.32991500021743 0.16934660001582 18.998 > 33 35 F 0.36271774664785 0.82991500021743 0.16934660001582 18.998 > 33 36 F 0.86271774664785 0.82991500021743 0.16934660001582 18.998 > 33 37 F 0.17008499978257 0.11271774664785 0.41934660001582 18.998 > 37 38 F 0.67008499978257 0.11271774664785 0.41934660001582 18.998 > 37 39 F 0.17008499978257 0.61271774664785 0.41934660001582 18.998 > 37 40 F 0.67008499978257 0.61271774664785 0.41934660001582 18.998 > 37 41 F 0.32991500021743 0.38728225335215 0.41934660001582 18.998 > 41 42 F 0.82991500021743 0.38728225335215 0.41934660001582 18.998 > 41 43 F 0.32991500021743 0.88728225335215 0.41934660001582 18.998 > 41 44 F 0.82991500021743 0.88728225335215 0.41934660001582 18.998 > 41 45 F 0.13728225335215 0.17008499978257 0.16934660001582 18.998 > 45 46 F 0.63728225335215 0.17008499978257 0.16934660001582 18.998 > 45 47 F 0.13728225335215 0.67008499978257 0.16934660001582 18.998 > 45 48 F 0.63728225335215 0.67008499978257 0.16934660001582 18.998 > 45 49 F 0.13728225335215 0.42008499978257 0.08065339998418 18.998 > 49 50 F 0.63728225335215 0.42008499978257 0.08065339998418 18.998 > 49 51 F 0.13728225335215 0.92008499978257 0.08065339998418 18.998 > 49 52 F 0.63728225335215 0.92008499978257 0.08065339998418 18.998 > 49 53 F 0.07991500021743 0.38728225335215 0.33065339998418 18.998 > 53 54 F 0.57991500021743 0.38728225335215 0.33065339998418 18.998 > 53 55 F 0.07991500021743 0.88728225335215 0.33065339998418 18.998 > 53 56 F 0.57991500021743 0.88728225335215 0.33065339998418 18.998 > 53 57 F 0.42008499978257 0.11271774664785 0.33065339998418 18.998 > 57 58 F 0.92008499978257 0.11271774664785 0.33065339998418 18.998 > 57 59 F 0.42008499978257 0.61271774664785 0.33065339998418 18.998 > 57 60 F 0.92008499978257 0.61271774664785 0.33065339998418 18.998 > 57 61 F 0.36271774664785 0.07991500021743 0.08065339998418 18.998 > 61 62 F 0.86271774664785 0.07991500021743 0.08065339998418 18.998 > 61 63 F 0.36271774664785 0.57991500021743 0.08065339998418 18.998 > 61 64 F 0.86271774664785 0.57991500021743 0.08065339998418 18.998 > 61 65 F 0.11271774664785 0.07991500021743 0.66934660001582 18.998 > 33 66 F 0.61271774664785 0.07991500021743 0.66934660001582 18.998 > 33 67 F 0.11271774664785 0.57991500021743 0.66934660001582 18.998 > 33 68 F 0.61271774664785 0.57991500021743 0.66934660001582 18.998 > 33 69 F 0.42008499978257 0.36271774664785 0.91934660001582 18.998 > 37 70 F 0.92008499978257 0.36271774664785 0.91934660001582 18.998 > 37 71 F 0.42008499978257 0.86271774664785 0.91934660001582 18.998 > 37 72 F 0.92008499978257 0.86271774664785 0.91934660001582 18.998 > 37 73 F 0.07991500021743 0.13728225335215 0.91934660001582 18.998 > 41 74 F 0.57991500021743 0.13728225335215 0.91934660001582 18.998 > 41 75 F 0.07991500021743 0.63728225335215 0.91934660001582 18.998 > 41 76 F 0.57991500021743 0.63728225335215 0.91934660001582 18.998 > 41 77 F 0.38728225335215 0.42008499978257 0.66934660001582 18.998 > 45 78 F 0.88728225335215 0.42008499978257 0.66934660001582 18.998 > 45 79 F 0.38728225335215 0.92008499978257 0.66934660001582 18.998 > 45 80 F 0.88728225335215 0.92008499978257 0.66934660001582 18.998 > 45 81 F 0.38728225335215 0.17008499978257 0.58065339998418 18.998 > 49 82 F 0.88728225335215 0.17008499978257 0.58065339998418 18.998 > 49 83 F 0.38728225335215 0.67008499978257 0.58065339998418 18.998 > 49 84 F 0.88728225335215 0.67008499978257 0.58065339998418 18.998 > 49 85 F 0.32991500021743 0.13728225335215 0.83065339998418 18.998 > 53 86 F 0.82991500021743 0.13728225335215 0.83065339998418 18.998 > 53 87 F 0.32991500021743 0.63728225335215 0.83065339998418 18.998 > 53 88 F 0.82991500021743 0.63728225335215 0.83065339998418 18.998 > 53 89 F 0.17008499978257 0.36271774664785 0.83065339998418 18.998 > 57 90 F 0.67008499978257 0.36271774664785 0.83065339998418 18.998 > 57 91 F 0.17008499978257 0.86271774664785 0.83065339998418 18.998 > 57 92 F 0.67008499978257 0.86271774664785 0.83065339998418 18.998 > 57 93 F 0.11271774664785 0.32991500021743 0.58065339998418 18.998 > 61 94 F 0.61271774664785 0.32991500021743 0.58065339998418 18.998 > 61 95 F 0.11271774664785 0.82991500021743 0.58065339998418 18.998 > 61 96 F 0.61271774664785 0.82991500021743 0.58065339998418 18.998 > 61----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 2.8104344 0.0000002 0.0000000 -0.0000002 2.8104344 0.0000000 0.0000000 0.0000000 3.1141946-------------------------- Born effective charges -------------------------- 1 Bi 3.9222515 -0.0396884 0.0000000 0.0396884 3.9222515 0.0000000 0.0000000 0.0000000 5.1209787 2 Bi 3.9222515 -0.0396884 0.0000000 0.0396884 3.9222515 0.0000000 0.0000000 0.0000000 5.1209787 3 Li 1.2553898 0.0128682 0.0000000 -0.0128682 1.2553898 0.0000000 0.0000000 0.0000000 0.9831700 4 Li 1.2553898 0.0128682 0.0000000 -0.0128682 1.2553898 0.0000000 0.0000000 0.0000000 0.9831700 5 F -1.0812466 0.2642850 -0.2250273 0.2508748 -1.5075740 -0.6962095 -0.1959877 -0.6394073 -1.5260372 6 F -1.5075740 -0.2508748 0.6962095 -0.2642850 -1.0812466 -0.2250273 0.6394073 -0.1959877 -1.5260372 7 F -1.5075740 -0.2508748 -0.6962095 -0.2642850 -1.0812466 0.2250273 -0.6394073 0.1959877 -1.5260372 8 F -1.0812466 0.2642850 0.2250273 0.2508748 -1.5075740 0.6962095 0.1959877 0.6394073 -1.5260372 9 F -1.0812466 0.2642850 -0.2250273 0.2508748 -1.5075740 -0.6962095 -0.1959877 -0.6394073 -1.5260372 10 F -1.5075740 -0.2508748 0.6962095 -0.2642850 -1.0812466 -0.2250273 0.6394073 -0.1959877 -1.5260372 11 F -1.5075740 -0.2508748 -0.6962095 -0.2642850 -1.0812466 0.2250273 -0.6394073 0.1959877 -1.5260372 12 F -1.0812466 0.2642850 0.2250273 0.2508748 -1.5075740 0.6962095 0.1959877 0.6394073 -1.5260372----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz)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 ... Generalized regular grid: [ 1 9 72 ]Grid generation matrix: [ 0 9 9 ] [ 9 0 9 ] [ 4 4 0 ]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: 0.77, Number of G-points: 297, Lambda: 0.14Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/105) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.870 ( 0.000 -0.000 -0.000) 0.000 2.870 ( -0.000 0.000 0.000) 0.000 3.037 ( 0.000 0.000 0.000) 0.000 3.037 ( 0.000 -0.000 0.000) 0.000 3.614 ( 0.000 -0.000 0.000) 0.000 3.853 ( -0.000 0.000 -0.000) 0.000 4.038 ( 0.000 0.000 0.000) 0.000 4.038 ( 0.000 0.000 0.000) 0.000 4.234 ( 0.000 0.000 -0.000) 0.000 5.411 ( 0.000 0.000 0.000) 0.000 5.699 ( -0.000 0.000 0.000) 0.000 5.918 ( 0.000 0.000 0.000) 0.000 6.503 ( 0.000 0.000 0.000) 0.000 6.503 ( -0.000 0.000 -0.000) 0.000 7.545 ( 0.000 0.000 0.000) 0.000 7.545 ( 0.000 0.000 0.000) 0.000 7.621 ( -0.000 0.000 0.000) 0.000 8.030 ( 0.000 0.000 0.000) 0.000 8.533 ( 0.000 -0.000 -0.000) 0.000 8.533 ( 0.000 0.000 0.000) 0.000 8.704 ( 0.000 0.000 0.000) 0.000 9.393 ( 0.000 0.000 -0.000) 0.000 9.393 ( 0.000 -0.000 -0.000) 0.000 10.021 ( 0.000 0.000 -0.000) 0.000 10.193 ( -0.000 -0.000 -0.000) 0.000 10.725 ( 0.000 -0.000 -0.000) 0.000 11.693 ( 0.000 0.000 0.000) 0.000 11.894 ( 0.000 0.000 0.000) 0.000 12.671 ( 0.000 0.000 0.000) 0.000 12.777 ( 0.000 0.000 0.000) 0.000 12.777 ( 0.000 0.000 -0.000) 0.000 13.220 ( 0.000 0.000 0.000) 0.000 13.220 ( -0.000 0.000 0.000) 0.000======================= Grid point 1 (2/105) =======================q-point: ( 0.00 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.598 ( 14.176 14.276 0.000) 20.119 0.609 ( 8.802 18.631 0.000) 20.605 1.095 ( 24.525 19.391 0.000) 31.265 2.830 ( -4.102 -0.135 -0.000) 4.105 2.943 ( 4.169 0.361 0.000) 4.185 3.115 ( 7.545 -1.450 0.000) 7.683 3.399 ( -0.755 7.982 -0.000) 8.017 3.660 ( 1.851 1.846 0.000) 2.614 3.740 ( -5.241 -7.137 -0.000) 8.854 3.941 ( 3.967 5.564 0.000) 6.834 4.098 ( 0.605 3.313 0.000) 3.368 4.476 ( 5.677 4.396 0.000) 7.180 5.349 ( -2.643 -2.690 -0.000) 3.771 5.793 ( -4.893 0.247 -0.000) 4.900 5.872 ( 6.546 2.229 0.000) 6.915 6.560 ( 4.499 -0.666 0.000) 4.548 7.357 ( -6.159 -12.173 -0.000) 13.643 7.511 ( -5.307 2.092 -0.000) 5.704 7.555 ( -4.352 -2.523 -0.000) 5.031 7.923 ( -5.452 1.054 -0.000) 5.553 8.344 ( -1.956 3.349 -0.000) 3.879 8.549 ( 6.089 -5.757 0.000) 8.380 8.609 ( -1.712 -1.198 -0.000) 2.090 9.032 ( -4.743 -20.576 -0.000) 21.115 9.498 ( -6.452 13.184 -0.000) 14.678 9.578 ( -1.794 3.968 -0.000) 4.355 9.921 ( -3.963 -5.344 -0.000) 6.653 10.457 ( 13.343 2.161 0.000) 13.517 10.836 ( 1.945 7.808 0.000) 8.047 11.612 ( -2.278 -4.279 -0.000) 4.848 11.861 ( -2.625 -0.098 -0.000) 2.627 12.477 ( -4.195 -6.322 -0.000) 7.587 12.875 ( 4.887 2.858 0.000) 5.661 13.205 ( -0.790 -0.885 -0.000) 1.187 13.406 ( 4.501 6.043 0.000) 7.535 16.213 ( -3.516 -3.897 -0.000) 5.249======================= Grid point 2 (3/105) =======================q-point: ( 0.00 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.125 ( 8.034 12.816 0.000) 15.126 1.138 ( 9.742 10.820 0.000) 14.560 1.790 ( 11.710 11.154 0.000) 16.172 2.710 ( -4.508 -0.963 -0.000) 4.610 2.962 ( -0.496 -2.144 -0.000) 2.201 3.248 ( 3.289 3.904 0.000) 5.105 3.507 ( 4.798 -5.748 0.000) 7.487 3.687 ( 5.347 0.822 0.000) 5.410 3.747 ( -1.502 5.368 -0.000) 5.574 4.096 ( -3.383 -2.671 -0.000) 4.310 4.307 ( 9.977 13.087 0.000) 16.457 4.611 ( 1.175 2.609 0.000) 2.861 5.227 ( -2.352 -2.639 -0.000) 3.535 5.567 ( -8.522 -3.836 -0.000) 9.346 6.174 ( 6.650 6.102 0.000) 9.025 6.575 ( 4.315 -8.114 0.000) 9.190 6.853 ( -13.313 -9.985 -0.000) 16.641 7.355 ( -8.162 -0.880 -0.000) 8.209 7.461 ( 2.376 -2.277 0.000) 3.291 7.953 ( -8.119 10.402 -0.000) 13.195 8.404 ( 3.467 4.681 0.000) 5.825 8.492 ( -1.018 -22.994 0.000) 23.017 8.539 ( 9.624 -9.020 0.000) 13.190 8.725 ( 2.844 9.871 0.000) 10.273 9.595 ( -8.103 -2.012 -0.000) 8.349 9.596 ( -11.532 13.830 -0.000) 18.007 9.766 ( 4.077 1.923 0.000) 4.508 10.728 ( 17.259 -6.001 0.000) 18.272 10.994 ( -6.793 8.199 -0.000) 10.647 11.456 ( 0.121 -8.258 0.000) 8.259 11.789 ( -7.861 3.879 -0.000) 8.766 12.437 ( 9.480 -0.980 0.000) 9.531 13.034 ( 4.872 1.394 0.000) 5.067 13.126 ( -2.234 -4.415 -0.000) 4.948 13.522 ( -4.650 4.698 -0.000) 6.611 15.913 ( -10.258 -11.659 -0.000) 15.529======================= Grid point 3 (4/105) =======================q-point: ( 0.00 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.424 ( 2.728 5.081 0.000) 5.767 1.467 ( 5.540 5.728 0.000) 7.969 2.111 ( 1.878 6.670 0.000) 6.930 2.581 ( -6.107 -3.068 -0.000) 6.835 2.928 ( -0.490 1.652 -0.000) 1.723 3.346 ( 1.852 -14.523 0.000) 14.641 3.461 ( 4.975 8.263 0.000) 9.645 3.780 ( -5.153 4.154 -0.000) 6.619 3.860 ( -3.260 -9.515 -0.000) 10.058 3.886 ( 6.283 3.208 0.000) 7.055 4.680 ( -1.743 5.865 -0.000) 6.118 4.702 ( 6.642 5.119 0.000) 8.386 5.178 ( 1.396 -1.377 0.000) 1.961 5.318 ( -8.955 -1.452 -0.000) 9.072 6.130 ( -6.693 -6.744 -0.000) 9.502 6.401 ( -1.214 -10.871 -0.000) 10.939 6.750 ( 4.044 7.144 0.000) 8.209 7.261 ( -5.086 5.098 -0.000) 7.201 7.509 ( 8.219 -6.472 0.000) 10.461 7.828 ( -16.366 3.963 -0.000) 16.839 8.116 ( 6.272 -14.275 0.000) 15.592 8.492 ( 3.407 -5.681 0.000) 6.624 8.878 ( 18.396 9.865 0.000) 20.874 9.053 ( 1.701 13.848 0.000) 13.952 9.352 ( -1.922 -6.101 -0.000) 6.397 9.620 ( -10.890 12.205 -0.000) 16.357 10.081 ( 10.201 11.851 0.000) 15.637 10.882 ( -12.188 2.658 -0.000) 12.474 10.951 ( 14.725 -5.723 0.000) 15.799 11.236 ( -0.473 -13.149 0.000) 13.158 11.720 ( -11.342 9.721 -0.000) 14.938 12.649 ( 12.221 -17.385 0.000) 21.251 12.976 ( 1.439 1.951 0.000) 2.425 13.122 ( 3.210 -1.025 0.000) 3.370 13.484 ( -11.789 12.325 -0.000) 17.055 15.297 ( -15.937 -19.394 -0.000) 25.102======================= Grid point 4 (5/105) =======================q-point: ( 0.00 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.543 ( 1.203 3.246 0.000) 3.461 1.594 ( 1.093 -0.163 0.000) 1.105 2.212 ( -0.191 3.600 -0.000) 3.605 2.350 ( -5.231 -5.081 -0.000) 7.293 2.966 ( -3.800 5.915 -0.000) 7.031 3.080 ( 2.232 -12.156 0.000) 12.359 3.685 ( 2.450 -4.438 0.000) 5.069 3.723 ( -5.372 1.865 -0.000) 5.686 3.769 ( 4.268 9.806 0.000) 10.694 3.974 ( 0.815 -4.293 0.000) 4.370 4.810 ( -3.109 9.050 -0.000) 9.569 4.841 ( 5.802 -3.105 0.000) 6.581 5.183 ( 3.476 -3.378 0.000) 4.847 5.186 ( -5.000 3.565 -0.000) 6.140 5.929 ( 1.185 -3.224 0.000) 3.435 6.098 ( -7.457 -7.411 -0.000) 10.513 7.035 ( 6.969 7.356 0.000) 10.133 7.268 ( -4.643 1.313 -0.000) 4.825 7.472 ( 8.685 -11.470 0.000) 14.387 7.529 ( -15.502 3.704 -0.000) 15.939 8.186 ( 13.076 -2.852 0.000) 13.383 8.387 ( -7.208 -0.196 -0.000) 7.211 9.253 ( -7.400 10.000 -0.000) 12.440 9.254 ( 8.982 -8.125 0.000) 12.112 9.467 ( 15.313 5.066 0.000) 16.129 9.681 ( -8.217 9.286 -0.000) 12.400 10.664 ( 13.681 15.147 0.000) 20.411 10.712 ( -5.499 3.377 -0.000) 6.453 10.901 ( -0.963 -14.383 0.000) 14.415 11.048 ( 1.057 -4.240 0.000) 4.369 11.759 ( -10.163 17.376 -0.000) 20.130 12.153 ( -0.551 -28.317 0.000) 28.322 13.137 ( 2.346 0.002 0.000) 2.346 13.144 ( 1.949 -1.564 0.000) 2.499 13.779 ( 4.673 23.407 0.000) 23.869 14.502 ( -15.130 -22.847 -0.000) 27.403======================= Grid point 9 (6/105) =======================q-point: (-0.24 -0.01 0.01)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.778 ( -3.147 -11.611 -9.474) 15.312 1.022 ( -1.951 -12.836 -10.174) 16.495 1.787 ( 1.488 -24.009 -16.403) 29.115 2.599 ( -1.353 3.017 13.396) 13.798 2.794 ( 2.756 -3.091 8.329) 9.302 3.296 ( 3.579 -4.504 -6.725) 8.850 3.448 ( -0.720 -4.748 1.340) 4.986 3.613 ( -4.250 -5.295 0.339) 6.798 3.921 ( 5.078 -0.707 -3.027) 5.953 4.116 ( -8.427 -3.100 -4.211) 9.917 4.255 ( 4.149 -4.536 -12.055) 13.531 4.859 ( -0.648 12.711 -24.447) 27.562 5.265 ( -0.106 3.029 3.542) 4.662 5.689 ( -0.117 5.886 3.731) 6.970 6.069 ( -0.765 -9.658 -4.677) 10.759 6.416 ( 2.041 -2.190 3.126) 4.329 7.069 ( 2.366 18.881 -7.322) 20.389 7.476 ( -2.318 3.617 4.168) 5.985 7.677 ( -8.696 2.086 7.157) 11.454 7.876 ( 10.030 -3.788 0.803) 10.752 8.024 ( 0.969 -0.761 11.176) 11.243 8.514 ( -1.760 -1.018 -4.921) 5.325 8.754 ( 8.336 -1.378 3.515) 9.151 9.044 ( -4.935 1.343 -4.478) 6.798 9.254 ( -10.179 0.546 5.381) 11.527 9.736 ( -1.228 12.660 -0.926) 12.753 10.021 ( 6.213 3.363 -11.506) 13.502 10.606 ( 1.151 -5.054 -1.736) 5.467 11.050 ( -2.523 1.219 -5.786) 6.429 11.478 ( 1.737 3.662 3.818) 5.568 11.855 ( -1.914 3.263 0.450) 3.809 12.418 ( 0.493 10.913 -7.109) 13.033 12.820 ( 1.802 -0.721 -1.818) 2.659 13.193 ( 0.630 0.875 -0.541) 1.207 13.623 ( -1.175 -9.633 -5.961) 11.389 15.929 ( 0.296 -6.366 21.153) 22.092======================= Grid point 10 (7/105) =======================q-point: (-0.24 -0.01 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.737 ( 9.771 -8.965 -13.672) 19.047 0.837 ( 12.939 -8.197 -12.693) 19.892 1.429 ( 12.267 -14.910 -26.309) 32.634 2.640 ( 1.941 1.557 11.570) 11.834 2.733 ( 0.877 -5.670 13.682) 14.836 3.252 ( -1.196 -4.307 -4.883) 6.620 3.353 ( 7.859 -2.880 -1.514) 8.506 3.634 ( 2.264 1.666 0.785) 2.918 3.835 ( -5.473 0.555 -4.674) 7.219 4.071 ( 4.362 1.470 -6.688) 8.118 4.253 ( 4.896 -8.538 -6.720) 11.917 5.084 ( -15.661 16.709 -31.146) 38.660 5.298 ( -1.822 1.970 4.557) 5.288 5.764 ( -5.114 4.532 3.577) 7.712 5.942 ( 4.667 -4.255 -7.987) 10.182 6.460 ( 3.183 -3.539 8.075) 9.374 7.339 ( -10.800 -0.719 4.710) 11.804 7.446 ( -2.349 8.143 -0.995) 8.534 7.591 ( -1.960 8.493 2.636) 9.106 7.938 ( 6.135 -1.480 -2.110) 6.655 7.979 ( 1.516 -9.569 14.093) 17.102 8.520 ( 3.406 4.579 -0.010) 5.707 8.635 ( -4.540 -5.766 -3.378) 8.079 8.989 ( -8.558 9.280 -1.111) 12.672 9.498 ( 11.562 5.329 -0.432) 12.738 9.810 ( -6.410 3.010 3.795) 8.034 10.019 ( -9.475 -4.031 -8.393) 13.284 10.503 ( 11.073 -6.811 1.418) 13.077 11.207 ( -17.754 19.101 -28.428) 38.578 11.461 ( -2.704 1.804 9.975) 10.492 11.877 ( -2.236 3.592 -2.187) 4.763 12.583 ( -7.345 7.540 -6.463) 12.352 12.894 ( 2.275 -4.326 -1.435) 5.094 13.210 ( -0.407 -0.346 -0.211) 0.574 13.479 ( 7.095 -6.353 -6.962) 11.797 15.755 ( 10.316 -10.455 29.514) 32.966======================= Grid point 12 (8/105) =======================q-point: (-0.24 -0.01 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.078 ( 8.567 9.054 -5.539) 13.640 1.298 ( 10.947 2.188 -3.108) 11.588 2.166 ( 11.793 -3.368 -5.371) 13.389 2.542 ( -4.300 2.843 6.795) 8.529 2.862 ( 1.247 1.508 3.041) 3.616 3.310 ( -3.822 -0.606 -10.995) 11.656 3.660 ( 9.106 -3.506 9.335) 13.504 3.732 ( 10.348 0.321 -0.851) 10.388 4.004 ( -1.017 3.714 -0.169) 3.855 4.020 ( 3.358 -7.597 -0.066) 8.306 4.459 ( 1.922 8.983 -11.045) 14.366 4.719 ( -0.909 0.733 -16.024) 16.067 5.198 ( -1.626 -0.659 1.129) 2.086 5.500 ( -5.287 -6.241 0.770) 8.216 6.189 ( -0.765 0.254 2.187) 2.331 6.645 ( 4.313 3.623 -2.218) 6.054 6.721 ( -8.181 2.480 -7.179) 11.163 7.239 ( -4.485 -8.405 6.894) 11.760 7.481 ( -1.545 -5.662 5.191) 7.835 8.066 ( 2.032 1.101 -11.283) 11.517 8.200 ( 4.533 7.590 13.148) 15.843 8.587 ( 5.876 3.382 0.836) 6.831 8.675 ( -4.346 -7.186 4.595) 9.573 8.951 ( 4.128 -3.666 -0.553) 5.549 9.232 ( -0.228 -1.237 -1.408) 1.888 9.449 ( -11.058 0.369 0.538) 11.077 9.924 ( -4.175 3.717 -14.606) 15.639 10.731 ( -5.298 3.824 -1.725) 6.758 11.074 ( 7.078 -1.930 8.391) 11.146 11.444 ( -3.511 0.589 -2.820) 4.542 11.687 ( 0.048 -8.538 6.034) 10.455 12.360 ( -1.680 9.436 -0.750) 9.614 12.946 ( -0.158 5.922 0.781) 5.976 13.193 ( -0.453 0.883 -1.511) 1.808 13.687 ( 2.531 -6.298 -10.256) 12.299 15.863 ( -3.170 -9.968 11.794) 15.764======================= Grid point 13 (9/105) =======================q-point: (-0.24 -0.01 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.398 ( 5.655 4.681 -0.822) 7.387 1.553 ( 6.099 6.437 -3.260) 9.448 2.177 ( -1.008 -4.196 0.836) 4.395 2.482 ( -4.425 -0.541 -2.279) 5.006 2.906 ( -1.093 -0.472 -0.924) 1.507 3.265 ( -4.492 6.415 -4.601) 9.083 3.686 ( 0.315 -12.073 4.638) 12.937 3.752 ( 8.199 -4.697 5.456) 10.911 3.923 ( 1.240 -5.432 -2.564) 6.133 4.080 ( 2.232 0.016 4.892) 5.377 4.683 ( 2.712 7.646 -3.580) 8.867 4.820 ( 4.422 3.015 -15.270) 16.180 5.173 ( -2.614 -1.390 1.464) 3.303 5.255 ( -2.503 -3.953 -2.915) 5.512 6.090 ( -2.577 -2.064 0.580) 3.352 6.559 ( -2.198 -2.194 2.802) 4.183 6.858 ( 5.674 -9.549 0.921) 11.146 7.082 ( -1.502 6.976 -6.994) 9.992 7.353 ( -0.761 -5.344 10.910) 12.172 8.157 ( 8.044 -3.842 -10.752) 13.967 8.321 ( -5.512 -1.418 11.891) 13.183 8.414 ( -2.911 -3.166 8.725) 9.728 8.836 ( 0.060 -0.628 -4.667) 4.710 8.950 ( 3.757 8.998 0.797) 9.783 9.329 ( 4.148 10.970 -4.642) 12.613 9.443 ( 6.146 3.150 0.150) 6.908 10.071 ( 1.372 9.246 -3.032) 9.827 10.591 ( -8.375 2.595 -5.219) 10.203 11.128 ( -10.338 4.958 4.033) 12.154 11.295 ( -0.216 -7.911 2.743) 8.376 11.555 ( 5.005 -9.031 0.285) 10.329 12.722 ( 3.196 18.250 6.387) 19.598 12.959 ( -0.826 -4.948 4.900) 7.013 13.182 ( -2.593 -0.923 -1.255) 3.025 13.541 ( 3.682 -7.296 -15.925) 17.900 15.411 ( -7.456 -20.546 6.261) 22.736======================= Grid point 14 (10/105) =======================q-point: ( 0.76 -0.01 -0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.563 ( 4.839 1.036 1.744) 5.247 1.751 ( 2.596 0.879 -2.678) 3.832 2.089 ( -1.426 3.014 2.220) 4.006 2.357 ( -1.392 -4.910 -4.500) 6.804 2.792 ( -7.274 2.351 -1.773) 7.848 3.341 ( -3.577 6.562 -3.238) 8.145 3.398 ( -4.461 -7.814 3.965) 9.833 3.809 ( 6.597 -3.421 1.217) 7.530 3.916 ( 7.230 -6.275 1.897) 9.760 4.079 ( 2.871 -4.440 6.563) 8.428 4.856 ( -2.507 -1.703 -10.577) 11.002 4.910 ( 4.937 4.654 0.629) 6.814 5.112 ( -0.517 4.022 -4.346) 5.944 5.260 ( 1.645 0.437 -0.545) 1.787 6.036 ( 4.321 -5.733 2.795) 7.704 6.358 ( 0.762 -13.538 -2.350) 13.761 6.828 ( 1.383 3.064 7.534) 8.250 7.163 ( 0.552 -7.989 9.316) 12.285 7.323 ( 1.315 8.552 -8.626) 12.217 7.969 ( -4.997 -8.441 -0.622) 9.829 8.132 ( -4.456 -2.730 2.056) 5.615 8.523 ( 9.498 -2.414 1.638) 9.936 8.866 ( -6.491 7.826 0.134) 10.168 9.225 ( 2.588 10.929 5.923) 12.697 9.573 ( 3.907 4.197 -1.415) 5.906 9.661 ( 1.547 -2.891 -2.707) 4.252 10.328 ( -1.226 18.144 0.799) 18.203 10.707 ( -1.618 3.371 -4.528) 5.872 10.872 ( -5.734 7.261 1.230) 9.333 11.176 ( -0.868 -6.439 2.074) 6.820 11.460 ( 0.230 -5.413 -3.496) 6.448 12.545 ( -7.168 -16.105 1.211) 17.669 13.032 ( -4.961 6.131 -0.230) 7.890 13.217 ( 2.708 2.498 -1.045) 3.830 13.756 ( 18.397 5.819 -1.309) 19.340 14.785 ( -4.300 -23.766 0.836) 24.167======================= Grid point 16 (11/105) =======================q-point: ( 0.76 -0.01 -0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.584 ( -0.603 -1.427 3.773) 4.078 1.786 ( 4.628 -5.278 -2.679) 7.513 2.189 ( 0.001 1.288 4.291) 4.480 2.326 ( 3.707 5.146 -2.026) 6.658 2.798 ( -4.372 7.069 -3.959) 9.207 3.195 ( -0.571 -3.094 -4.816) 5.753 3.463 ( -0.650 8.109 0.632) 8.160 3.796 ( 0.528 -7.572 3.800) 8.488 3.947 ( 7.235 -2.175 4.478) 8.782 4.010 ( 2.783 -8.348 2.970) 9.288 4.773 ( -4.035 0.576 -5.984) 7.240 5.026 ( -0.962 2.920 -2.711) 4.099 5.197 ( 3.584 -2.598 -2.016) 4.864 5.326 ( 3.702 0.562 -0.123) 3.746 5.968 ( 4.779 -5.815 -0.231) 7.531 6.258 ( 6.853 -2.985 -2.980) 8.047 6.931 ( -1.675 -0.788 10.847) 11.004 7.065 ( 4.786 1.123 3.680) 6.141 7.467 ( -0.564 0.227 -1.041) 1.205 7.868 ( 0.314 2.902 -3.776) 4.773 8.005 ( -0.794 -2.170 -4.006) 4.624 8.488 ( 0.601 -6.893 2.963) 7.527 8.966 ( 0.005 4.441 0.469) 4.466 9.183 ( -12.592 -2.613 1.600) 12.960 9.554 ( -3.094 -3.535 -1.646) 4.978 9.826 ( 6.239 7.736 9.373) 13.661 10.335 ( -18.516 0.680 3.234) 18.809 10.677 ( -4.026 8.930 -8.753) 13.137 10.903 ( -0.576 -5.178 -4.776) 7.068 11.137 ( 5.078 -8.162 4.503) 10.615 11.581 ( 2.769 14.873 3.388) 15.503 12.249 ( 1.917 -2.900 -9.774) 10.374 13.011 ( -3.761 0.852 1.935) 4.315 13.202 ( -1.544 -3.395 -3.473) 5.097 14.092 ( 2.293 -10.119 10.194) 14.545 14.635 ( 22.934 4.175 -5.589) 23.971======================= Grid point 18 (12/105) =======================q-point: (-0.24 -0.01 -0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.532 ( -0.358 -3.988 0.554) 4.042 1.630 ( -3.659 -10.549 -3.158) 11.603 2.207 ( 0.662 0.282 6.245) 6.286 2.559 ( 0.411 7.786 -0.633) 7.822 2.763 ( -2.075 -2.664 1.119) 3.557 3.246 ( 0.568 5.106 -11.814) 12.882 3.525 ( 1.749 -5.297 6.558) 8.610 3.767 ( 2.002 0.030 -3.555) 4.080 3.917 ( 3.080 0.866 4.029) 5.144 4.039 ( 6.898 -4.254 0.491) 8.119 4.667 ( -7.117 -0.589 -4.676) 8.536 5.026 ( -0.468 -6.213 -5.011) 7.996 5.123 ( 0.267 -0.538 -2.082) 2.167 5.444 ( 5.365 0.470 1.868) 5.700 6.125 ( 6.119 6.163 -3.843) 9.497 6.361 ( 2.718 1.505 -3.695) 4.827 6.783 ( -2.106 -6.295 4.372) 7.948 7.325 ( 9.650 3.446 5.049) 11.423 7.408 ( -1.260 1.188 3.859) 4.230 7.742 ( -4.387 -2.332 -2.574) 5.595 8.137 ( -1.334 4.112 -1.237) 4.497 8.460 ( 3.798 -3.060 1.557) 5.120 8.738 ( -0.867 -7.004 -4.265) 8.246 9.190 ( -0.402 7.828 3.754) 8.691 9.284 ( -7.328 -8.535 -3.691) 11.839 9.938 ( -18.401 0.697 6.441) 19.508 10.004 ( 5.147 -3.848 4.127) 7.637 10.607 ( -6.743 1.827 -9.544) 11.828 10.963 ( 1.758 3.973 2.870) 5.207 11.179 ( 8.095 0.500 1.234) 8.204 11.786 ( 0.778 2.605 7.740) 8.204 12.346 ( -5.739 6.075 -12.637) 15.151 12.937 ( -0.798 -0.254 2.653) 2.782 13.112 ( -0.834 -1.296 -3.343) 3.681 13.919 ( 3.918 -9.267 0.842) 10.096 15.329 ( 21.451 9.948 3.778) 23.946======================= Grid point 19 (13/105) =======================q-point: (-0.24 -0.01 -0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.218 ( -10.326 -12.302 -2.625) 16.275 1.347 ( -3.685 -10.193 -4.756) 11.836 2.153 ( 2.795 -12.218 -6.004) 13.898 2.569 ( -5.248 4.058 13.535) 15.073 2.766 ( 2.939 -0.198 0.495) 2.987 3.328 ( -0.987 1.396 -11.574) 11.699 3.476 ( 5.967 -6.233 6.083) 10.557 3.760 ( 2.041 -1.315 -1.850) 3.052 3.936 ( 0.283 -7.312 1.699) 7.512 4.195 ( 3.383 4.549 -6.025) 8.273 4.420 ( -9.052 -4.883 -8.889) 13.594 4.809 ( -3.684 -5.022 -11.224) 12.836 5.187 ( 1.215 2.818 1.317) 3.339 5.561 ( 3.114 2.674 4.729) 6.262 6.257 ( -2.042 -0.920 -1.916) 2.948 6.446 ( 1.984 -2.427 -5.598) 6.415 6.710 ( -0.878 9.703 -4.878) 10.895 7.407 ( 2.730 1.503 3.708) 4.844 7.654 ( 14.859 -1.663 10.063) 18.023 7.759 ( -5.569 7.672 6.899) 11.724 7.988 ( -5.410 0.029 -0.526) 5.436 8.473 ( 3.638 -0.053 -1.633) 3.988 8.792 ( 1.699 -6.575 -2.897) 7.383 9.009 ( 6.212 -5.126 -11.999) 14.451 9.435 ( 0.206 11.573 6.772) 13.410 9.608 ( -17.518 3.366 4.637) 18.431 9.934 ( 2.044 -5.280 -1.157) 5.779 10.572 ( -0.576 2.552 -9.885) 10.225 11.100 ( 1.594 2.505 9.679) 10.124 11.356 ( 6.688 -0.813 0.266) 6.743 11.806 ( -1.019 1.630 4.977) 5.335 12.281 ( -4.798 4.662 -9.361) 11.506 12.893 ( -4.990 0.070 -0.328) 5.002 13.143 ( 1.546 1.893 -2.404) 3.428 13.813 ( 1.066 -7.418 -3.598) 8.313 15.835 ( 10.881 4.194 10.828) 15.913======================= Grid point 20 (14/105) =======================q-point: (-0.47 -0.03 0.03)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.291 ( -0.707 -2.598 -4.108) 4.912 1.535 ( -0.926 -4.124 -1.676) 4.547 2.101 ( 2.186 3.384 3.293) 5.203 2.544 ( -1.893 -4.269 0.382) 4.686 2.838 ( 1.174 -1.809 1.351) 2.544 3.415 ( 1.569 -1.627 6.678) 7.050 3.743 ( -0.001 -5.615 -4.661) 7.297 3.869 ( 2.181 3.887 -3.250) 5.516 3.936 ( -1.475 -0.026 -1.691) 2.244 4.194 ( -3.502 -0.108 -0.108) 3.505 4.513 ( 0.214 0.630 -1.873) 1.987 4.937 ( -0.216 -0.076 -2.352) 2.363 5.171 ( 0.617 -0.392 0.122) 0.741 5.491 ( 0.868 0.323 1.128) 1.460 6.250 ( -0.571 0.183 0.217) 0.637 6.647 ( 4.120 -4.276 14.206) 15.398 6.770 ( -3.979 8.545 -18.569) 20.825 7.150 ( -1.472 0.620 1.134) 1.959 7.484 ( -0.809 1.074 -0.325) 1.384 7.829 ( 1.960 -1.991 0.764) 2.896 8.208 ( 5.402 -0.220 -2.385) 5.909 8.689 ( 4.139 -3.179 -1.495) 5.429 8.776 ( -9.405 -4.502 -0.622) 10.445 8.939 ( -1.299 6.571 5.640) 8.757 9.226 ( 0.338 1.968 0.030) 1.997 9.388 ( -0.507 0.477 -3.081) 3.159 9.954 ( 0.196 4.420 -2.056) 4.879 10.636 ( 1.816 -2.226 4.169) 5.063 10.893 ( 1.071 2.046 2.460) 3.374 11.574 ( 2.469 -2.566 -0.844) 3.660 11.619 ( -4.063 3.449 -1.249) 5.474 12.293 ( -0.779 1.258 -0.597) 1.595 12.876 ( 0.291 -0.078 -0.531) 0.611 13.176 ( 0.133 0.480 -0.339) 0.603 13.980 ( 0.648 -0.918 -2.059) 2.345 15.746 ( -0.087 -1.783 4.259) 4.618======================= Grid point 21 (15/105) =======================q-point: (-0.47 -0.03 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.306 ( 8.967 -4.223 -13.913) 17.082 1.386 ( 1.222 -6.840 -5.197) 8.677 2.266 ( -3.421 -0.626 -2.301) 4.170 2.367 ( 5.353 -2.158 7.769) 9.679 2.764 ( -0.416 -7.806 5.953) 9.826 3.377 ( -0.376 -3.861 10.827) 11.501 3.527 ( -8.104 -5.991 -4.833) 11.177 3.842 ( 0.689 -2.110 -5.056) 5.521 4.035 ( -3.678 -1.987 -3.133) 5.224 4.064 ( 2.563 5.788 -4.915) 8.014 4.606 ( 5.873 0.107 -3.092) 6.638 4.995 ( 1.664 3.404 -4.366) 5.781 5.175 ( 0.355 -0.579 0.383) 0.780 5.509 ( -3.343 2.952 -1.057) 4.583 6.207 ( -1.336 -1.091 -2.798) 3.287 6.618 ( 3.809 -7.752 7.744) 11.601 6.888 ( -8.689 13.980 -8.409) 18.483 7.171 ( 0.367 5.247 -3.505) 6.321 7.422 ( -6.839 0.616 -0.084) 6.868 7.896 ( 7.246 -3.100 7.347) 10.775 8.296 ( -2.193 -2.219 -1.902) 3.654 8.574 ( -3.761 1.654 -3.234) 5.228 8.645 ( 0.359 -2.287 -0.592) 2.390 8.984 ( 7.177 -4.560 -2.771) 8.943 9.292 ( 0.132 1.210 -3.746) 3.938 9.418 ( -3.879 10.230 1.477) 11.040 10.154 ( 3.245 6.009 -4.945) 8.431 10.644 ( 4.537 -4.625 11.761) 13.427 10.979 ( -0.693 4.208 -0.690) 4.320 11.490 ( -1.359 -2.772 -1.621) 3.486 11.600 ( -8.979 5.932 -0.125) 10.762 12.337 ( 1.229 2.147 3.117) 3.979 12.942 ( 3.709 0.993 -0.405) 3.861 13.213 ( 1.679 1.447 -0.183) 2.224 13.958 ( 0.392 -1.419 -12.316) 12.403 15.555 ( -9.602 -4.089 13.826) 17.323======================= Grid point 22 (16/105) =======================q-point: (-0.47 -0.03 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.320 ( 5.670 -4.872 -9.045) 11.734 1.459 ( 9.098 -5.324 -10.743) 15.051 2.126 ( 0.883 0.340 -6.284) 6.355 2.483 ( -0.572 -7.828 5.699) 9.700 2.579 ( 4.612 -1.106 10.026) 11.091 3.225 ( -4.630 -2.354 8.235) 9.736 3.381 ( 1.468 0.243 0.013) 1.488 3.881 ( 0.904 -4.912 -5.793) 7.649 3.930 ( 2.626 3.288 -7.583) 8.672 4.298 ( 2.915 6.263 -8.187) 10.712 4.652 ( 4.613 -6.887 -1.169) 8.371 5.091 ( -2.385 3.536 -5.035) 6.599 5.156 ( -0.655 -0.688 2.911) 3.062 5.450 ( -7.756 3.321 2.160) 8.709 6.208 ( 2.187 0.922 -2.807) 3.676 6.489 ( 1.375 -7.391 5.337) 9.219 7.001 ( -10.779 14.358 -8.601) 19.908 7.259 ( 1.484 2.801 3.771) 4.926 7.393 ( -2.209 5.808 -7.118) 9.449 7.858 ( -2.761 -7.415 9.007) 11.989 8.099 ( -3.915 -2.048 -1.203) 4.580 8.646 ( 0.131 -6.681 -2.641) 7.185 8.654 ( 2.671 4.590 -7.559) 9.238 8.986 ( 6.675 1.357 -7.610) 10.213 9.449 ( -8.190 3.797 6.155) 10.926 9.576 ( 10.074 10.093 -1.822) 14.376 10.115 ( -5.464 -12.308 0.574) 13.478 10.627 ( 5.288 -2.881 11.344) 12.843 11.062 ( -9.672 6.968 -9.784) 15.421 11.264 ( -2.473 -1.011 2.737) 3.825 11.720 ( -1.865 8.080 0.627) 8.316 12.415 ( 1.627 3.417 3.758) 5.333 12.992 ( -0.547 -0.809 -0.472) 1.085 13.249 ( -0.135 -1.772 -0.785) 1.942 13.928 ( -0.380 -2.256 -15.312) 15.482 15.367 ( -2.886 3.588 17.899) 18.482======================= Grid point 23 (17/105) =======================q-point: (-0.47 -0.03 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.319 ( 6.499 -8.622 -6.054) 12.379 1.474 ( 5.013 -4.038 -6.306) 9.011 2.146 ( -5.499 2.122 8.156) 10.063 2.453 ( 9.982 -3.417 -3.506) 11.118 2.718 ( 4.931 2.319 3.064) 6.251 3.248 ( 3.789 5.415 12.711) 14.326 3.525 ( 6.137 4.712 -7.968) 11.107 3.821 ( 1.416 -1.546 -2.084) 2.956 4.031 ( 0.197 -0.212 -8.254) 8.259 4.324 ( -6.772 0.182 -4.808) 8.307 4.573 ( 2.777 -6.779 -4.443) 8.568 5.013 ( -3.581 -2.700 -5.613) 7.184 5.133 ( 0.082 1.142 3.566) 3.746 5.435 ( -0.849 3.917 6.404) 7.555 6.258 ( 0.482 -0.386 2.892) 2.958 6.490 ( 4.658 1.391 2.506) 5.469 6.985 ( -10.478 5.854 -18.283) 21.870 7.287 ( -6.984 -4.000 7.650) 11.104 7.463 ( 1.488 5.547 -1.361) 5.902 7.748 ( 2.889 -0.007 -2.127) 3.587 8.039 ( 0.390 0.669 -3.694) 3.774 8.513 ( -1.443 3.839 -1.788) 4.474 8.850 ( 6.641 0.097 -3.310) 7.421 9.173 ( -0.123 -1.586 8.769) 8.912 9.267 ( -3.810 -2.498 -3.462) 5.722 9.582 ( -10.774 -13.393 -0.604) 17.199 9.963 ( 3.303 8.589 -2.069) 9.432 10.614 ( 0.123 -5.620 7.552) 9.415 10.918 ( -5.604 3.027 6.574) 9.153 11.390 ( 0.966 7.777 -4.644) 9.109 11.775 ( -2.974 1.641 -2.001) 3.942 12.422 ( -3.324 -4.272 -2.829) 6.107 12.915 ( -0.574 -3.005 -1.627) 3.465 13.184 ( -0.871 -0.389 -0.846) 1.275 13.910 ( 1.767 0.721 -4.206) 4.618 15.564 ( 3.927 9.247 11.434) 15.220======================= Grid point 25 (18/105) =======================q-point: ( 0.53 -0.03 -0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.413 ( -1.636 8.826 -2.369) 9.283 1.558 ( -1.932 1.795 1.968) 3.291 2.078 ( -0.257 -0.353 -3.333) 3.362 2.568 ( -0.338 0.354 -0.110) 0.502 2.822 ( -4.561 -0.407 1.117) 4.714 3.350 ( -5.054 -4.510 -10.657) 12.628 3.656 ( -4.981 -6.857 10.811) 13.737 3.838 ( -0.951 0.754 2.544) 2.818 3.938 ( 7.649 -1.447 3.877) 8.696 4.203 ( 3.545 -4.181 1.241) 5.620 4.588 ( 0.530 7.109 1.256) 7.238 4.997 ( -0.044 4.608 -0.548) 4.641 5.152 ( -1.476 -1.199 -0.421) 1.948 5.441 ( -1.000 -3.564 -4.742) 6.015 6.237 ( 1.879 -1.921 -4.380) 5.138 6.571 ( -3.486 -3.280 -6.673) 8.212 6.803 ( 5.994 -1.763 19.293) 20.279 7.175 ( 3.672 2.845 -6.859) 8.284 7.455 ( 1.560 -4.668 1.619) 5.181 7.844 ( -4.497 1.810 4.790) 6.814 8.105 ( -5.861 -0.683 4.944) 7.698 8.534 ( -3.031 -7.829 0.451) 8.407 8.952 ( -0.056 0.231 1.311) 1.333 9.008 ( 7.300 4.146 -8.708) 12.096 9.266 ( 1.118 1.569 2.586) 3.225 9.408 ( 5.567 11.045 -0.388) 12.375 10.002 ( -0.989 1.120 -1.152) 1.887 10.613 ( -1.022 1.279 -4.402) 4.696 10.885 ( -1.623 0.217 -4.000) 4.322 11.397 ( 0.499 -9.647 4.576) 10.689 11.731 ( 1.806 0.841 0.555) 2.068 12.365 ( 2.226 7.830 3.441) 8.838 12.910 ( -0.118 1.750 1.191) 2.120 13.171 ( 0.150 -0.368 1.534) 1.584 13.937 ( -1.112 -3.078 -3.121) 4.523 15.612 ( -0.896 -12.375 -2.751) 12.708======================= Grid point 26 (19/105) =======================q-point: ( 0.53 -0.03 -0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.458 ( -6.289 3.267 4.721) 8.515 1.586 ( -4.054 6.359 6.601) 10.022 2.112 ( 2.918 -0.883 -3.992) 5.023 2.562 ( -7.087 7.148 -1.047) 10.120 2.645 ( -1.932 -4.872 -5.157) 7.352 3.188 ( -1.734 0.662 -8.688) 8.884 3.438 ( -3.994 -3.310 2.703) 5.849 3.871 ( 0.710 2.361 3.209) 4.047 3.984 ( -0.581 -4.601 7.420) 8.750 4.227 ( 9.434 -7.194 7.333) 13.947 4.735 ( -2.678 6.568 2.340) 7.469 5.074 ( -1.184 2.655 3.398) 4.472 5.124 ( 1.894 0.583 -2.325) 3.055 5.351 ( 1.423 -4.339 -5.456) 7.114 6.222 ( 1.508 -4.417 -0.887) 4.751 6.491 ( 0.517 1.402 -1.041) 1.820 6.809 ( 6.559 -9.704 10.271) 15.578 7.300 ( -0.273 -6.090 -1.580) 6.297 7.366 ( 1.115 0.376 0.527) 1.290 7.755 ( 1.715 2.957 -0.490) 3.454 8.130 ( -4.842 5.029 -1.269) 7.095 8.498 ( 7.541 2.671 6.329) 10.201 8.783 ( -3.737 -4.952 3.315) 7.034 9.190 ( -10.302 2.247 6.604) 12.441 9.264 ( 8.386 -0.656 -4.178) 9.391 9.780 ( -8.687 -8.008 -0.223) 11.817 9.991 ( 6.671 21.059 -1.981) 22.179 10.716 ( -3.474 1.058 -6.174) 7.164 10.864 ( 7.562 -0.463 -1.959) 7.825 11.238 ( 0.834 -4.649 1.598) 4.986 11.696 ( 0.714 -5.731 -2.382) 6.247 12.500 ( -5.413 2.090 -0.582) 5.832 12.952 ( 2.593 0.583 0.771) 2.768 13.214 ( 2.974 2.432 2.244) 4.449 13.892 ( 2.195 -1.420 7.559) 7.998 15.304 ( 2.868 -14.529 -10.892) 18.384======================= Grid point 27 (20/105) =======================q-point: ( 0.53 -0.03 -0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.403 ( -3.011 3.585 6.675) 8.154 1.560 ( -10.486 4.346 10.050) 15.161 2.168 ( 4.149 2.902 1.921) 5.416 2.479 ( -3.212 -2.881 -7.178) 8.375 2.757 ( -0.010 9.771 -7.764) 12.480 3.312 ( 5.375 5.844 -8.362) 11.531 3.397 ( 2.375 1.085 0.988) 2.792 3.835 ( 0.215 -5.325 5.306) 7.520 3.966 ( 2.841 2.909 5.740) 7.034 4.138 ( -1.684 -8.088 4.540) 9.427 4.736 ( -5.515 1.136 0.714) 5.676 5.043 ( -3.114 -0.640 2.271) 3.907 5.176 ( 0.254 0.821 0.887) 1.235 5.384 ( 7.559 -2.226 3.461) 8.606 6.168 ( 2.678 -2.909 2.328) 4.588 6.621 ( 5.948 -0.620 -7.717) 9.763 6.733 ( 3.345 -4.391 6.672) 8.659 7.232 ( -2.122 -0.558 -2.157) 3.077 7.274 ( 2.700 -4.269 6.808) 8.477 8.010 ( -0.374 6.071 -10.059) 11.755 8.135 ( 5.983 0.322 -4.362) 7.411 8.531 ( 1.591 -5.316 9.364) 10.885 8.798 ( -7.834 6.086 1.760) 10.075 9.029 ( -0.303 3.241 11.082) 11.550 9.345 ( -2.160 -2.547 -3.603) 4.913 9.431 ( -8.024 -3.396 2.036) 8.948 10.227 ( -3.819 -2.004 2.961) 5.232 10.710 ( -0.976 3.460 -10.009) 10.635 10.949 ( 1.848 -0.914 3.241) 3.841 11.375 ( 9.026 5.357 -2.102) 10.705 11.507 ( -0.864 -9.721 -0.932) 9.804 12.411 ( -5.021 2.929 -8.777) 10.527 12.973 ( 0.632 -2.185 0.612) 2.355 13.256 ( -1.846 -1.271 0.459) 2.288 13.932 ( 3.043 -1.541 17.143) 17.479 15.292 ( 14.287 -3.090 -13.990) 20.234======================= Grid point 28 (21/105) =======================q-point: ( 0.53 -0.03 -0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.389 ( -8.234 3.208 9.681) 13.108 1.522 ( -0.377 5.027 1.496) 5.258 2.160 ( -2.406 -6.261 -2.381) 7.118 2.499 ( 1.850 5.973 -1.733) 6.489 2.864 ( -1.277 1.281 -3.100) 3.589 3.423 ( 0.884 -0.835 -1.292) 1.774 3.641 ( 8.749 5.225 -3.442) 10.756 3.854 ( 5.642 0.220 1.035) 5.740 3.914 ( -3.041 -6.139 0.291) 6.857 4.126 ( 3.928 4.281 2.204) 6.214 4.585 ( -6.352 -0.699 1.689) 6.610 4.983 ( -3.622 1.002 3.648) 5.237 5.177 ( -0.004 -0.564 0.589) 0.815 5.467 ( 3.268 -1.410 2.987) 4.647 6.212 ( 3.145 0.146 4.173) 5.227 6.668 ( 5.815 -6.175 2.619) 8.878 6.725 ( -2.351 2.273 -9.549) 10.093 7.127 ( -1.661 0.772 5.463) 5.762 7.424 ( 6.027 0.973 -0.197) 6.109 7.907 ( -4.854 -1.541 -5.027) 7.156 8.249 ( 1.751 -6.125 -5.219) 8.235 8.577 ( 6.018 0.369 2.331) 6.465 8.762 ( -1.889 8.367 1.384) 8.688 9.047 ( -8.461 -0.503 4.254) 9.483 9.237 ( 4.343 -2.437 1.442) 5.185 9.327 ( -4.163 2.508 0.654) 4.904 10.043 ( -5.369 -3.572 4.543) 7.888 10.658 ( -0.810 -2.193 -1.581) 2.822 10.936 ( -3.066 -1.913 -3.145) 4.791 11.408 ( 8.890 -3.105 -1.543) 9.542 11.665 ( 1.550 4.858 -0.133) 5.101 12.330 ( -5.984 0.944 -3.551) 7.022 12.920 ( -2.059 -0.852 -0.293) 2.248 13.182 ( -0.674 -1.194 -0.830) 1.603 13.960 ( 2.438 -0.850 8.698) 9.073 15.608 ( 12.561 1.242 -5.802) 13.892======================= Grid point 29 (22/105) =======================q-point: ( 0.29 -0.04 0.04)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.026 ( 4.996 11.460 3.805) 13.068 1.291 ( 1.355 12.343 4.164) 13.096 2.197 ( -0.647 12.868 6.468) 14.417 2.508 ( 0.362 -4.383 -11.420) 12.237 2.823 ( -2.300 0.476 -1.506) 2.791 3.316 ( 0.232 -3.606 14.365) 14.813 3.613 ( -6.686 11.745 -7.742) 15.575 3.796 ( 3.609 8.899 -1.065) 9.662 3.924 ( -2.613 0.588 -1.662) 3.152 4.160 ( 5.120 0.466 3.653) 6.307 4.345 ( -1.392 3.470 10.745) 11.377 4.734 ( 2.455 1.070 13.975) 14.229 5.204 ( -0.265 -2.561 -1.497) 2.978 5.586 ( 1.298 -3.791 -3.070) 5.048 6.202 ( 1.977 0.633 0.354) 2.106 6.528 ( -5.427 8.444 5.228) 11.317 6.696 ( -0.045 -13.982 7.939) 16.078 7.406 ( 4.557 -2.528 -10.397) 11.630 7.586 ( 6.339 -4.421 -2.236) 8.046 7.959 ( -9.948 -1.588 -14.874) 17.965 8.027 ( -7.454 4.214 7.865) 11.626 8.556 ( -3.278 3.013 3.640) 5.750 8.732 ( 3.677 -0.595 -1.184) 3.908 9.112 ( 5.775 4.101 0.665) 7.114 9.285 ( 4.906 2.866 -4.825) 7.454 9.444 ( 0.420 -13.559 -0.926) 13.597 9.916 ( 2.503 -5.417 11.946) 13.354 10.629 ( -5.047 -0.968 4.135) 6.596 11.105 ( 0.870 -0.799 -9.556) 9.628 11.448 ( -0.880 2.811 3.048) 4.238 11.782 ( 1.067 -3.558 -6.829) 7.774 12.250 ( -1.280 -4.739 7.642) 9.083 12.837 ( -1.698 0.899 1.443) 2.403 13.173 ( -1.160 -0.852 1.082) 1.801 13.791 ( 3.125 6.306 5.410) 8.877 15.964 ( -0.746 -1.780 -12.132) 12.285======================= Grid point 30 (23/105) =======================q-point: ( 0.29 -0.04 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.459 ( 11.144 9.993 -0.795) 14.989 1.525 ( 0.662 5.931 0.238) 5.973 2.226 ( -0.815 -3.253 -7.929) 8.609 2.527 ( 1.690 -1.713 1.956) 3.101 2.776 ( -1.893 0.665 1.476) 2.491 3.229 ( 1.479 -5.942 16.160) 17.281 3.653 ( -9.206 7.722 -5.207) 13.095 3.796 ( -1.784 3.011 0.162) 3.503 4.001 ( -3.431 -2.513 -5.694) 7.107 4.160 ( -3.773 3.578 1.010) 5.297 4.502 ( 7.510 3.189 4.883) 9.509 4.978 ( 4.330 7.848 2.579) 9.328 5.139 ( -1.123 -0.701 1.638) 2.106 5.525 ( -2.150 -0.979 -2.960) 3.787 6.173 ( 1.447 -6.497 7.351) 9.917 6.412 ( -2.405 -2.256 8.398) 9.023 6.750 ( 0.454 8.019 -1.771) 8.224 7.377 ( 0.083 -1.505 -7.643) 7.790 7.533 ( -5.330 -6.576 -10.641) 13.598 7.770 ( -8.606 3.974 2.619) 9.835 8.029 ( 6.376 3.469 2.070) 7.548 8.519 ( -4.859 3.590 0.733) 6.086 8.892 ( -6.996 1.357 4.199) 8.272 9.074 ( 7.352 0.050 3.015) 7.947 9.239 ( -2.127 -3.750 -1.979) 4.743 9.557 ( 15.785 -2.703 -11.614) 19.783 10.020 ( 5.801 3.416 0.469) 6.748 10.534 ( -0.802 -1.661 9.605) 9.780 10.978 ( -0.058 -6.502 -3.892) 7.578 11.384 ( -10.660 0.900 -2.234) 10.929 11.778 ( 2.645 -1.327 -5.077) 5.877 12.216 ( 3.608 -1.867 9.371) 10.214 12.903 ( 3.386 0.949 -0.435) 3.543 13.121 ( -1.836 0.176 2.623) 3.206 13.959 ( 0.357 6.461 0.505) 6.490 15.713 ( -13.942 -7.159 -5.045) 16.465======================= Grid point 31 (24/105) =======================q-point: (-0.71 -0.04 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.575 ( 0.119 0.474 -4.778) 4.803 1.801 ( 4.798 4.233 -2.793) 6.982 2.183 ( 0.006 0.298 -4.578) 4.588 2.393 ( -2.104 -7.857 3.187) 8.736 2.746 ( 0.612 -5.154 5.976) 7.915 3.156 ( 1.891 -2.475 11.665) 12.074 3.546 ( -7.433 -3.648 -4.378) 9.366 3.808 ( -1.426 4.944 -1.924) 5.493 4.015 ( 1.014 8.568 -3.713) 9.393 4.116 ( -7.073 2.499 -4.989) 9.009 4.675 ( 5.276 0.550 4.885) 7.211 5.010 ( 0.022 -2.997 1.743) 3.467 5.235 ( 0.191 3.709 -0.910) 3.824 5.434 ( -5.541 -0.385 -0.165) 5.557 6.083 ( -4.148 3.663 6.075) 8.218 6.367 ( -3.339 1.695 3.154) 4.895 6.895 ( 1.109 3.554 -7.485) 8.360 7.202 ( -7.972 -5.426 -1.625) 9.779 7.432 ( 1.388 2.648 -7.620) 8.186 7.869 ( 2.350 7.596 6.161) 10.058 8.026 ( -4.775 -6.331 2.299) 8.256 8.543 ( -3.544 4.889 -1.513) 6.225 8.901 ( 8.212 7.268 1.058) 11.017 9.060 ( -4.284 -3.242 -2.862) 6.087 9.410 ( 10.137 3.550 0.203) 10.742 9.745 ( 13.973 -13.889 -14.700) 24.581 10.145 ( -0.841 6.252 -1.819) 6.565 10.551 ( 6.737 -5.061 13.477) 15.895 10.907 ( -0.087 0.648 3.860) 3.915 11.260 ( -7.015 8.097 -3.877) 11.394 11.657 ( -3.934 -9.525 -5.867) 11.858 12.232 ( 2.611 -3.682 12.732) 13.508 12.970 ( 0.821 2.353 -3.431) 4.240 13.168 ( 1.720 3.333 3.200) 4.930 14.121 ( -0.153 9.508 -6.720) 11.644 15.133 ( -22.693 -8.360 2.903) 24.357======================= Grid point 33 (25/105) =======================q-point: (-0.71 -0.04 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.609 ( 0.843 0.615 -6.477) 6.560 1.813 ( -3.253 -2.830 -1.500) 4.566 2.112 ( -3.173 -5.078 -0.530) 6.011 2.336 ( 1.305 4.995 7.266) 8.914 2.638 ( 6.114 -6.317 4.011) 9.663 3.223 ( 5.875 -5.449 -0.147) 8.014 3.361 ( -0.655 3.098 0.952) 3.307 3.949 ( -4.564 5.407 -2.128) 7.388 4.007 ( -2.655 3.702 -7.250) 8.562 4.185 ( -5.674 8.065 -2.685) 10.220 4.772 ( 4.400 0.472 5.621) 7.154 4.978 ( -0.495 -0.842 4.745) 4.845 5.161 ( -4.473 -4.999 -0.127) 6.709 5.302 ( -3.293 -1.559 0.758) 3.722 6.148 ( -5.470 7.771 -4.056) 10.332 6.395 ( -1.926 8.103 5.513) 9.988 6.857 ( -2.485 -1.988 -7.014) 7.702 7.164 ( 1.006 7.370 -3.256) 8.120 7.417 ( -6.028 -4.274 1.268) 7.497 7.832 ( 3.178 0.411 -3.472) 4.724 8.072 ( 3.649 3.305 3.582) 6.089 8.661 ( -1.651 7.990 -1.999) 8.400 8.836 ( -5.413 -7.680 -2.424) 9.703 9.207 ( 4.272 0.120 0.659) 4.324 9.570 ( 4.093 -12.780 -12.775) 18.527 9.637 ( 4.123 4.651 -0.368) 6.226 10.261 ( 5.202 -11.921 6.790) 14.672 10.510 ( 6.895 -1.346 6.632) 9.662 11.021 ( -6.434 -2.339 -5.319) 8.670 11.165 ( -4.580 -1.788 2.633) 5.577 11.472 ( -0.873 8.459 1.603) 8.654 12.349 ( 9.614 5.305 6.412) 12.715 13.004 ( -0.839 -0.137 -3.326) 3.433 13.243 ( -0.110 0.144 3.301) 3.306 14.140 ( -15.065 -3.719 -11.508) 19.319 14.770 ( -4.015 14.571 8.916) 17.548======================= Grid point 34 (26/105) =======================q-point: (-0.71 -0.04 0.49)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.515 ( -5.212 -4.426 -0.860) 6.892 1.654 ( -3.237 -5.524 1.579) 6.594 2.076 ( 5.725 0.630 -3.395) 6.686 2.441 ( 0.569 2.908 8.560) 9.058 2.813 ( 7.607 2.980 0.427) 8.181 3.148 ( 5.827 -7.757 4.045) 10.512 3.644 ( 4.420 11.847 -5.610) 13.833 3.884 ( -3.411 2.904 -2.381) 5.073 4.066 ( -11.123 7.583 -0.356) 13.467 4.118 ( -2.938 0.190 -7.052) 7.642 4.768 ( -4.108 -8.891 -0.651) 9.816 4.922 ( -4.231 3.251 10.889) 12.126 5.078 ( 4.227 2.060 1.897) 5.071 5.245 ( -0.077 -0.644 3.420) 3.481 6.115 ( -4.619 1.138 0.448) 4.778 6.505 ( 3.235 -1.236 -1.371) 3.724 6.930 ( -2.541 13.613 -5.126) 14.767 7.137 ( -6.104 -6.866 8.803) 12.723 7.362 ( -1.137 8.643 -8.675) 12.298 8.108 ( 12.891 4.751 -12.314) 18.450 8.259 ( 5.528 6.958 2.266) 9.171 8.407 ( -9.765 -9.989 -3.307) 14.355 8.815 ( 1.157 0.104 8.088) 8.171 9.058 ( -6.304 -3.845 -7.962) 10.860 9.417 ( -2.477 -7.900 1.410) 8.399 9.649 ( -9.972 -7.699 5.266) 13.654 10.043 ( 5.087 -5.505 -7.295) 10.459 10.533 ( -5.134 -9.546 10.919) 15.385 10.801 ( 15.648 -0.937 2.959) 15.953 11.338 ( -0.553 8.340 -4.778) 9.628 11.640 ( -2.969 9.696 -0.243) 10.143 12.656 ( 8.886 -10.056 -0.291) 13.423 12.957 ( -1.104 3.190 -3.930) 5.181 13.173 ( -1.578 -0.979 0.941) 2.082 13.729 ( -13.240 2.149 6.100) 14.735 15.259 ( 7.079 20.366 -1.406) 21.607======================= Grid point 36 (27/105) =======================q-point: ( 0.29 -0.04 -0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.252 ( -7.672 -6.054 2.151) 10.006 1.497 ( -7.389 -0.037 1.093) 7.470 2.239 ( 5.209 0.984 -4.214) 6.772 2.489 ( -0.361 0.641 2.846) 2.939 2.880 ( 0.334 -2.594 0.270) 2.629 3.196 ( 6.056 -0.757 12.371) 13.794 3.839 ( -4.627 5.939 -0.526) 7.547 3.925 ( -9.608 3.902 -12.647) 16.355 3.965 ( 1.898 -0.815 -3.070) 3.700 4.107 ( -4.088 4.280 -0.608) 5.950 4.485 ( -1.909 -9.005 6.659) 11.361 4.803 ( -7.679 1.113 10.783) 13.285 5.177 ( 0.653 -0.469 0.385) 0.892 5.395 ( 5.086 7.696 2.029) 9.446 6.102 ( 4.152 -0.149 1.916) 4.575 6.533 ( 5.266 -3.129 2.564) 6.640 6.860 ( -8.739 -5.532 7.049) 12.517 7.200 ( -0.682 12.493 -11.290) 16.852 7.461 ( -0.576 3.814 -3.569) 5.255 8.069 ( 0.512 -8.999 -3.783) 9.775 8.310 ( -2.164 -3.808 -3.582) 5.659 8.542 ( 3.411 7.694 -1.346) 8.523 8.769 ( -7.717 -4.773 -0.394) 9.083 8.935 ( 6.718 3.116 5.762) 9.383 9.241 ( -2.384 2.941 -2.825) 4.724 9.365 ( -3.531 -1.961 -2.560) 4.782 9.893 ( -1.560 -7.699 8.641) 11.678 10.576 ( 8.552 0.631 5.261) 10.060 11.032 ( 9.969 -3.524 -4.010) 11.308 11.444 ( -3.624 6.425 -0.189) 7.379 11.746 ( -3.750 6.168 -6.395) 9.644 12.348 ( -0.249 -14.228 1.558) 14.315 12.946 ( -0.192 -4.875 -1.788) 5.196 13.191 ( -0.141 -0.428 -0.075) 0.457 13.734 ( -2.660 9.521 9.762) 13.893 15.763 ( 6.156 11.844 -6.558) 14.873======================= Grid point 38 (28/105) =======================q-point: ( 0.29 -0.04 -0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.958 ( -11.892 10.531 6.639) 17.216 1.118 ( -11.714 6.379 9.591) 16.429 1.787 ( -19.806 2.504 15.472) 25.258 2.653 ( 2.345 2.150 -16.093) 16.405 2.750 ( -1.368 0.294 -6.191) 6.347 3.265 ( -3.024 0.583 4.708) 5.626 3.453 ( -0.480 -0.470 -1.774) 1.897 3.703 ( -3.930 3.846 1.187) 5.625 3.804 ( -3.505 -4.702 4.557) 7.427 4.187 ( -5.326 -1.211 7.472) 9.256 4.335 ( -2.965 9.589 9.502) 13.821 4.835 ( 7.278 -2.263 21.154) 22.486 5.248 ( 2.821 -1.566 -2.902) 4.340 5.646 ( 5.303 -3.882 -5.498) 8.569 6.106 ( -9.893 2.606 5.056) 11.412 6.457 ( 2.410 4.641 -1.836) 5.542 7.025 ( 16.869 -2.103 4.037) 17.472 7.431 ( 0.356 -5.843 -3.115) 6.632 7.587 ( -2.214 -13.942 -5.691) 15.221 7.906 ( 4.274 11.894 -7.395) 14.643 8.032 ( 2.097 -0.177 -6.514) 6.845 8.524 ( 4.544 0.465 3.455) 5.727 8.640 ( -7.231 -2.460 -0.354) 7.647 8.923 ( -1.608 -9.676 10.427) 14.315 9.601 ( 3.676 9.911 -8.089) 13.311 9.775 ( 9.644 6.012 3.161) 11.796 9.797 ( -4.518 -11.763 4.350) 13.330 10.628 ( 0.832 2.250 8.802) 9.123 11.048 ( -2.896 -2.503 0.603) 3.875 11.401 ( 3.566 -3.854 -5.362) 7.505 11.840 ( 1.537 -2.106 -1.771) 3.152 12.415 ( 7.742 0.368 6.937) 10.402 12.903 ( 0.561 6.749 0.894) 6.831 13.185 ( 1.810 -0.081 1.287) 2.222 13.646 ( -8.249 0.647 6.362) 10.438 15.874 ( -1.166 -4.724 -18.415) 19.047======================= Grid point 39 (29/105) =======================q-point: ( 0.29 -0.04 -0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.901 ( -12.531 7.946 9.914) 17.845 1.058 ( -5.736 11.463 7.759) 14.983 1.820 ( -1.842 19.474 13.836) 23.959 2.607 ( -1.719 -1.866 -8.818) 9.175 2.833 ( -0.693 2.592 -11.087) 11.407 3.329 ( 2.238 1.823 5.555) 6.261 3.470 ( -2.707 8.790 -3.980) 10.022 3.591 ( -3.633 0.824 3.122) 4.860 3.908 ( 7.078 5.489 3.814) 9.735 4.047 ( -3.970 -1.356 3.536) 5.487 4.391 ( -7.299 4.466 12.180) 14.886 4.820 ( 2.231 -8.141 21.684) 23.270 5.246 ( 1.457 -2.685 -2.920) 4.226 5.630 ( 4.818 -6.996 -1.779) 8.679 6.090 ( -2.785 8.108 2.152) 8.838 6.529 ( -6.336 3.860 -5.628) 9.312 7.066 ( 4.462 -19.331 5.837) 20.680 7.375 ( 4.596 -7.248 -2.704) 8.998 7.482 ( 9.899 1.351 -5.939) 11.623 7.983 ( -3.252 3.582 10.664) 11.710 8.141 ( -5.643 4.144 -17.926) 19.245 8.491 ( -2.454 1.963 0.853) 3.256 8.729 ( 14.356 1.028 -0.798) 14.415 8.875 ( 1.646 0.227 -1.143) 2.017 9.312 ( -9.303 -7.727 2.026) 12.262 9.686 ( 3.607 -9.602 -0.965) 10.303 10.031 ( 3.088 -4.237 17.306) 18.083 10.704 ( -6.272 10.003 -5.567) 13.053 10.964 ( 4.266 -3.010 7.780) 9.369 11.464 ( 2.705 0.917 -6.684) 7.269 11.775 ( 3.395 -6.084 -0.279) 6.973 12.435 ( -1.037 -5.600 2.205) 6.107 12.942 ( -6.195 0.839 0.310) 6.259 13.206 ( -0.394 -0.615 1.708) 1.858 13.607 ( 0.134 5.197 9.254) 10.614 15.883 ( 4.635 1.847 -18.878) 19.527======================= Grid point 40 (30/105) =======================q-point: ( 0.06 -0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.378 ( 7.468 17.061 0.000) 18.624 0.422 ( 0.013 20.309 -0.000) 20.309 0.847 ( -3.258 38.445 -0.000) 38.583 2.848 ( 2.219 -2.144 0.000) 3.086 2.913 ( -2.190 3.078 -0.000) 3.777 3.101 ( -7.640 4.977 -0.000) 9.118 3.324 ( 7.923 0.866 0.000) 7.970 3.646 ( 0.062 3.065 -0.000) 3.066 3.867 ( -1.502 -7.738 -0.000) 7.882 3.890 ( 0.407 3.331 0.000) 3.356 4.039 ( 2.008 0.130 0.000) 2.012 4.406 ( -0.626 8.644 -0.000) 8.667 5.380 ( -0.015 -2.768 0.000) 2.768 5.769 ( 1.125 5.080 0.000) 5.203 5.877 ( -0.898 -2.066 -0.000) 2.253 6.495 ( -2.197 -0.851 -0.000) 2.356 7.375 ( -1.468 -15.072 -0.000) 15.143 7.595 ( 0.479 -1.971 0.000) 2.029 7.618 ( 2.004 6.332 0.000) 6.642 7.929 ( 2.732 -7.838 0.000) 8.301 8.338 ( 2.141 2.246 0.000) 3.103 8.616 ( 0.084 -7.996 0.000) 7.997 8.643 ( -5.269 8.779 -0.000) 10.239 9.219 ( -12.138 -12.904 -0.000) 17.715 9.426 ( 13.743 2.785 0.000) 14.022 9.540 ( 3.319 -2.331 0.000) 4.056 9.973 ( -0.533 -4.593 -0.000) 4.624 10.356 ( -3.800 11.085 -0.000) 11.718 10.788 ( 1.678 6.661 0.000) 6.869 11.666 ( -0.572 -3.075 -0.000) 3.128 11.881 ( 0.738 -0.599 0.000) 0.950 12.538 ( -0.626 -10.355 0.000) 10.374 12.782 ( -1.100 0.533 -0.000) 1.222 13.209 ( 0.049 -0.956 0.000) 0.957 13.347 ( 0.400 9.694 -0.000) 9.702 16.265 ( -0.157 -1.509 -0.000) 1.517======================= Grid point 41 (31/105) =======================q-point: ( 0.06 -0.06 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.932 ( 10.785 12.885 0.000) 16.803 0.942 ( 7.847 17.150 0.000) 18.860 1.601 ( 5.030 25.475 0.000) 25.967 2.803 ( -3.087 -2.651 -0.000) 4.069 2.927 ( 2.456 -1.882 0.000) 3.094 3.145 ( 4.598 1.637 0.000) 4.881 3.449 ( 0.655 -0.408 0.000) 0.771 3.687 ( -4.924 2.060 -0.000) 5.338 3.791 ( -1.214 9.718 -0.000) 9.793 4.098 ( 9.211 8.532 0.000) 12.555 4.133 ( 0.751 0.277 0.000) 0.800 4.550 ( 3.585 2.716 0.000) 4.497 5.279 ( -2.218 -3.703 -0.000) 4.317 5.715 ( -4.500 -5.015 -0.000) 6.738 6.045 ( 4.270 11.309 0.000) 12.088 6.472 ( 4.331 -6.060 0.000) 7.448 6.988 ( -0.109 -18.919 0.000) 18.919 7.505 ( -5.721 -2.151 -0.000) 6.112 7.617 ( -13.655 4.781 -0.000) 14.468 7.932 ( 9.248 0.069 0.000) 9.248 8.405 ( -0.227 1.158 -0.000) 1.180 8.446 ( 5.001 -17.426 0.000) 18.129 8.560 ( -13.440 6.308 -0.000) 14.847 8.754 ( -6.299 -1.065 -0.000) 6.388 9.644 ( 6.076 1.821 0.000) 6.343 9.743 ( 1.455 9.670 0.000) 9.778 9.761 ( -4.978 -8.908 -0.000) 10.204 10.444 ( 5.809 -1.921 0.000) 6.118 11.075 ( -0.565 12.795 -0.000) 12.808 11.484 ( -2.651 -8.064 -0.000) 8.489 11.891 ( -2.424 2.613 -0.000) 3.564 12.296 ( 3.374 -10.099 0.000) 10.648 12.893 ( 7.907 -0.185 0.000) 7.909 13.166 ( -1.356 -2.636 -0.000) 2.964 13.576 ( -0.642 9.261 -0.000) 9.284 16.113 ( -8.081 -5.708 -0.000) 9.894======================= Grid point 42 (32/105) =======================q-point: ( 0.06 -0.06 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.353 ( 5.737 10.280 0.000) 11.773 1.361 ( 3.453 9.932 0.000) 10.515 2.072 ( 1.371 13.161 0.000) 13.232 2.682 ( -3.628 -2.993 -0.000) 4.703 2.914 ( 1.712 -0.880 0.000) 1.925 3.218 ( 8.077 -11.727 0.000) 14.240 3.449 ( -2.249 6.807 -0.000) 7.169 3.740 ( 3.372 1.625 0.000) 3.743 3.899 ( -5.576 7.376 -0.000) 9.247 4.003 ( -6.511 -4.164 -0.000) 7.728 4.528 ( 10.032 7.123 0.000) 12.303 4.703 ( 0.421 7.254 -0.000) 7.267 5.172 ( -0.782 -2.843 -0.000) 2.949 5.500 ( -7.762 -2.487 -0.000) 8.151 6.234 ( -2.118 -3.327 -0.000) 3.944 6.394 ( 1.802 -6.844 0.000) 7.077 6.714 ( 0.666 0.439 0.000) 0.798 7.365 ( -4.775 1.692 -0.000) 5.066 7.451 ( -4.512 0.261 -0.000) 4.520 8.033 ( 1.556 -19.414 0.000) 19.477 8.138 ( -7.322 4.489 -0.000) 8.589 8.405 ( 1.908 -1.982 0.000) 2.751 8.542 ( 8.491 7.558 0.000) 11.368 8.971 ( 5.435 12.630 0.000) 13.750 9.441 ( -4.780 -9.812 -0.000) 10.914 9.858 ( -10.132 10.922 -0.000) 14.898 9.891 ( 8.033 7.922 0.000) 11.282 10.600 ( 16.573 -6.345 0.000) 17.746 11.128 ( -10.667 4.395 -0.000) 11.537 11.248 ( -0.896 -11.287 -0.000) 11.322 11.888 ( -4.736 4.724 -0.000) 6.689 12.339 ( 14.722 -8.285 0.000) 16.893 13.030 ( -4.008 -3.450 -0.000) 5.289 13.031 ( 5.505 -0.733 0.000) 5.554 13.687 ( -6.982 10.131 -0.000) 12.304 15.652 ( -16.968 -12.863 -0.000) 21.293======================= Grid point 43 (33/105) =======================q-point: ( 0.06 -0.06 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.538 ( -0.371 5.628 -0.000) 5.640 1.589 ( -0.462 6.436 -0.000) 6.452 2.232 ( -1.489 3.403 -0.000) 3.714 2.467 ( -5.285 -7.326 -0.000) 9.033 3.006 ( 0.653 5.194 0.000) 5.234 3.024 ( 3.431 -14.330 0.000) 14.735 3.652 ( -0.088 -9.157 0.000) 9.158 3.660 ( 3.145 9.347 0.000) 9.862 3.887 ( -7.674 5.957 -0.000) 9.715 3.965 ( 0.014 3.370 -0.000) 3.370 4.727 ( 5.337 -1.934 0.000) 5.677 4.882 ( -3.603 13.165 -0.000) 13.649 5.119 ( 2.290 -4.194 0.000) 4.778 5.310 ( -6.719 0.269 -0.000) 6.725 5.983 ( -5.104 -5.928 -0.000) 7.822 6.247 ( -5.864 -3.593 -0.000) 6.878 6.920 ( 4.340 8.155 0.000) 9.238 7.340 ( 2.585 -9.566 0.000) 9.909 7.366 ( -4.309 4.609 -0.000) 6.309 7.879 ( -16.674 0.704 -0.000) 16.689 7.921 ( 11.287 -4.064 0.000) 11.996 8.432 ( 1.977 0.598 0.000) 2.066 9.021 ( 15.587 1.647 0.000) 15.673 9.233 ( 3.207 -3.292 0.000) 4.596 9.325 ( 1.019 11.341 0.000) 11.387 9.858 ( -9.171 9.653 -0.000) 13.315 10.348 ( 14.737 12.386 0.000) 19.251 10.728 ( 8.451 -10.906 0.000) 13.797 10.945 ( -2.435 -13.711 -0.000) 13.925 11.025 ( -4.400 6.883 -0.000) 8.169 11.926 ( -4.728 9.441 -0.000) 10.559 12.174 ( 0.132 -25.097 0.000) 25.098 13.038 ( 4.406 3.270 0.000) 5.487 13.093 ( 2.551 -1.106 0.000) 2.780 13.817 ( -5.456 18.006 -0.000) 18.814 14.901 ( -21.885 -17.689 -0.000) 28.140======================= Grid point 44 (34/105) =======================q-point: ( 0.06 -0.06 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.603 ( -4.630 0.753 -0.000) 4.690 1.627 ( -1.692 4.469 -0.000) 4.778 2.232 ( -2.167 -5.727 -0.000) 6.123 2.266 ( 2.492 1.553 0.000) 2.936 2.869 ( 5.098 -7.662 0.000) 9.203 3.131 ( -2.494 9.712 -0.000) 10.028 3.569 ( 7.630 -7.150 0.000) 10.457 3.755 ( -4.457 2.322 -0.000) 5.026 3.912 ( -7.404 -0.770 -0.000) 7.444 3.990 ( -0.474 9.556 -0.000) 9.567 4.744 ( 3.257 -4.456 0.000) 5.520 4.982 ( -7.540 4.954 -0.000) 9.022 5.090 ( 4.190 -4.812 0.000) 6.381 5.254 ( -3.119 1.847 -0.000) 3.625 5.972 ( 3.618 9.228 0.000) 9.912 6.040 ( -8.408 0.854 -0.000) 8.451 7.175 ( 4.344 2.613 0.000) 5.069 7.216 ( -10.016 -4.782 -0.000) 11.099 7.252 ( 10.181 -6.348 0.000) 11.998 7.675 ( -10.175 9.289 -0.000) 13.778 8.164 ( 12.508 0.613 0.000) 12.523 8.431 ( -8.808 3.837 -0.000) 9.608 9.066 ( 8.507 -9.269 0.000) 12.581 9.436 ( -7.360 7.377 -0.000) 10.420 9.475 ( 11.632 -4.060 0.000) 12.320 9.762 ( -12.039 -2.470 -0.000) 12.290 10.601 ( 5.404 -13.461 0.000) 14.505 10.730 ( 6.649 -1.383 0.000) 6.791 10.961 ( 7.884 12.864 0.000) 15.088 11.033 ( -10.550 0.882 -0.000) 10.587 11.583 ( 3.817 -22.969 0.000) 23.284 12.160 ( 0.034 19.815 -0.000) 19.815 13.113 ( 2.616 -1.592 0.000) 3.062 13.155 ( 1.074 1.471 0.000) 1.821 14.058 ( -20.303 -18.754 -0.000) 27.639 14.282 ( 5.922 24.353 0.000) 25.062======================= Grid point 46 (35/105) =======================q-point: ( 0.06 -0.06 -0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.491 ( -4.024 -1.750 -0.000) 4.388 1.588 ( -5.574 -2.393 -0.000) 6.066 2.140 ( -0.822 -1.500 -0.000) 1.711 2.426 ( 8.092 1.741 0.000) 8.277 2.888 ( 3.560 -1.324 0.000) 3.799 3.332 ( 1.704 6.322 0.000) 6.548 3.562 ( 0.088 -2.294 0.000) 2.296 3.743 ( -4.861 1.500 -0.000) 5.087 3.777 ( 1.520 4.424 0.000) 4.678 4.064 ( -6.942 4.256 -0.000) 8.143 4.669 ( -1.165 -4.273 -0.000) 4.429 4.828 ( -5.933 -4.808 -0.000) 7.637 5.143 ( 7.353 0.292 0.000) 7.359 5.218 ( -1.954 -0.036 -0.000) 1.955 6.028 ( 1.548 4.920 0.000) 5.157 6.356 ( 2.633 15.971 0.000) 16.187 6.886 ( -8.529 -6.408 -0.000) 10.668 7.143 ( 6.474 -8.921 0.000) 11.022 7.526 ( 11.299 2.060 0.000) 11.485 7.721 ( -10.496 11.716 -0.000) 15.730 8.289 ( -9.854 6.884 -0.000) 12.021 8.449 ( 8.105 5.618 0.000) 9.861 9.013 ( 5.608 -12.740 0.000) 13.920 9.257 ( -17.162 -12.079 -0.000) 20.986 9.410 ( -6.796 4.243 -0.000) 8.012 9.442 ( 5.757 -11.571 0.000) 12.925 10.333 ( -13.855 -15.775 -0.000) 20.996 10.615 ( 12.669 -4.933 0.000) 13.595 11.178 ( 8.241 10.031 0.000) 12.982 11.180 ( -6.109 7.114 -0.000) 9.377 11.469 ( 8.615 -8.143 0.000) 11.855 12.723 ( 3.220 24.922 0.000) 25.129 13.153 ( 0.545 0.738 0.000) 0.917 13.168 ( -1.230 0.166 -0.000) 1.241 13.295 ( -8.775 -21.752 -0.000) 23.456 15.003 ( 11.707 24.101 0.000) 26.794======================= Grid point 47 (36/105) =======================q-point: ( 0.06 -0.06 -0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.289 ( -7.676 -11.855 -0.000) 14.123 1.325 ( -7.780 -4.273 -0.000) 8.877 2.037 ( -10.485 0.683 -0.000) 10.507 2.609 ( 6.051 0.418 0.000) 6.066 2.924 ( 2.024 0.315 0.000) 2.049 3.271 ( 0.995 -7.543 0.000) 7.608 3.602 ( -4.411 4.009 -0.000) 5.961 3.769 ( -3.282 6.516 -0.000) 7.296 3.862 ( -7.927 2.602 -0.000) 8.343 4.028 ( 0.828 4.692 0.000) 4.764 4.501 ( -7.983 -13.544 -0.000) 15.722 4.595 ( 1.765 -3.065 0.000) 3.537 5.194 ( 0.628 0.625 0.000) 0.886 5.386 ( 8.313 5.077 0.000) 9.741 6.227 ( 4.230 2.132 0.000) 4.736 6.639 ( -1.837 8.135 -0.000) 8.339 6.648 ( 0.610 -2.424 0.000) 2.500 7.177 ( 8.377 -0.791 0.000) 8.414 7.641 ( -12.518 6.766 -0.000) 14.229 7.735 ( 10.289 -4.274 0.000) 11.141 8.468 ( 0.650 16.154 -0.000) 16.167 8.573 ( -10.522 -2.911 -0.000) 10.917 8.755 ( -8.282 4.211 -0.000) 9.291 8.778 ( -0.570 -10.482 0.000) 10.497 9.361 ( 9.091 -11.685 0.000) 14.805 9.436 ( 5.183 1.169 0.000) 5.313 9.864 ( -5.585 -8.725 -0.000) 10.360 10.796 ( 11.052 -4.030 0.000) 11.764 11.085 ( -14.688 5.679 -0.000) 15.748 11.482 ( -0.896 4.912 -0.000) 4.993 11.552 ( 13.076 -0.270 0.000) 13.079 12.661 ( -10.402 -12.680 -0.000) 16.401 13.098 ( -1.030 8.052 -0.000) 8.118 13.102 ( -1.882 -3.618 -0.000) 4.079 13.377 ( 9.020 3.730 0.000) 9.760 15.696 ( 10.159 17.752 0.000) 20.453======================= Grid point 48 (37/105) =======================q-point: ( 0.06 -0.06 -0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.809 ( -10.411 -14.198 -0.000) 17.606 0.934 ( -16.376 -7.687 -0.000) 18.091 1.647 ( -25.102 -3.566 -0.000) 25.354 2.734 ( 4.748 1.323 0.000) 4.928 2.980 ( 1.312 -0.457 0.000) 1.390 3.217 ( 1.491 0.190 0.000) 1.503 3.449 ( -8.108 -6.517 -0.000) 10.402 3.755 ( -7.376 1.844 -0.000) 7.603 3.757 ( -7.415 6.769 -0.000) 10.041 4.042 ( -5.615 -9.408 -0.000) 10.956 4.079 ( 1.849 -3.880 0.000) 4.298 4.559 ( -1.217 -2.541 -0.000) 2.817 5.281 ( 3.533 2.205 0.000) 4.165 5.654 ( 7.078 4.148 0.000) 8.204 6.067 ( -10.669 -3.491 -0.000) 11.226 6.617 ( -1.095 -5.283 -0.000) 5.395 6.986 ( 21.858 1.583 0.000) 21.915 7.429 ( 6.522 6.526 0.000) 9.227 7.597 ( -8.304 10.320 -0.000) 13.246 7.785 ( 6.448 -4.942 0.000) 8.124 8.362 ( -3.713 0.801 -0.000) 3.798 8.535 ( 4.280 -7.467 0.000) 8.606 8.757 ( -10.961 10.792 -0.000) 15.382 8.987 ( 2.529 20.756 0.000) 20.910 9.296 ( 8.937 -12.659 0.000) 15.496 9.510 ( 4.025 -6.344 0.000) 7.513 9.808 ( 6.326 2.583 0.000) 6.833 10.756 ( -6.806 -9.328 -0.000) 11.547 10.895 ( -9.241 4.961 -0.000) 10.488 11.564 ( 3.854 1.073 0.000) 4.001 11.784 ( 3.431 4.541 0.000) 5.692 12.393 ( 3.333 -4.387 0.000) 5.509 12.939 ( -1.711 -7.647 -0.000) 7.836 13.179 ( 1.307 0.823 0.000) 1.545 13.503 ( -4.041 2.071 -0.000) 4.541 16.127 ( 4.788 7.999 0.000) 9.323======================= Grid point 50 (38/105) =======================q-point: (-0.18 -0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.570 ( -0.997 -7.152 -18.005) 19.399 0.738 ( -1.436 -14.874 -15.108) 21.250 1.284 ( 1.134 -20.201 -33.188) 38.870 2.633 ( -1.674 0.561 13.310) 13.426 2.695 ( 2.136 -4.959 12.291) 13.424 3.223 ( 2.617 -2.333 -5.356) 6.401 3.298 ( -2.660 -7.863 -2.741) 8.742 3.619 ( -0.955 2.462 0.097) 2.642 3.902 ( 1.994 0.090 -4.501) 4.924 4.070 ( -5.659 -1.147 -3.751) 6.885 4.143 ( 4.409 -5.924 -6.165) 9.620 5.310 ( -0.203 11.356 -4.363) 12.167 5.345 ( -0.554 24.279 -19.377) 31.068 5.815 ( 1.085 5.266 3.724) 6.541 5.914 ( -0.563 -1.249 -11.916) 11.995 6.386 ( -0.374 -1.076 8.057) 8.137 7.376 ( 6.105 1.377 9.143) 11.080 7.509 ( -2.950 2.255 0.453) 3.740 7.654 ( -3.202 -0.822 3.592) 4.882 7.844 ( -1.100 -9.537 0.814) 9.634 7.946 ( 2.395 1.336 5.968) 6.568 8.523 ( -3.518 1.756 -2.841) 4.851 8.642 ( 4.187 -6.898 0.432) 8.081 9.206 ( 6.654 11.725 -2.790) 13.767 9.319 ( -12.162 4.975 2.046) 13.299 9.913 ( -1.075 2.835 4.566) 5.481 10.039 ( 8.368 -1.497 -5.195) 9.963 10.384 ( -3.401 -12.494 1.247) 13.008 11.412 ( 0.177 23.319 -8.374) 24.777 11.608 ( -0.562 20.317 -13.071) 24.165 11.940 ( -0.613 8.161 -9.922) 12.862 12.682 ( -0.805 13.160 -9.266) 16.115 12.808 ( 1.754 -0.341 -2.210) 2.842 13.206 ( 0.354 0.341 0.455) 0.669 13.391 ( -0.239 -11.865 -4.518) 12.699 15.573 ( 0.013 -32.922 35.273) 48.250======================= Grid point 53 (39/105) =======================q-point: (-0.18 -0.07 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.279 ( 5.684 7.131 -2.758) 9.527 1.411 ( 7.096 8.724 -4.534) 12.125 2.093 ( 7.681 -2.078 -4.115) 8.958 2.594 ( -4.400 1.543 2.564) 5.321 2.883 ( 2.421 -0.114 3.554) 4.301 3.313 ( -0.125 2.160 -3.002) 3.700 3.583 ( 6.939 -7.571 11.254) 15.236 3.692 ( -0.534 -0.015 -6.217) 6.240 3.894 ( 3.485 -3.072 -1.330) 4.833 4.059 ( -2.082 -0.696 -2.285) 3.169 4.650 ( 2.754 7.539 -6.733) 10.476 4.760 ( 0.347 3.529 -16.442) 16.820 5.185 ( -0.322 -0.467 0.758) 0.947 5.366 ( -6.934 -5.385 1.209) 8.862 6.184 ( -3.972 -1.414 2.859) 5.094 6.639 ( -7.001 -5.117 -1.238) 8.759 6.703 ( 7.752 -4.061 -1.779) 8.930 7.176 ( -6.596 3.233 -0.490) 7.362 7.366 ( 0.549 -3.633 9.671) 10.346 8.048 ( 2.106 -2.294 -12.079) 12.474 8.350 ( 5.321 6.376 15.728) 17.786 8.412 ( -1.671 -13.177 1.950) 13.425 8.798 ( 4.033 -0.484 -0.515) 4.094 8.816 ( 7.524 6.986 -6.347) 12.071 9.371 ( -7.127 11.754 -1.032) 13.785 9.437 ( -5.014 -2.099 1.482) 5.634 10.037 ( 1.503 6.600 -12.005) 13.782 10.789 ( -9.229 2.130 0.341) 9.478 11.015 ( 12.458 -3.952 5.676) 14.249 11.446 ( 4.814 -7.813 3.044) 9.668 11.534 ( -13.625 2.399 1.298) 13.895 12.583 ( 7.818 9.392 6.256) 13.729 12.993 ( -1.933 -1.965 2.592) 3.784 13.213 ( 0.335 0.686 -3.215) 3.305 13.561 ( -3.834 -4.228 -14.544) 15.624 15.576 ( -8.053 -16.363 10.057) 20.827======================= Grid point 54 (40/105) =======================q-point: (-0.18 -0.07 0.51)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.463 ( 3.780 3.027 -0.257) 4.849 1.671 ( 4.916 1.920 -4.641) 7.028 2.128 ( -0.942 0.840 0.676) 1.432 2.437 ( -6.454 -4.086 0.158) 7.640 2.899 ( -1.948 1.179 -0.612) 2.358 3.374 ( 0.122 -9.495 -2.340) 9.780 3.480 ( -1.278 6.557 4.722) 8.181 3.701 ( 2.171 -1.043 2.284) 3.319 3.817 ( 0.535 -4.535 -2.222) 5.079 4.022 ( 3.253 -5.251 3.795) 7.249 4.792 ( 3.348 3.727 -6.110) 7.902 4.903 ( 0.191 3.481 -10.209) 10.788 5.165 ( -4.594 2.174 -0.840) 5.151 5.218 ( 2.293 -0.918 -0.024) 2.470 6.002 ( -1.704 -5.792 1.845) 6.313 6.376 ( -2.186 -12.837 -0.626) 13.037 6.778 ( 3.247 1.973 5.288) 6.511 7.171 ( -1.854 -3.046 7.534) 8.336 7.347 ( -2.010 7.268 -1.834) 7.760 7.994 ( -0.453 -10.008 -12.517) 16.033 8.197 ( 4.238 -4.709 6.561) 9.121 8.409 ( -2.323 -1.967 4.477) 5.414 8.930 ( 4.617 10.027 3.603) 11.612 9.198 ( -2.290 12.458 2.315) 12.876 9.438 ( 7.779 -3.262 -2.431) 8.778 9.579 ( 3.758 9.902 -7.079) 12.739 10.322 ( 3.027 14.993 1.085) 15.334 10.672 ( -2.959 4.249 -4.931) 7.150 11.108 ( 1.819 -8.382 4.374) 9.628 11.164 ( -6.028 -4.771 2.781) 8.175 11.487 ( -4.533 5.133 -1.398) 6.990 12.634 ( -1.975 -20.268 6.531) 21.386 13.102 ( 7.943 8.793 3.608) 12.386 13.193 ( -6.255 3.415 -2.163) 7.448 13.479 ( 4.580 3.977 -13.284) 14.603 14.938 ( -10.236 -23.434 5.423) 26.141======================= Grid point 55 (41/105) =======================q-point: ( 0.82 -0.07 -0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.584 ( 1.206 1.220 0.375) 1.756 1.687 ( 3.402 -5.328 -3.162) 7.068 2.184 ( 0.094 4.411 2.778) 5.214 2.268 ( 0.837 -2.442 0.495) 2.628 2.908 ( -5.236 7.649 -3.131) 9.784 3.169 ( 2.328 -8.796 -2.793) 9.518 3.557 ( -6.802 8.503 0.546) 10.903 3.751 ( 4.002 -2.422 0.322) 4.689 3.824 ( 4.104 -1.656 5.529) 7.082 3.934 ( 3.519 -8.439 4.887) 10.368 4.857 ( -4.123 1.247 -7.170) 8.364 4.979 ( 5.327 1.423 -1.361) 5.680 5.176 ( -2.247 1.174 -5.026) 5.629 5.262 ( 3.079 -0.279 -0.489) 3.130 5.936 ( -0.964 -2.474 1.735) 3.172 6.102 ( 6.029 -7.867 -3.837) 10.628 6.933 ( 2.432 5.222 12.164) 13.459 7.007 ( -0.314 -6.156 10.418) 12.105 7.499 ( -3.331 7.130 -9.128) 12.052 7.787 ( 5.803 -7.338 -6.589) 11.443 8.134 ( -9.804 1.854 1.808) 10.140 8.415 ( 7.599 -5.405 1.453) 9.438 9.068 ( -9.022 9.780 -0.152) 13.307 9.387 ( -2.530 -2.416 2.873) 4.527 9.536 ( 3.001 1.380 -3.429) 4.761 9.676 ( 4.948 0.010 5.748) 7.584 10.679 ( -4.108 12.481 -5.277) 14.160 10.724 ( -8.284 2.421 0.582) 8.650 10.951 ( -0.278 -4.167 1.028) 4.301 11.021 ( 3.997 -7.179 0.669) 8.244 11.588 ( -4.487 17.822 -0.790) 18.395 12.158 ( 5.168 -18.495 0.360) 19.207 13.121 ( -5.590 3.391 -2.140) 6.879 13.226 ( -0.184 -1.829 -3.666) 4.101 13.987 ( 10.443 12.915 5.716) 17.565 14.301 ( 3.517 -19.410 -1.684) 19.798======================= Grid point 58 (42/105) =======================q-point: (-0.18 -0.07 -0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.539 ( -0.236 -3.922 -0.126) 3.931 1.643 ( 0.707 -6.087 -4.482) 7.592 2.195 ( 0.693 -1.313 3.751) 4.034 2.472 ( 6.782 7.243 0.084) 9.923 2.876 ( -6.935 -0.015 3.464) 7.752 3.193 ( 3.730 4.051 -6.557) 8.562 3.584 ( -5.954 -3.470 4.519) 8.240 3.703 ( 2.977 5.056 -2.852) 6.524 3.853 ( 5.525 -5.364 1.711) 7.888 3.922 ( 2.373 -0.703 2.526) 3.536 4.781 ( -3.863 -0.293 -3.636) 5.313 5.018 ( 1.219 -6.262 -9.862) 11.746 5.135 ( -1.666 1.011 -1.204) 2.290 5.320 ( 5.449 -1.034 0.392) 5.560 5.971 ( 6.651 4.937 0.419) 8.294 6.273 ( 5.823 4.265 -2.322) 7.582 6.822 ( -1.663 -6.459 7.330) 9.910 7.173 ( 5.463 5.594 8.388) 11.467 7.436 ( -2.053 -2.815 -2.529) 4.305 7.900 ( -8.981 0.994 -1.898) 9.233 8.029 ( 9.462 4.008 -6.740) 12.289 8.414 ( -0.473 0.145 1.623) 1.697 8.924 ( -12.176 -8.686 4.883) 15.734 9.207 ( -2.970 5.943 1.536) 6.819 9.432 ( -5.115 -9.205 -5.984) 12.112 9.821 ( 8.756 -6.475 3.021) 11.301 10.359 ( -18.814 -3.217 -0.198) 19.088 10.719 ( -1.195 2.683 -0.731) 3.027 10.936 ( -1.826 -0.614 2.672) 3.295 11.052 ( 4.645 5.333 -3.099) 7.722 11.765 ( 1.332 -0.253 9.275) 9.373 12.333 ( 7.328 12.095 -8.724) 16.616 13.029 ( -8.200 -0.757 -0.777) 8.272 13.140 ( -1.867 -0.509 -2.338) 3.035 13.813 ( 5.165 -13.717 0.344) 14.661 14.859 ( 21.856 14.777 3.259) 26.584======================= Grid point 59 (43/105) =======================q-point: (-0.18 -0.07 -0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.371 ( -3.630 -10.763 -2.880) 11.718 1.444 ( -5.357 -6.944 -5.387) 10.292 2.113 ( 0.552 -9.105 -2.788) 9.538 2.692 ( 1.547 -2.436 3.676) 4.674 2.720 ( -5.618 6.408 7.686) 11.476 3.355 ( -0.565 4.783 -4.587) 6.652 3.384 ( 1.120 -5.969 5.129) 7.949 3.767 ( -1.500 -0.200 -4.403) 4.656 3.893 ( 2.537 -6.028 -0.009) 6.540 4.068 ( 7.409 6.954 -5.913) 11.757 4.628 ( -8.929 -3.530 -6.691) 11.703 4.858 ( -0.825 -6.550 -11.752) 13.480 5.164 ( 0.670 2.306 0.902) 2.566 5.461 ( 6.455 1.548 3.490) 7.500 6.238 ( 4.151 1.840 -0.054) 4.541 6.445 ( -0.795 5.874 -3.720) 6.998 6.704 ( 1.344 1.773 -0.004) 2.225 7.325 ( 4.458 -1.069 1.976) 4.992 7.414 ( 6.127 -2.375 3.360) 7.381 7.852 ( -4.754 11.162 7.430) 14.226 8.178 ( -7.009 -1.087 1.252) 7.202 8.428 ( 0.063 0.921 0.703) 1.160 8.643 ( 5.542 -1.028 -9.569) 11.106 9.025 ( -4.988 -14.450 -4.701) 15.993 9.392 ( 3.104 9.704 4.301) 11.059 9.790 ( 5.617 -9.635 1.545) 11.259 9.989 ( -11.850 -1.255 -2.880) 12.260 10.667 ( -8.594 3.792 -5.530) 10.900 11.012 ( 7.167 -0.288 8.215) 10.906 11.252 ( 2.128 5.494 0.968) 5.970 11.791 ( 3.022 -1.433 5.782) 6.680 12.440 ( -9.054 2.287 -5.628) 10.903 12.964 ( -0.700 2.393 1.794) 3.072 13.130 ( -1.235 2.791 -4.571) 5.496 13.743 ( 5.651 -7.112 -4.944) 10.342 15.543 ( 15.828 10.130 8.975) 20.825======================= Grid point 61 (44/105) =======================q-point: (-0.42 -0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.200 ( -0.644 -5.408 -10.899) 12.184 1.406 ( -2.337 -6.877 -6.137) 9.509 2.211 ( 4.382 6.122 8.166) 11.107 2.386 ( -3.396 -9.902 -2.799) 10.835 2.756 ( 1.220 -5.788 4.280) 7.301 3.350 ( 3.144 -4.186 11.929) 13.027 3.610 ( 1.667 -6.947 -9.087) 11.559 3.817 ( 0.679 -6.483 -1.787) 6.759 4.006 ( -0.243 3.895 -7.469) 8.427 4.204 ( -8.990 0.664 -1.257) 9.101 4.526 ( 1.412 -0.404 -5.541) 5.732 4.978 ( -0.377 5.780 -5.831) 8.219 5.159 ( 1.121 -0.594 2.325) 2.649 5.512 ( 2.628 1.905 3.296) 4.626 6.235 ( -1.381 -1.994 0.059) 2.426 6.537 ( 3.131 -6.855 5.007) 9.048 7.022 ( -2.890 14.604 -18.969) 24.114 7.207 ( -3.131 5.586 4.907) 8.068 7.512 ( -1.352 0.658 1.017) 1.815 7.756 ( 3.882 -3.851 2.965) 6.220 8.189 ( 9.491 -1.909 -5.827) 11.299 8.622 ( 4.782 -1.115 -1.516) 5.139 8.749 ( -8.966 -0.328 -2.150) 9.226 8.983 ( -10.155 -0.260 7.897) 12.867 9.262 ( 2.218 -0.716 -1.012) 2.541 9.487 ( -1.234 9.807 -2.932) 10.310 10.092 ( 3.380 6.426 -4.436) 8.508 10.564 ( 1.610 -4.116 10.920) 11.781 10.969 ( 1.622 5.504 3.682) 6.818 11.497 ( 1.764 -3.442 -2.488) 4.599 11.748 ( -4.407 8.134 -4.094) 10.116 12.356 ( -2.177 5.187 -1.623) 5.855 12.873 ( 0.797 -0.202 -1.487) 1.699 13.189 ( 0.716 0.574 -0.358) 0.985 13.934 ( 1.473 -3.750 -6.169) 7.368 15.664 ( -0.247 -6.446 12.612) 14.166======================= Grid point 62 (45/105) =======================q-point: (-0.42 -0.08 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.216 ( 8.962 -4.534 -16.359) 19.196 1.254 ( 3.345 -5.762 -10.077) 12.080 2.128 ( -0.994 -6.838 -9.135) 11.454 2.431 ( 5.232 3.260 5.515) 8.272 2.569 ( -2.777 -9.624 9.848) 14.047 3.315 ( -0.701 -1.711 6.883) 7.127 3.384 ( -3.413 -6.680 1.145) 7.589 3.765 ( 6.960 -4.356 -8.896) 12.106 3.987 ( -6.219 -1.951 -3.774) 7.531 4.187 ( 5.750 4.440 -7.662) 10.558 4.545 ( 5.238 -6.160 -2.802) 8.558 5.148 ( -2.028 9.061 -2.837) 9.709 5.161 ( -0.924 1.045 3.105) 3.404 5.598 ( -4.090 5.201 1.045) 6.698 6.167 ( 1.091 -2.160 -4.496) 5.106 6.421 ( 4.050 -9.546 4.705) 11.387 7.222 ( -8.915 13.886 -8.141) 18.400 7.284 ( -3.177 3.794 7.239) 8.768 7.455 ( -3.125 4.227 -6.773) 8.574 7.813 ( 5.125 -3.026 9.095) 10.869 8.194 ( -0.367 -6.195 -6.774) 9.187 8.540 ( -1.166 -2.632 -2.149) 3.592 8.768 ( -7.488 10.062 -4.127) 13.204 8.872 ( 5.989 -5.320 -0.638) 8.037 9.387 ( 7.446 7.634 -4.355) 11.519 9.600 ( -5.972 5.567 5.391) 9.784 10.210 ( -2.648 -2.772 0.426) 3.858 10.495 ( 6.312 -7.335 12.110) 15.502 11.175 ( -0.859 13.803 -5.571) 14.910 11.401 ( -8.608 -1.412 -3.517) 9.405 11.799 ( -6.646 9.760 -3.453) 12.303 12.445 ( -3.938 8.488 1.578) 9.489 12.953 ( 4.299 -0.137 -0.705) 4.359 13.230 ( 1.536 -0.172 -0.148) 1.553 13.885 ( 4.170 -5.705 -14.322) 15.970 15.419 ( -1.994 -9.205 20.326) 22.401======================= Grid point 63 (46/105) =======================q-point: (-0.42 -0.08 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.180 ( 5.887 -7.579 -11.899) 15.287 1.350 ( 7.429 -4.734 -11.217) 14.262 2.182 ( 7.897 3.025 -15.139) 17.341 2.305 ( -2.980 -5.359 12.864) 14.251 2.600 ( 6.125 1.085 5.534) 8.326 3.214 ( -0.612 1.342 9.529) 9.643 3.415 ( 4.483 2.564 -1.809) 5.473 3.767 ( 3.559 -5.485 -3.716) 7.521 3.983 ( 2.849 2.392 -8.931) 9.675 4.374 ( 2.823 -0.718 -7.142) 7.714 4.469 ( 5.982 -8.043 -3.794) 10.717 5.136 ( -1.331 0.317 5.500) 5.668 5.197 ( -10.916 4.049 -7.336) 13.762 5.503 ( -6.309 2.259 6.575) 9.388 6.208 ( 3.903 -1.151 -2.099) 4.578 6.385 ( 5.131 -2.212 3.617) 6.656 7.174 ( -4.810 3.623 -5.891) 8.424 7.406 ( -2.320 7.898 0.736) 8.265 7.475 ( -6.848 1.102 -3.926) 7.970 7.748 ( -1.845 -2.077 4.024) 4.890 8.070 ( -2.239 -0.396 -4.324) 4.885 8.551 ( 0.336 0.161 0.348) 0.509 8.723 ( 2.457 0.434 -7.858) 8.245 9.076 ( 5.568 6.468 -1.568) 8.678 9.408 ( -7.480 -10.523 7.283) 14.823 9.746 ( 1.592 -0.214 2.982) 3.387 9.933 ( -5.719 5.016 -4.661) 8.922 10.548 ( 6.490 -4.892 11.831) 14.353 11.131 ( -13.272 1.246 -0.878) 13.359 11.399 ( -3.354 9.181 -5.855) 11.394 11.861 ( -5.240 6.486 -4.272) 9.369 12.516 ( -6.031 4.388 -1.665) 7.642 12.931 ( -0.686 -4.644 -1.653) 4.977 13.200 ( -0.498 -2.040 0.354) 2.129 13.849 ( 4.329 -4.260 -10.843) 12.428 15.428 ( 9.451 1.984 19.092) 21.395======================= Grid point 66 (47/105) =======================q-point: ( 0.58 -0.08 -0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.523 ( 0.235 1.464 -0.554) 1.583 1.671 ( -2.584 7.329 -0.039) 7.771 2.070 ( -1.093 -0.226 -3.234) 3.421 2.560 ( 4.188 -1.826 -1.848) 4.928 2.800 ( -8.279 -1.511 1.974) 8.644 3.280 ( -5.898 -0.319 -6.939) 9.112 3.521 ( -2.431 -5.529 5.383) 8.091 3.850 ( 4.132 -2.255 -0.775) 4.771 3.906 ( 4.558 0.424 9.331) 10.393 4.056 ( 3.279 -8.400 1.189) 9.095 4.748 ( 0.891 6.752 1.893) 7.069 5.091 ( 0.884 3.101 0.267) 3.235 5.130 ( -2.741 0.275 -3.463) 4.425 5.351 ( -0.610 -4.838 -5.755) 7.543 6.154 ( 3.840 -6.371 -2.157) 7.745 6.480 ( 0.046 -5.518 3.402) 6.483 6.741 ( 0.360 -2.539 5.845) 6.383 7.251 ( 3.307 -5.145 -1.034) 6.203 7.326 ( 2.402 2.232 -4.309) 5.415 7.858 ( -8.994 0.456 8.197) 12.178 8.205 ( 0.267 6.429 4.974) 8.133 8.402 ( -0.275 -4.406 -2.495) 5.070 8.849 ( -3.446 -4.834 4.459) 7.424 9.067 ( 8.190 2.890 -6.672) 10.952 9.375 ( -4.579 7.780 3.872) 9.822 9.794 ( 12.178 18.861 -6.799) 23.458 9.951 ( -7.641 -2.178 0.679) 7.974 10.710 ( 2.389 6.838 -2.696) 7.729 10.877 ( -7.928 -2.159 -3.870) 9.082 11.208 ( 2.185 -7.053 4.856) 8.837 11.669 ( 2.417 -4.943 -3.035) 6.284 12.578 ( -0.405 7.703 7.236) 10.576 12.909 ( 0.943 0.139 0.270) 0.991 13.163 ( 0.499 -0.113 1.362) 1.455 13.863 ( 0.170 -3.728 -4.559) 5.892 15.256 ( 1.474 -20.478 -1.734) 20.604======================= Grid point 67 (48/105) =======================q-point: ( 0.58 -0.08 -0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.486 ( -4.507 0.502 4.423) 6.335 1.702 ( -2.755 4.385 7.111) 8.797 2.120 ( 1.031 1.280 -0.807) 1.831 2.501 ( 0.732 -7.246 -6.689) 9.889 2.755 ( -0.734 9.214 -5.141) 10.577 3.258 ( -0.543 4.643 -3.815) 6.034 3.394 ( -2.041 -0.355 -1.981) 2.866 3.844 ( -0.848 -7.382 6.303) 9.744 3.897 ( 3.911 -0.928 2.623) 4.799 4.077 ( 7.433 -6.286 5.900) 11.384 4.823 ( -2.835 1.998 0.987) 3.606 5.124 ( -2.811 2.117 -1.764) 3.936 5.159 ( 0.915 2.388 0.294) 2.574 5.254 ( 2.801 -4.099 2.857) 5.728 6.085 ( 4.979 -7.379 0.986) 8.956 6.462 ( 7.103 -5.826 0.010) 9.187 6.699 ( 0.609 1.222 3.630) 3.878 7.148 ( 4.372 -7.661 -1.681) 8.979 7.391 ( -5.829 2.143 2.681) 6.765 7.880 ( 4.116 7.731 -6.102) 10.674 8.169 ( -1.571 -1.338 -5.429) 5.808 8.502 ( 1.495 -5.476 10.266) 11.731 8.771 ( 2.173 6.228 3.005) 7.248 9.254 ( -10.321 0.274 0.422) 10.333 9.324 ( -1.121 8.575 4.465) 9.733 9.644 ( -8.344 -3.612 0.410) 9.101 10.335 ( -6.090 7.161 1.235) 9.482 10.677 ( 2.865 0.797 -7.219) 7.807 10.906 ( 2.235 3.188 2.989) 4.909 11.217 ( 5.539 0.435 -1.805) 5.841 11.548 ( -2.403 -6.825 -4.804) 8.685 12.501 ( -2.103 -1.582 -6.230) 6.763 12.962 ( -1.191 1.038 0.475) 1.649 13.267 ( 1.425 1.523 1.450) 2.540 13.846 ( 4.210 -2.595 13.687) 14.553 14.997 ( 12.790 -13.475 -10.616) 21.398======================= Grid point 68 (49/105) =======================q-point: ( 0.58 -0.08 -0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.479 ( -0.871 3.359 4.463) 5.653 1.648 ( -9.536 3.683 6.979) 12.377 2.158 ( 2.342 -4.589 -0.914) 5.233 2.472 ( 1.669 2.964 -2.960) 4.509 2.884 ( -0.139 1.171 -4.059) 4.227 3.383 ( 1.919 -2.579 1.740) 3.655 3.468 ( 6.071 7.120 -7.838) 12.206 3.749 ( 3.752 -0.837 2.574) 4.626 3.967 ( 0.082 -5.496 0.753) 5.548 4.021 ( 4.420 0.503 1.826) 4.809 4.734 ( -6.628 -0.121 0.218) 6.632 5.061 ( -3.707 1.689 0.241) 4.081 5.176 ( -0.137 -1.121 3.757) 3.923 5.360 ( 6.402 -0.364 6.122) 8.866 6.115 ( 6.115 -0.854 2.511) 6.666 6.512 ( 8.202 -3.668 -5.174) 10.368 6.751 ( -0.447 -0.059 -1.076) 1.166 7.216 ( 6.473 -0.123 -2.307) 6.873 7.266 ( -4.664 2.631 7.648) 9.336 8.036 ( -4.706 -6.027 -10.114) 12.679 8.144 ( 4.056 3.377 -7.416) 9.102 8.454 ( 7.390 -2.749 6.587) 10.274 8.891 ( -10.281 2.692 1.311) 10.708 8.993 ( 5.374 -3.841 3.364) 7.413 9.403 ( -10.569 0.650 1.080) 10.644 9.498 ( -11.929 13.639 6.847) 19.370 10.114 ( -2.611 -7.279 1.018) 7.800 10.706 ( -3.791 -1.604 1.691) 4.450 11.007 ( -2.877 0.981 -5.797) 6.545 11.223 ( 8.527 -8.151 -1.929) 11.953 11.574 ( 4.931 6.620 2.013) 8.496 12.511 ( -7.539 5.453 -11.491) 14.785 12.922 ( 0.475 -2.015 0.615) 2.160 13.203 ( -1.061 -3.198 0.048) 3.370 13.887 ( 4.200 -2.144 13.782) 14.566 15.249 ( 20.564 -0.890 -7.089) 21.770======================= Grid point 70 (50/105) =======================q-point: ( 0.35 -0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.248 ( 6.289 9.275 -0.103) 11.207 1.510 ( 0.836 7.471 0.542) 7.538 2.237 ( -0.478 -6.153 -7.700) 9.868 2.506 ( 0.712 1.863 3.257) 3.819 2.823 ( -2.556 -0.793 1.199) 2.933 3.201 ( 0.941 -5.769 16.165) 17.189 3.833 ( -5.616 6.727 -3.212) 9.333 3.886 ( -6.399 1.515 -1.556) 6.758 4.003 ( 3.208 4.289 -9.606) 10.998 4.179 ( 1.706 2.891 0.600) 3.410 4.402 ( 1.216 3.231 6.899) 7.715 4.868 ( 4.978 8.850 4.256) 11.009 5.162 ( -0.938 -1.159 1.193) 1.909 5.519 ( 3.201 -2.905 -1.259) 4.502 6.119 ( 2.256 -5.806 6.325) 8.877 6.465 ( -2.851 -5.376 8.040) 10.083 6.774 ( -2.622 10.257 2.257) 10.825 7.375 ( 2.303 -0.390 -14.074) 14.267 7.533 ( 3.905 -0.162 -3.613) 5.323 7.903 ( -4.719 -2.416 -4.309) 6.832 8.114 ( -12.569 3.467 3.598) 13.526 8.649 ( -6.252 5.282 2.259) 8.491 8.764 ( 12.041 3.213 -0.352) 12.468 9.029 ( 3.131 -13.029 0.775) 13.422 9.300 ( 4.173 1.097 -6.654) 7.931 9.361 ( -2.683 3.775 -2.531) 5.278 9.848 ( 6.033 0.001 7.946) 9.976 10.577 ( -1.372 -4.174 6.298) 7.679 10.985 ( -1.021 -7.973 -4.633) 9.278 11.547 ( 0.081 3.894 1.621) 4.219 11.730 ( -3.048 -0.528 -9.803) 10.279 12.206 ( -1.295 0.035 6.974) 7.094 12.857 ( -1.154 0.994 0.929) 1.785 13.166 ( -1.875 0.318 0.549) 1.979 13.898 ( 5.484 4.115 4.106) 7.992 15.879 ( -1.230 -6.067 -6.153) 8.727======================= Grid point 71 (51/105) =======================q-point: (-0.65 -0.10 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.577 ( 0.180 -0.776 -3.599) 3.686 1.608 ( 11.188 3.633 -6.969) 13.673 2.167 ( 2.232 -0.500 -3.978) 4.589 2.431 ( -2.261 -6.871 4.125) 8.327 2.754 ( -0.870 -3.612 4.841) 6.103 3.134 ( 0.575 -2.280 15.060) 15.243 3.729 ( -8.819 -2.171 -3.069) 9.587 3.864 ( -3.074 2.162 0.382) 3.777 3.999 ( -1.005 5.373 -5.618) 7.839 4.225 ( -2.760 1.174 -5.079) 5.898 4.570 ( 4.067 3.297 1.162) 5.363 5.013 ( 0.233 -1.964 -0.695) 2.097 5.205 ( 2.148 3.078 -0.798) 3.837 5.512 ( -1.000 -0.446 -1.143) 1.583 6.105 ( 1.489 1.807 11.865) 12.094 6.400 ( 0.026 0.212 5.928) 5.932 6.901 ( -1.752 5.867 -2.857) 6.757 7.341 ( -4.411 -1.357 -13.884) 14.631 7.477 ( -4.975 0.770 -4.405) 6.689 7.852 ( -2.166 2.920 0.958) 3.760 8.112 ( -1.057 3.834 6.131) 7.308 8.591 ( -4.067 2.792 0.410) 4.950 8.806 ( 2.590 -6.059 -1.086) 6.678 9.117 ( 11.696 2.584 -1.858) 12.122 9.248 ( -7.580 3.355 0.756) 8.324 9.479 ( 9.346 -4.192 -13.307) 16.793 10.094 ( 7.735 3.633 1.506) 8.677 10.469 ( 0.518 -4.917 11.044) 12.100 10.892 ( 1.611 -0.842 2.066) 2.752 11.431 ( -8.965 4.525 -2.439) 10.334 11.728 ( -2.134 -3.279 -5.805) 7.000 12.194 ( -0.242 -0.118 8.021) 8.025 12.931 ( 3.468 1.546 -1.017) 3.930 13.151 ( -0.690 2.314 1.856) 3.045 14.086 ( 3.567 5.548 -2.687) 7.122 15.537 ( -14.519 -9.608 0.803) 17.428======================= Grid point 73 (52/105) =======================q-point: (-0.65 -0.10 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.571 ( 1.964 -0.611 -8.445) 8.692 1.804 ( 5.565 -3.123 -8.818) 10.885 2.188 ( -4.094 -3.491 -0.354) 5.392 2.298 ( 3.083 2.136 8.241) 9.055 2.576 ( -0.738 -9.169 6.427) 11.222 3.143 ( 1.483 0.013 5.975) 6.156 3.423 ( -5.305 -6.165 -0.499) 8.148 3.943 ( 1.832 6.908 -4.286) 8.333 4.120 ( -5.288 -2.055 -6.898) 8.931 4.229 ( 1.650 10.402 -2.752) 10.885 4.682 ( 4.048 -0.632 4.726) 6.255 4.981 ( -0.609 1.318 3.278) 3.585 5.210 ( 0.009 -5.043 -1.485) 5.257 5.424 ( -6.761 -0.567 0.511) 6.804 6.227 ( -1.122 6.614 -0.373) 6.719 6.418 ( -0.164 1.504 6.660) 6.830 6.957 ( -5.723 5.256 -10.570) 13.119 7.144 ( -1.761 0.005 4.388) 4.728 7.506 ( -2.679 3.635 -11.076) 11.962 7.876 ( -1.415 -6.154 2.391) 6.752 8.024 ( -4.038 5.729 4.994) 8.607 8.649 ( 1.999 4.344 -0.895) 4.865 8.899 ( 4.693 -4.716 -5.759) 8.799 9.185 ( -6.784 11.700 1.369) 13.593 9.382 ( 13.625 -11.974 -7.948) 19.804 9.514 ( 5.493 0.030 -8.884) 10.445 10.194 ( 1.268 -3.973 5.499) 6.902 10.412 ( 3.922 -5.251 13.751) 15.233 11.023 ( 2.026 9.706 -0.822) 9.950 11.412 ( -13.615 -9.297 -5.003) 17.229 11.498 ( -2.077 10.329 -0.638) 10.555 12.205 ( 3.127 1.247 8.888) 9.504 13.015 ( 0.567 1.564 -2.940) 3.378 13.227 ( 1.494 1.726 2.867) 3.665 14.286 ( 0.821 4.869 -13.647) 14.513 14.994 ( -15.520 -4.126 11.870) 19.970======================= Grid point 74 (53/105) =======================q-point: (-0.65 -0.10 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.579 ( 0.263 -4.395 -5.138) 6.767 1.707 ( -2.396 -5.406 -4.137) 7.217 2.027 ( -1.679 -2.630 0.982) 3.271 2.417 ( 2.422 0.972 11.863) 12.146 2.620 ( 9.270 5.240 -1.474) 10.750 3.053 ( 2.294 -7.804 3.102) 8.706 3.517 ( 6.718 9.485 -4.018) 12.298 3.956 ( -3.396 -3.443 -3.788) 6.143 4.116 ( 0.403 4.936 -4.657) 6.798 4.344 ( -9.676 6.301 -1.638) 11.662 4.767 ( 5.012 -2.328 -1.629) 5.761 4.994 ( -3.681 1.384 5.439) 6.712 5.059 ( -1.636 -1.987 4.408) 5.104 5.263 ( -3.079 -1.840 2.745) 4.517 6.236 ( -5.490 0.456 -1.944) 5.842 6.428 ( 3.848 -3.561 3.252) 6.169 7.015 ( -5.771 14.360 -4.205) 16.037 7.294 ( -4.817 -2.435 -0.337) 5.408 7.363 ( -1.257 7.213 -1.321) 7.440 7.882 ( 6.273 3.688 -10.444) 12.729 8.127 ( 4.948 1.403 -0.207) 5.147 8.632 ( -8.483 -9.482 -3.975) 13.330 8.797 ( -0.197 4.250 4.723) 6.357 9.170 ( -3.097 -5.678 -4.815) 8.064 9.398 ( 4.119 -2.324 -5.746) 7.442 9.749 ( 2.163 2.741 2.865) 4.516 9.946 ( 0.494 -11.392 1.088) 11.454 10.508 ( 9.986 -2.454 9.434) 13.955 10.812 ( -17.694 -8.002 2.967) 19.645 11.316 ( 1.989 9.384 -3.306) 10.146 11.691 ( -2.219 10.509 -1.819) 10.894 12.437 ( 9.946 2.086 4.064) 10.945 13.000 ( -2.257 -0.277 -3.379) 4.073 13.210 ( -1.465 -2.811 2.550) 4.068 14.040 ( -14.710 -4.738 -4.887) 16.208 15.109 ( 7.079 15.704 5.796) 18.175======================= Grid point 75 (54/105) =======================q-point: ( 0.35 -0.10 -0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.392 ( -5.364 -4.657 -0.777) 7.146 1.592 ( -1.727 -1.085 -0.720) 2.163 2.086 ( 6.525 0.471 -3.735) 7.533 2.486 ( 1.533 1.219 7.191) 7.453 2.829 ( 4.415 -2.184 -0.616) 4.964 3.075 ( 5.385 0.851 11.047) 12.320 3.853 ( 2.012 6.600 -3.707) 7.832 3.898 ( 4.184 -0.684 -5.034) 6.581 4.124 ( -5.471 0.111 -6.671) 8.628 4.217 ( -8.713 5.446 -2.306) 10.530 4.563 ( -5.202 -8.530 2.299) 10.252 4.967 ( -6.375 1.323 1.534) 6.689 5.144 ( 3.529 1.541 0.203) 3.856 5.294 ( 3.377 6.766 7.761) 10.836 6.098 ( -3.771 -1.822 4.016) 5.803 6.434 ( 4.081 -3.485 4.403) 6.941 7.024 ( -7.194 -3.860 5.061) 9.606 7.251 ( -3.848 13.862 -13.919) 20.018 7.508 ( -2.936 4.692 -2.647) 6.135 8.036 ( 3.562 -13.062 -10.472) 17.116 8.235 ( 6.722 1.897 -6.945) 9.850 8.524 ( 0.627 11.728 1.415) 11.830 8.771 ( 0.625 -2.639 11.516) 11.831 8.973 ( -6.339 -7.814 -0.622) 10.081 9.321 ( -3.474 -0.423 -3.843) 5.197 9.475 ( -5.504 -4.225 -3.685) 7.857 9.981 ( -5.602 -4.108 0.786) 6.991 10.416 ( 5.097 -0.486 10.407) 11.598 10.802 ( 9.357 1.141 3.096) 9.922 11.497 ( -0.530 6.270 -2.331) 6.711 11.817 ( -3.173 5.046 -6.781) 9.028 12.368 ( -1.673 -12.376 2.552) 12.747 12.953 ( -0.446 -4.273 -2.338) 4.891 13.187 ( 0.578 1.149 0.017) 1.286 13.825 ( -6.101 6.561 5.672) 10.604 15.604 ( 8.985 11.424 -1.304) 14.593======================= Grid point 79 (55/105) =======================q-point: ( 0.35 -0.10 -0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.148 ( -10.304 7.261 5.265) 13.661 1.262 ( -11.002 7.008 7.044) 14.825 1.909 ( -7.696 8.480 9.650) 14.976 2.648 ( -1.826 -1.355 -6.112) 6.521 2.819 ( 2.319 3.893 -10.660) 11.583 3.295 ( -0.684 1.489 2.375) 2.885 3.463 ( 3.294 3.024 -5.566) 7.140 3.730 ( -6.599 -2.575 6.047) 9.314 3.796 ( 1.640 4.861 3.893) 6.440 4.136 ( -1.980 -3.704 4.887) 6.443 4.526 ( -5.545 8.060 10.953) 14.686 4.790 ( -0.090 -1.975 15.919) 16.041 5.209 ( 2.002 -1.806 -1.599) 3.135 5.524 ( 4.477 -7.359 -3.409) 9.264 6.180 ( -5.183 3.552 0.452) 6.300 6.564 ( 3.831 5.393 -1.545) 6.793 6.877 ( 11.480 -12.710 2.569) 17.319 7.321 ( 1.196 -3.869 -1.691) 4.388 7.364 ( -0.324 -5.519 -4.893) 7.383 8.029 ( 1.043 0.496 3.174) 3.377 8.162 ( 2.313 11.239 -14.368) 18.387 8.488 ( 5.315 -4.244 3.738) 7.761 8.679 ( -6.356 5.542 -1.860) 8.635 8.760 ( 0.812 -3.313 10.907) 11.428 9.552 ( -8.865 -9.941 -0.218) 13.321 9.580 ( 3.729 -6.304 -4.184) 8.435 9.978 ( 0.949 5.899 12.312) 13.685 10.747 ( 2.812 10.390 0.856) 10.798 10.956 ( -3.582 -6.172 -1.810) 7.362 11.374 ( 5.463 1.459 -5.985) 8.233 11.756 ( -1.143 -6.932 -2.124) 7.339 12.453 ( -0.469 3.890 0.267) 3.927 13.003 ( 0.317 1.891 -1.363) 2.352 13.192 ( 2.100 0.898 3.847) 4.474 13.633 ( -3.056 -2.192 9.782) 10.480 15.742 ( 8.396 -7.431 -13.938) 17.888======================= Grid point 81 (56/105) =======================q-point: ( 0.11 -0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.712 ( 6.446 14.693 0.000) 16.045 0.849 ( 0.257 19.785 -0.000) 19.786 1.584 ( -2.336 30.695 -0.000) 30.784 2.779 ( 3.113 -4.283 0.000) 5.294 2.946 ( -2.586 -0.677 -0.000) 2.673 3.143 ( -4.786 -2.411 -0.000) 5.359 3.434 ( 2.138 10.020 0.000) 10.245 3.761 ( 1.947 8.328 0.000) 8.553 3.824 ( -4.786 3.224 -0.000) 5.771 3.977 ( 1.684 4.502 0.000) 4.807 4.051 ( 4.749 1.696 0.000) 5.043 4.516 ( -0.823 1.853 -0.000) 2.027 5.306 ( -0.073 -3.990 0.000) 3.990 5.730 ( 2.473 -5.359 0.000) 5.902 6.020 ( -1.178 11.892 -0.000) 11.951 6.467 ( -4.987 -1.781 -0.000) 5.295 6.980 ( -0.404 -20.476 0.000) 20.480 7.563 ( 2.500 -0.527 0.000) 2.554 7.750 ( 3.784 -8.456 0.000) 9.264 7.775 ( 2.354 7.504 0.000) 7.865 8.400 ( 1.374 3.618 0.000) 3.870 8.404 ( -3.297 -10.843 -0.000) 11.333 8.844 ( -7.294 9.408 -0.000) 11.904 8.954 ( -11.892 -11.019 -0.000) 16.212 9.480 ( 6.250 -3.060 0.000) 6.959 9.491 ( 18.927 3.012 0.000) 19.165 9.827 ( -0.987 -9.059 -0.000) 9.112 10.527 ( -10.147 4.464 -0.000) 11.086 11.021 ( 5.215 14.340 0.000) 15.259 11.543 ( -2.226 -8.581 -0.000) 8.864 11.895 ( 3.031 1.979 0.000) 3.620 12.300 ( -3.251 -11.504 -0.000) 11.954 12.798 ( -1.923 0.891 -0.000) 2.120 13.182 ( -0.310 -1.477 -0.000) 1.509 13.557 ( 2.203 9.370 0.000) 9.625 16.214 ( -0.498 -3.424 -0.000) 3.460======================= Grid point 82 (57/105) =======================q-point: ( 0.11 -0.11 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.196 ( 9.419 12.605 0.000) 15.736 1.283 ( 3.522 14.561 0.000) 14.981 2.071 ( -1.349 17.661 -0.000) 17.713 2.720 ( 0.908 -6.106 0.000) 6.174 2.882 ( 0.113 -1.167 0.000) 1.173 3.069 ( 5.058 -8.345 0.000) 9.758 3.533 ( -5.766 8.013 -0.000) 9.872 3.754 ( -4.423 2.666 -0.000) 5.165 3.997 ( -3.299 8.922 -0.000) 9.512 4.121 ( -4.104 -1.497 -0.000) 4.368 4.283 ( 12.806 8.773 0.000) 15.523 4.647 ( 4.674 8.346 0.000) 9.566 5.200 ( -1.541 -3.780 -0.000) 4.082 5.622 ( -3.281 -3.593 -0.000) 4.866 6.238 ( 0.756 2.252 0.000) 2.375 6.358 ( 0.380 -3.898 0.000) 3.916 6.672 ( 2.999 -6.612 0.000) 7.260 7.465 ( -4.764 -1.553 -0.000) 5.011 7.684 ( -14.566 1.896 -0.000) 14.688 7.944 ( 16.290 1.439 0.000) 16.353 8.050 ( -3.295 -17.601 -0.000) 17.907 8.441 ( -2.796 2.594 -0.000) 3.814 8.711 ( -16.582 6.864 -0.000) 17.946 8.851 ( 5.182 7.829 0.000) 9.389 9.498 ( 0.145 -12.028 0.000) 12.029 9.729 ( 7.549 2.939 0.000) 8.101 9.897 ( 10.443 4.863 0.000) 11.520 10.408 ( -2.296 -1.361 -0.000) 2.669 11.276 ( -1.669 -11.386 -0.000) 11.508 11.311 ( -5.652 8.443 -0.000) 10.161 11.953 ( -2.235 2.986 -0.000) 3.729 12.083 ( 7.937 -9.182 0.000) 12.137 12.893 ( 6.886 0.461 0.000) 6.902 13.108 ( -3.113 -2.431 -0.000) 3.950 13.771 ( -0.946 8.926 -0.000) 8.976 15.970 ( -12.069 -7.885 -0.000) 14.416======================= Grid point 83 (58/105) =======================q-point: ( 0.11 -0.11 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.545 ( -0.057 7.267 -0.000) 7.267 1.582 ( 2.303 11.069 0.000) 11.306 2.266 ( -1.663 4.278 -0.000) 4.590 2.550 ( -1.933 -8.683 -0.000) 8.895 2.938 ( 4.202 -12.941 0.000) 13.606 2.943 ( 4.135 2.175 0.000) 4.672 3.637 ( -1.128 9.514 -0.000) 9.581 3.701 ( -3.918 -4.018 -0.000) 5.612 3.986 ( -2.585 2.199 -0.000) 3.394 4.047 ( -6.958 6.746 -0.000) 9.691 4.605 ( 6.406 0.750 0.000) 6.450 4.942 ( -1.351 14.819 -0.000) 14.880 5.096 ( -0.142 -4.356 0.000) 4.358 5.456 ( -6.668 -1.851 -0.000) 6.920 6.077 ( -2.583 -8.338 -0.000) 8.729 6.322 ( -1.155 -0.323 -0.000) 1.199 6.830 ( 4.323 7.341 0.000) 8.519 7.424 ( -11.094 -4.765 -0.000) 12.074 7.431 ( -1.644 4.570 -0.000) 4.857 7.739 ( 5.415 -5.960 0.000) 8.053 8.124 ( -2.711 -3.708 -0.000) 4.593 8.451 ( -6.354 4.190 -0.000) 7.611 8.704 ( 9.807 7.587 0.000) 12.399 9.226 ( 7.661 10.860 0.000) 13.290 9.241 ( -1.551 -8.346 -0.000) 8.489 10.050 ( -7.127 6.808 -0.000) 9.856 10.059 ( 12.851 6.887 0.000) 14.580 10.448 ( 13.753 -8.192 0.000) 16.008 10.995 ( -2.105 -11.712 -0.000) 11.900 11.199 ( -9.975 3.342 -0.000) 10.520 11.971 ( -0.826 3.121 -0.000) 3.228 12.101 ( 6.743 -13.772 0.000) 15.334 13.012 ( -1.842 1.837 -0.000) 2.602 13.028 ( 4.091 0.637 0.000) 4.140 13.925 ( -3.686 12.144 -0.000) 12.691 15.378 ( -22.114 -12.966 -0.000) 25.635======================= Grid point 84 (59/105) =======================q-point: ( 0.11 -0.11 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.654 ( -0.748 5.095 -0.000) 5.149 1.722 ( -5.757 5.415 -0.000) 7.903 2.247 ( -0.486 -1.250 -0.000) 1.342 2.297 ( -3.611 -8.245 -0.000) 9.001 2.761 ( 4.732 -10.474 0.000) 11.493 3.129 ( 4.634 6.511 0.000) 7.992 3.474 ( -1.120 -8.239 -0.000) 8.315 3.839 ( -1.535 7.451 -0.000) 7.608 4.028 ( -4.946 6.962 -0.000) 8.540 4.042 ( -4.173 4.572 -0.000) 6.190 4.671 ( 3.679 -2.104 0.000) 4.238 5.018 ( 2.348 -4.828 0.000) 5.368 5.146 ( -7.213 8.187 -0.000) 10.911 5.315 ( -3.152 -0.170 -0.000) 3.156 5.961 ( -1.965 6.616 -0.000) 6.902 6.227 ( -8.148 0.937 -0.000) 8.202 7.074 ( 5.373 5.521 0.000) 7.704 7.129 ( 0.580 -8.933 0.000) 8.952 7.433 ( -9.413 0.929 -0.000) 9.459 7.879 ( -8.307 0.489 -0.000) 8.322 7.914 ( 10.065 2.409 0.000) 10.349 8.518 ( -0.578 6.884 -0.000) 6.909 8.964 ( 1.436 -4.571 0.000) 4.791 9.211 ( 11.986 -0.646 0.000) 12.003 9.520 ( 0.403 7.065 -0.000) 7.077 9.974 ( -8.347 -0.427 -0.000) 8.358 10.412 ( 13.346 -11.053 0.000) 17.328 10.513 ( 12.306 -7.717 0.000) 14.525 10.841 ( 1.707 8.681 0.000) 8.847 11.194 ( -5.410 8.660 -0.000) 10.211 11.641 ( -7.263 -24.242 -0.000) 25.307 12.110 ( 4.448 8.030 0.000) 9.180 13.082 ( 0.559 -0.153 0.000) 0.580 13.113 ( 2.233 3.580 0.000) 4.219 14.219 ( 1.117 19.902 -0.000) 19.933 14.562 ( -26.095 -14.374 -0.000) 29.792======================= Grid point 85 (60/105) =======================q-point: ( 0.11 -0.11 -0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.610 ( -7.508 -0.260 -0.000) 7.512 1.685 ( -3.326 -0.949 -0.000) 3.459 2.148 ( -0.129 -0.593 -0.000) 0.607 2.273 ( 5.718 -1.095 0.000) 5.822 2.771 ( 7.379 -1.255 0.000) 7.485 3.300 ( 1.065 -2.883 0.000) 3.074 3.460 ( 7.544 6.327 0.000) 9.846 3.821 ( -5.572 3.773 -0.000) 6.729 3.948 ( -11.817 3.935 -0.000) 12.455 4.148 ( -1.241 5.033 -0.000) 5.184 4.704 ( -0.847 0.958 -0.000) 1.279 4.974 ( -8.165 -5.469 -0.000) 9.827 5.013 ( 4.890 -1.613 0.000) 5.149 5.252 ( -1.337 -1.494 -0.000) 2.005 6.086 ( -6.663 2.581 -0.000) 7.145 6.303 ( 2.223 19.350 0.000) 19.477 6.992 ( 6.689 -10.433 0.000) 12.394 7.103 ( -12.024 -5.374 -0.000) 13.170 7.359 ( 5.576 7.719 0.000) 9.523 7.905 ( -6.005 12.309 -0.000) 13.695 8.208 ( 12.720 3.519 0.000) 13.198 8.510 ( -10.279 2.139 -0.000) 10.499 8.871 ( 5.865 -9.171 0.000) 10.886 9.341 ( 4.939 -6.731 0.000) 8.349 9.543 ( -7.332 -0.932 -0.000) 7.391 9.606 ( -12.543 -7.707 -0.000) 14.722 10.356 ( 11.916 -9.328 0.000) 15.133 10.638 ( -10.371 -10.165 -0.000) 14.521 10.881 ( 11.856 -11.696 0.000) 16.654 11.205 ( 3.049 10.202 0.000) 10.648 11.421 ( -1.343 6.853 -0.000) 6.983 12.553 ( 12.738 15.964 0.000) 20.424 13.048 ( 1.028 -5.086 0.000) 5.189 13.177 ( 0.189 -0.004 0.000) 0.190 13.745 ( -25.246 -9.984 -0.000) 27.149 14.799 ( 7.943 24.344 0.000) 25.607======================= Grid point 86 (61/105) =======================q-point: ( 0.11 -0.11 -0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.444 ( -6.774 -10.297 -0.000) 12.326 1.469 ( -6.072 -0.334 -0.000) 6.081 2.196 ( -4.191 5.829 -0.000) 7.180 2.430 ( 10.329 -0.804 0.000) 10.361 2.891 ( 1.872 0.794 0.000) 2.033 3.208 ( 4.555 -10.132 0.000) 11.108 3.731 ( -6.169 7.306 -0.000) 9.562 3.850 ( -5.368 11.286 -0.000) 12.497 3.882 ( 1.605 5.726 0.000) 5.947 4.143 ( -5.897 2.301 -0.000) 6.330 4.613 ( -5.354 -0.816 -0.000) 5.415 4.642 ( -5.931 -12.313 -0.000) 13.667 5.196 ( -0.534 -1.553 -0.000) 1.642 5.216 ( 7.990 6.386 0.000) 10.229 6.102 ( 3.934 1.676 0.000) 4.276 6.644 ( 2.062 4.535 0.000) 4.982 6.778 ( -9.726 -3.688 -0.000) 10.401 7.019 ( 5.775 3.677 0.000) 6.846 7.570 ( 4.829 1.531 0.000) 5.066 7.941 ( -15.168 8.422 -0.000) 17.350 8.450 ( 1.888 6.828 0.000) 7.084 8.613 ( 9.729 9.493 0.000) 13.593 8.733 ( 3.525 -12.929 0.000) 13.401 8.974 ( -14.810 -12.909 -0.000) 19.646 9.258 ( 0.943 -4.336 0.000) 4.438 9.448 ( -5.781 -1.042 -0.000) 5.874 10.021 ( -9.891 -13.574 -0.000) 16.795 10.531 ( 13.675 -2.567 0.000) 13.913 11.175 ( 19.282 -5.674 0.000) 20.099 11.321 ( -7.216 6.057 -0.000) 9.421 11.566 ( -4.059 12.682 -0.000) 13.316 12.783 ( 0.090 -22.677 0.000) 22.677 13.124 ( -0.475 -4.743 -0.000) 4.767 13.149 ( 8.741 7.434 0.000) 11.475 13.271 ( -13.246 13.879 -0.000) 19.185 15.488 ( 9.656 20.986 0.000) 23.101======================= Grid point 87 (62/105) =======================q-point: ( 0.11 -0.11 -0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.035 ( -10.655 -9.211 -0.000) 14.084 1.251 ( -13.192 -2.459 -0.000) 13.420 2.093 ( -16.318 2.756 -0.000) 16.549 2.621 ( 6.826 1.058 0.000) 6.908 2.924 ( 2.542 -0.321 0.000) 2.562 3.129 ( 5.399 -6.003 0.000) 8.074 3.649 ( -9.944 3.699 -0.000) 10.610 3.938 ( -8.578 5.922 -0.000) 10.424 3.990 ( -11.456 8.032 -0.000) 13.991 4.033 ( 1.611 -3.732 0.000) 4.065 4.185 ( -7.908 -14.051 -0.000) 16.124 4.543 ( 0.841 -1.652 0.000) 1.854 5.212 ( 2.781 0.971 0.000) 2.945 5.516 ( 5.991 6.543 0.000) 8.872 6.237 ( -0.773 -0.421 -0.000) 0.880 6.611 ( 1.860 -8.737 0.000) 8.933 6.622 ( 6.869 -0.685 0.000) 6.903 7.321 ( 3.069 12.575 0.000) 12.944 7.654 ( 5.656 -3.717 0.000) 6.768 7.796 ( -10.163 7.200 -0.000) 12.455 8.469 ( 1.607 -10.688 0.000) 10.808 8.500 ( -9.201 -1.253 -0.000) 9.286 8.818 ( 11.931 3.375 0.000) 12.399 8.946 ( -5.118 10.071 -0.000) 11.297 9.237 ( -2.258 5.543 -0.000) 5.985 9.404 ( 5.562 -3.172 0.000) 6.403 9.705 ( 1.881 -6.379 0.000) 6.651 10.704 ( 6.950 -5.174 0.000) 8.665 11.202 ( -14.358 5.830 -0.000) 15.497 11.389 ( 12.414 -4.585 0.000) 13.234 11.774 ( -2.228 11.674 -0.000) 11.884 12.340 ( 1.795 -15.563 0.000) 15.666 12.962 ( -0.726 -8.805 -0.000) 8.835 13.167 ( -0.407 0.517 -0.000) 0.658 13.563 ( -1.802 9.982 -0.000) 10.144 16.008 ( 6.603 10.830 0.000) 12.684======================= Grid point 90 (63/105) =======================q-point: (-0.12 -0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.496 ( 0.000 -0.000 -21.744) 21.744 0.496 ( 0.000 -0.000 -21.744) 21.744 1.064 ( 0.000 -0.000 -46.137) 46.137 2.636 ( -0.000 0.000 12.805) 12.805 2.636 ( -0.000 0.000 12.805) 12.805 3.197 ( 0.000 -0.000 -5.726) 5.726 3.197 ( 0.000 -0.000 -5.726) 5.726 3.642 ( 0.000 -0.000 -2.167) 2.167 3.923 ( 0.000 -0.000 -5.841) 5.841 4.059 ( 0.000 -0.000 -2.261) 2.261 4.059 ( 0.000 -0.000 -2.261) 2.261 5.342 ( -0.000 0.000 6.082) 6.082 5.705 ( 0.000 -0.000 -4.164) 4.164 5.871 ( -0.000 0.000 3.858) 3.858 6.373 ( -0.000 0.000 10.005) 10.005 6.373 ( -0.000 0.000 10.005) 10.005 6.969 ( -0.000 0.000 3.475) 3.475 7.619 ( 0.000 -0.000 -5.303) 5.303 7.619 ( 0.000 -0.000 -5.303) 5.303 7.707 ( 0.000 -0.000 -7.333) 7.333 8.000 ( -0.000 0.000 2.879) 2.879 8.552 ( 0.000 -0.000 -1.492) 1.492 8.552 ( 0.000 -0.000 -1.492) 1.492 9.392 ( 0.000 -0.000 -0.132) 0.132 9.392 ( 0.000 -0.000 -0.132) 0.132 9.910 ( -0.000 0.000 8.388) 8.388 9.974 ( -0.000 0.000 0.160) 0.160 10.247 ( 0.000 -0.000 -2.556) 2.556 11.523 ( -0.000 0.000 11.187) 11.187 11.882 ( -0.000 0.000 1.167) 1.167 12.801 ( 0.000 -0.000 -1.997) 1.997 12.801 ( 0.000 -0.000 -1.997) 1.997 12.883 ( 0.000 -0.000 -15.747) 15.747 13.209 ( -0.000 0.000 0.921) 0.921 13.209 ( -0.000 0.000 0.921) 0.921 14.660 ( -0.000 0.000 3.993) 3.993======================= Grid point 93 (64/105) =======================q-point: (-0.12 -0.12 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.412 ( 1.401 6.540 -1.583) 6.873 1.558 ( 5.507 4.095 -5.402) 8.734 2.123 ( 0.939 4.259 -0.622) 4.405 2.588 ( -6.690 -2.829 0.776) 7.305 2.862 ( 5.067 -0.441 4.633) 6.880 3.353 ( 0.981 -8.781 2.116) 9.085 3.437 ( 3.692 5.820 1.642) 7.085 3.739 ( -3.742 3.111 -1.024) 4.972 3.872 ( -2.946 -1.281 -0.010) 3.212 3.954 ( 0.564 -6.819 -4.802) 8.359 4.750 ( 2.317 2.670 -4.587) 5.791 4.873 ( 1.632 6.477 -14.183) 15.677 5.172 ( 1.522 -1.251 0.675) 2.083 5.303 ( -7.757 -0.401 1.854) 7.986 6.105 ( -7.112 -6.084 1.801) 9.531 6.430 ( -2.294 -10.282 -1.992) 10.721 6.709 ( 2.459 3.521 2.770) 5.111 7.239 ( -4.038 0.020 4.412) 5.981 7.364 ( -0.033 3.147 2.906) 4.283 7.969 ( 5.289 -4.887 -1.652) 7.388 8.152 ( -4.407 -8.584 -6.347) 11.550 8.454 ( 0.545 -0.729 5.367) 5.444 8.735 ( 10.802 5.362 2.698) 12.358 9.157 ( 6.567 15.921 -4.338) 17.760 9.349 ( 0.035 -6.020 0.932) 6.092 9.625 ( -7.652 11.355 -0.754) 13.713 10.201 ( 7.872 8.762 -8.541) 14.550 10.818 ( -7.944 -1.230 5.134) 9.538 10.916 ( 11.067 -3.325 2.389) 11.800 11.239 ( -0.342 -9.866 0.148) 9.873 11.661 ( -9.031 7.035 4.597) 12.336 12.610 ( 5.422 -9.277 3.373) 11.262 12.967 ( 2.301 2.571 0.569) 3.497 13.191 ( 3.527 -3.005 -4.580) 6.515 13.581 ( -9.038 6.881 -8.661) 14.284 15.209 ( -15.020 -17.666 7.411) 24.343======================= Grid point 94 (65/105) =======================q-point: (-0.12 -0.12 0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.549 ( 1.163 4.950 -1.179) 5.220 1.646 ( 1.031 -2.378 -3.489) 4.346 2.183 ( -0.168 2.804 2.232) 3.587 2.326 ( -5.909 -5.642 2.132) 8.444 2.975 ( 0.597 5.012 -0.813) 5.112 3.134 ( -0.485 -9.442 -3.937) 10.241 3.673 ( 1.282 2.918 1.842) 3.681 3.711 ( -5.426 3.101 0.714) 6.290 3.730 ( 4.473 0.260 1.841) 4.844 3.898 ( -0.239 -5.281 5.038) 7.302 4.859 ( 4.203 1.966 -3.357) 5.727 4.959 ( -4.090 2.329 -8.376) 9.608 5.189 ( 2.928 -0.808 -0.746) 3.127 5.239 ( -2.573 2.357 -3.215) 4.745 5.909 ( 1.276 -1.200 1.092) 2.064 6.130 ( -6.703 -8.907 -2.308) 11.383 6.867 ( 2.813 5.601 9.838) 11.665 7.065 ( -4.473 -5.757 12.407) 14.391 7.512 ( 3.812 6.363 -5.952) 9.511 7.788 ( -7.738 -7.890 -10.730) 15.403 8.162 ( 11.189 -0.245 1.972) 11.364 8.359 ( -5.975 -0.873 1.566) 6.238 9.162 ( 7.206 8.525 4.809) 12.155 9.297 ( 3.324 -4.514 -1.696) 5.857 9.468 ( 1.548 9.070 -0.676) 9.226 9.691 ( -3.698 0.376 0.099) 3.718 10.667 ( 2.997 15.618 -0.521) 15.911 10.731 ( 9.449 1.329 -1.802) 9.711 10.945 ( -5.806 -8.645 -2.923) 10.816 11.016 ( 2.429 -5.181 2.662) 6.311 11.714 ( -4.488 13.429 3.509) 14.587 12.147 ( -6.244 -23.039 0.387) 23.873 13.174 ( 2.024 2.314 -2.323) 3.853 13.196 ( 3.310 -3.248 -3.776) 5.980 13.778 ( 4.424 19.938 -0.662) 20.433 14.457 ( -15.048 -21.325 3.674) 26.357======================= Grid point 99 (66/105) =======================q-point: (-0.36 -0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.085 ( 0.587 -5.080 -15.778) 16.586 1.267 ( -2.827 -6.733 -11.946) 14.002 2.160 ( -2.265 -9.584 -8.985) 13.331 2.331 ( 4.332 3.903 5.856) 8.264 2.608 ( -0.602 -7.760 6.227) 9.967 3.270 ( 3.306 -2.688 7.680) 8.783 3.451 ( -0.450 -8.047 -2.239) 8.365 3.683 ( -0.846 -4.553 -4.560) 6.499 4.053 ( 3.840 0.432 -7.346) 8.301 4.194 ( -9.951 -1.520 -2.739) 10.433 4.456 ( 2.743 -6.279 -6.677) 9.567 5.146 ( 0.563 0.293 5.880) 5.914 5.219 ( -2.143 15.355 -5.710) 16.522 5.582 ( 4.439 4.884 5.016) 8.289 6.173 ( -1.487 -3.368 -2.449) 4.422 6.370 ( 0.531 -8.179 1.220) 8.287 7.257 ( 3.608 1.642 -3.247) 5.124 7.409 ( -5.876 13.557 1.150) 14.820 7.493 ( 0.248 0.986 -2.854) 3.030 7.740 ( 0.613 2.844 4.574) 5.421 8.119 ( 4.914 -4.737 -7.971) 10.493 8.625 ( -0.916 0.113 -3.371) 3.495 8.700 ( 4.265 -3.929 0.548) 5.825 9.056 ( -17.074 7.774 5.111) 19.444 9.240 ( 6.898 0.224 -5.519) 8.837 9.695 ( -3.103 7.461 4.460) 9.230 10.146 ( 9.222 -1.401 -1.693) 9.480 10.451 ( -2.946 -7.229 12.230) 14.509 11.161 ( 1.438 11.710 -0.336) 11.803 11.498 ( -0.140 5.849 -4.065) 7.124 11.943 ( -2.368 10.765 -8.593) 13.976 12.532 ( -2.936 11.776 -2.596) 12.410 12.868 ( 1.086 -0.211 -2.205) 2.467 13.194 ( 1.412 -0.108 0.361) 1.462 13.808 ( 1.404 -8.437 -9.618) 12.871 15.445 ( -0.331 -15.232 19.638) 24.855======================= Grid point 100 (67/105) =======================q-point: (-0.36 -0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.089 ( 2.872 -7.318 -16.121) 17.936 1.150 ( 10.007 -3.829 -15.078) 18.498 2.050 ( 2.987 -0.854 -23.298) 23.504 2.388 ( -3.511 -5.201 10.510) 12.241 2.477 ( 5.403 -0.020 6.049) 8.111 3.250 ( -2.071 -3.462 4.934) 6.373 3.319 ( 4.821 -0.736 3.157) 5.810 3.690 ( 3.135 -2.460 -4.690) 6.154 3.971 ( -2.737 1.404 -6.783) 7.447 4.246 ( 7.330 1.466 -7.862) 10.848 4.361 ( 4.505 -10.373 -2.612) 11.606 5.147 ( -0.107 -0.261 8.762) 8.766 5.422 ( -9.586 13.759 -2.815) 17.004 5.682 ( -7.960 1.325 2.422) 8.425 6.136 ( 1.917 -0.866 -6.195) 6.542 6.265 ( 5.772 -4.354 7.600) 10.490 7.165 ( 3.310 -6.944 6.410) 10.013 7.536 ( -7.749 9.101 -5.100) 12.996 7.600 ( -3.772 7.396 -5.405) 9.907 7.791 ( -1.897 0.713 6.574) 6.879 8.071 ( 2.619 -5.326 -8.023) 9.980 8.525 ( -0.952 2.234 -0.553) 2.491 8.726 ( 1.669 -6.331 -3.529) 7.438 9.038 ( -4.662 12.859 -2.878) 13.977 9.515 ( 3.672 -3.571 -0.288) 5.130 9.648 ( -1.348 4.749 9.044) 10.304 10.086 ( -4.799 -5.393 0.657) 7.249 10.372 ( 8.608 -4.824 8.814) 13.231 11.305 ( -2.349 0.499 2.392) 3.389 11.616 ( -12.860 13.792 -5.149) 19.548 12.044 ( -14.811 16.616 -13.167) 25.862 12.682 ( -9.021 12.722 -1.937) 15.716 12.925 ( 1.746 -2.946 -1.331) 3.674 13.201 ( 0.268 -2.219 1.197) 2.535 13.719 ( 8.026 -9.601 -13.742) 18.586 15.168 ( 13.876 -13.411 22.004) 29.267======================= Grid point 104 (68/105) =======================q-point: ( 0.64 -0.14 -0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.544 ( 0.111 1.035 0.323) 1.090 1.748 ( -2.824 -0.102 3.295) 4.340 2.096 ( 0.551 2.564 -3.219) 4.152 2.441 ( 4.173 -8.723 -2.799) 10.067 2.833 ( -5.366 5.347 -1.513) 7.725 3.297 ( -2.021 -1.835 3.607) 4.523 3.464 ( -3.675 2.430 -5.833) 7.310 3.774 ( 8.184 -3.508 2.045) 9.136 3.874 ( -1.818 -7.259 2.886) 8.021 3.916 ( 4.287 -2.177 4.196) 6.382 4.854 ( -0.071 3.577 2.486) 4.357 5.096 ( 0.549 -0.615 -4.148) 4.229 5.207 ( -1.571 4.852 -1.611) 5.349 5.249 ( -0.500 -4.123 -0.981) 4.268 5.987 ( 3.510 -7.840 1.682) 8.753 6.345 ( 3.437 -7.718 3.226) 9.043 6.715 ( -2.054 0.318 0.533) 2.146 7.053 ( 4.182 -9.384 -1.189) 10.343 7.460 ( -1.058 6.478 -1.747) 6.792 7.922 ( -6.262 5.794 1.080) 8.600 8.145 ( 2.548 -9.444 1.244) 9.861 8.419 ( 5.143 1.645 4.305) 6.906 8.870 ( -9.229 7.212 -0.563) 11.726 9.173 ( 6.575 7.681 -0.786) 10.142 9.545 ( -6.819 6.543 3.785) 10.180 9.736 ( -1.161 -8.985 -4.106) 9.946 10.341 ( 5.870 23.662 -1.379) 24.418 10.768 ( -12.627 -6.260 1.555) 14.179 10.855 ( 2.263 5.738 -2.579) 6.685 11.124 ( 4.287 -2.604 2.760) 5.725 11.579 ( 0.306 -2.253 -6.999) 7.359 12.483 ( 2.397 -14.043 4.511) 14.943 13.052 ( -5.591 9.511 -0.221) 11.034 13.188 ( 4.557 3.303 2.514) 6.165 13.795 ( 0.438 -1.830 -1.513) 2.415 14.792 ( 5.729 -22.489 -1.924) 23.287======================= Grid point 105 (69/105) =======================q-point: ( 0.64 -0.14 -0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.510 ( -2.483 1.916 3.005) 4.344 1.769 ( -0.448 1.598 3.863) 4.204 2.124 ( -0.248 -1.789 0.703) 1.939 2.392 ( 5.688 -1.289 -3.353) 6.727 2.888 ( -1.736 1.852 -2.385) 3.484 3.313 ( 5.399 0.432 -5.449) 7.683 3.461 ( -5.187 5.278 0.045) 7.400 3.699 ( 0.919 -4.221 3.172) 5.359 3.870 ( 6.053 -0.683 2.615) 6.629 3.963 ( 4.253 -4.734 -0.044) 6.364 4.844 ( -3.964 0.605 -0.298) 4.021 5.124 ( -0.350 -2.264 -3.063) 3.825 5.201 ( -1.739 1.588 3.529) 4.243 5.236 ( 2.448 1.697 6.615) 7.255 5.970 ( 6.504 -2.491 -0.550) 6.986 6.344 ( 8.099 -3.492 -3.462) 9.475 6.745 ( 0.695 0.697 3.333) 3.476 7.023 ( 7.945 -2.657 -1.663) 8.540 7.446 ( -8.045 2.252 3.092) 8.908 8.019 ( -0.589 2.171 -7.274) 7.614 8.105 ( 7.977 -1.937 -4.981) 9.602 8.383 ( -2.295 -3.083 5.107) 6.391 8.928 ( -2.033 6.281 2.226) 6.967 9.169 ( -12.912 -7.175 -0.410) 14.778 9.517 ( -0.627 7.338 4.345) 8.551 9.689 ( -2.843 5.910 3.340) 7.360 10.300 ( -16.658 -3.745 -0.171) 17.074 10.779 ( -1.974 4.668 1.689) 5.342 11.009 ( 2.934 6.125 -3.997) 7.880 11.084 ( 4.188 -13.242 -2.414) 14.097 11.524 ( -1.226 3.701 1.907) 4.340 12.464 ( 11.900 -1.023 -8.633) 14.737 13.022 ( -8.976 4.699 -2.706) 10.487 13.234 ( -2.145 -4.738 0.691) 5.247 13.805 ( 2.461 -1.086 14.566) 14.813 14.786 ( 22.270 -5.405 -7.398) 24.081======================= Grid point 108 (70/105) =======================q-point: (-0.60 -0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.401 ( 6.017 4.841 -4.396) 8.886 1.582 ( -0.176 -0.266 -2.369) 2.391 2.112 ( 2.194 -4.137 -4.241) 6.318 2.481 ( -1.752 -3.879 5.384) 6.863 2.778 ( -1.720 -3.470 2.208) 4.458 3.113 ( 1.643 -2.576 14.067) 14.395 3.849 ( -2.315 -3.268 -1.224) 4.187 3.931 ( -1.855 0.432 -1.379) 2.352 4.067 ( -4.534 3.265 -5.790) 8.046 4.252 ( -0.828 2.498 -5.271) 5.891 4.506 ( 2.044 6.201 0.085) 6.530 4.993 ( 1.318 2.189 -3.006) 3.946 5.165 ( 1.343 0.430 1.170) 1.833 5.454 ( 6.315 -2.873 2.686) 7.440 6.076 ( 0.271 2.762 9.813) 10.197 6.393 ( -0.297 -2.097 6.894) 7.212 6.956 ( -2.977 7.066 1.549) 7.822 7.400 ( -0.105 3.192 -16.662) 16.965 7.571 ( -1.214 2.859 -6.643) 7.333 7.850 ( -0.607 -3.394 -2.229) 4.106 8.194 ( -6.333 4.241 2.988) 8.187 8.712 ( 2.480 -6.438 -0.225) 6.903 8.761 ( -5.201 -2.129 1.869) 5.922 8.852 ( 8.928 3.102 2.033) 9.668 9.331 ( 2.009 0.982 -9.129) 9.399 9.445 ( -3.808 3.971 -2.310) 5.967 9.933 ( 3.447 7.800 5.166) 9.971 10.454 ( 1.976 -7.219 8.171) 11.081 10.845 ( 2.550 -4.035 2.241) 5.273 11.572 ( -1.090 -1.042 0.551) 1.606 11.780 ( -5.183 5.151 -10.798) 13.038 12.234 ( -2.407 2.518 5.637) 6.626 12.878 ( -0.545 0.943 0.252) 1.118 13.182 ( -1.477 0.929 -0.199) 1.756 13.974 ( 6.744 3.247 1.850) 7.710 15.712 ( -1.608 -9.858 -0.575) 10.005======================= Grid point 110 (71/105) =======================q-point: (-0.60 -0.15 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.537 ( 1.748 -1.953 -7.851) 8.277 1.625 ( 8.748 -1.307 -12.071) 14.965 2.183 ( 6.797 -0.832 6.272) 9.286 2.289 ( -5.022 -4.065 1.824) 6.713 2.637 ( -3.396 -6.327 3.931) 8.186 3.133 ( 0.613 1.766 10.076) 10.248 3.570 ( -7.783 -11.035 0.287) 13.506 3.923 ( 0.032 3.044 -2.516) 3.949 4.163 ( 2.832 7.044 -5.029) 9.107 4.196 ( -2.085 -2.607 -6.504) 7.310 4.617 ( 1.546 0.132 0.994) 1.843 5.006 ( -1.475 2.816 0.502) 3.219 5.179 ( 2.700 -5.019 -0.177) 5.702 5.512 ( -0.364 0.869 0.809) 1.242 6.203 ( 2.226 4.635 4.829) 7.054 6.401 ( 1.627 -0.832 5.904) 6.181 7.029 ( -2.670 7.605 -1.312) 8.166 7.322 ( -12.575 -0.429 -8.357) 15.105 7.547 ( -1.245 5.574 -9.955) 11.477 7.832 ( 3.524 -5.431 -0.530) 6.496 8.200 ( -7.904 4.771 8.085) 12.272 8.628 ( -1.848 0.083 -0.900) 2.057 8.739 ( 7.482 0.681 -5.429) 9.269 9.078 ( 13.569 -5.430 -4.527) 15.301 9.367 ( -3.980 4.025 1.890) 5.968 9.445 ( -1.924 3.737 -10.107) 10.946 10.143 ( 3.513 -0.347 8.629) 9.324 10.348 ( 2.169 -5.373 9.035) 10.733 10.964 ( 3.754 8.254 2.211) 9.333 11.518 ( -1.510 0.054 -0.663) 1.650 11.722 ( -13.372 6.518 -9.381) 17.586 12.222 ( -4.016 3.277 6.846) 8.587 12.961 ( 4.347 1.142 -1.071) 4.621 13.200 ( 0.603 1.934 1.139) 2.324 14.183 ( 7.461 3.238 -6.926) 10.683 15.306 ( -12.154 -12.331 7.538) 18.884======================= Grid point 111 (72/105) =======================q-point: (-0.60 -0.15 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.540 ( 2.186 -3.139 -9.753) 10.476 1.702 ( 4.155 -5.295 -10.069) 12.112 2.113 ( -4.507 -2.982 3.963) 6.701 2.319 ( 5.903 -3.320 11.630) 13.458 2.502 ( 0.835 5.199 -2.319) 5.753 3.078 ( -4.727 -6.164 3.642) 8.579 3.388 ( 5.238 3.611 -0.381) 6.373 4.015 ( -1.760 -7.495 -5.585) 9.512 4.075 ( 3.222 5.198 -5.526) 8.243 4.422 ( 2.179 6.366 -0.998) 6.802 4.635 ( 5.798 -3.230 0.661) 6.670 5.059 ( -2.021 -1.908 3.393) 4.386 5.083 ( -0.746 1.630 3.541) 3.969 5.416 ( -9.889 -0.291 1.647) 10.030 6.308 ( -0.921 0.056 -5.136) 5.218 6.343 ( 4.097 -5.765 6.489) 9.599 7.154 ( -4.748 5.206 0.599) 7.071 7.239 ( 0.134 14.391 -5.711) 15.483 7.531 ( -8.427 -1.671 -2.080) 8.839 7.810 ( 3.412 0.204 -5.919) 6.835 8.115 ( -4.888 3.207 -0.147) 5.848 8.650 ( 4.050 -5.288 0.573) 6.685 8.872 ( -3.148 4.192 -4.906) 7.180 9.110 ( 7.893 -11.443 -7.307) 15.705 9.360 ( -1.731 2.435 1.602) 3.390 9.634 ( 5.760 8.966 -3.627) 11.257 10.003 ( -3.927 -9.881 8.435) 13.572 10.351 ( 5.522 -2.560 11.043) 12.609 11.215 ( -17.665 -6.884 -2.411) 19.111 11.275 ( 1.258 12.389 -2.766) 12.756 11.756 ( -5.034 12.312 -4.142) 13.931 12.299 ( 2.053 7.853 5.953) 10.066 13.027 ( 0.200 -0.575 -2.555) 2.627 13.223 ( 0.212 -2.181 2.824) 3.574 14.272 ( -4.988 -6.288 -14.635) 16.691 14.988 ( 2.918 3.294 15.251) 15.873======================= Grid point 112 (73/105) =======================q-point: (-0.60 -0.15 0.49)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.458 ( -0.462 -4.825 -5.167) 7.084 1.616 ( -1.713 -3.455 -5.775) 6.945 2.006 ( 1.154 0.696 1.791) 2.241 2.419 ( 4.883 -0.465 7.997) 9.381 2.719 ( 5.157 0.895 -3.220) 6.146 2.979 ( 2.930 2.513 10.021) 10.738 3.719 ( 9.109 8.446 -8.054) 14.804 3.855 ( 1.027 -4.827 -0.982) 5.031 4.176 ( -0.641 0.353 -4.252) 4.314 4.392 ( -4.899 -3.052 -0.912) 5.844 4.669 ( -2.769 -4.466 -4.960) 7.226 5.032 ( 5.344 2.949 5.197) 8.017 5.080 ( -6.405 0.102 -1.595) 6.601 5.274 ( -1.158 4.791 7.491) 8.967 6.193 ( -3.023 -2.638 0.988) 4.132 6.375 ( 1.438 -1.276 6.430) 6.711 7.173 ( -6.336 -2.747 1.498) 7.066 7.354 ( -5.806 11.656 -8.989) 15.823 7.534 ( 0.922 5.965 -3.761) 7.112 7.913 ( 6.254 -5.268 -12.068) 14.578 8.136 ( 1.256 3.863 -4.741) 6.243 8.538 ( -1.858 1.354 0.219) 2.309 8.841 ( -5.717 -1.034 11.622) 12.993 9.017 ( 2.844 -7.800 -5.966) 10.223 9.361 ( -0.108 -2.318 -2.332) 3.290 9.587 ( -5.325 -7.435 0.251) 9.149 10.029 ( 1.596 9.144 -3.411) 9.889 10.368 ( 2.602 -8.375 11.735) 14.651 10.776 ( -10.289 2.829 5.417) 11.967 11.479 ( 1.318 5.354 -2.003) 5.867 11.893 ( -4.307 7.743 -7.403) 11.546 12.415 ( -2.762 -3.700 2.803) 5.402 12.965 ( -0.753 -3.895 -2.721) 4.810 13.173 ( 0.611 0.360 1.724) 1.864 13.971 ( -6.904 -0.928 -1.140) 7.059 15.379 ( 12.493 8.962 4.790) 16.104======================= Grid point 119 (74/105) =======================q-point: ( 0.17 -0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.003 ( 6.232 13.051 0.000) 14.462 1.233 ( 0.872 16.051 -0.000) 16.075 2.109 ( -1.277 18.430 -0.000) 18.474 2.664 ( 2.994 -7.307 0.000) 7.896 2.906 ( -1.393 -1.881 -0.000) 2.341 3.035 ( -2.016 -6.802 -0.000) 7.095 3.673 ( -5.302 11.048 -0.000) 12.254 3.893 ( -7.760 1.494 -0.000) 7.903 4.000 ( 4.166 13.720 0.000) 14.339 4.070 ( 2.910 4.510 0.000) 5.368 4.138 ( 3.484 4.872 0.000) 5.989 4.549 ( 2.976 4.568 0.000) 5.452 5.222 ( -0.291 -3.856 -0.000) 3.867 5.625 ( 2.975 -4.333 0.000) 5.256 6.229 ( -0.115 2.773 -0.000) 2.775 6.423 ( -6.870 -2.302 -0.000) 7.246 6.623 ( 1.155 -8.037 0.000) 8.120 7.564 ( -4.296 -2.695 -0.000) 5.071 7.614 ( 14.330 -0.583 0.000) 14.342 7.881 ( -1.279 1.389 -0.000) 1.888 8.214 ( -12.332 -6.142 -0.000) 13.777 8.491 ( -1.127 5.013 -0.000) 5.138 8.791 ( -0.416 -3.823 -0.000) 3.845 9.008 ( -8.059 5.183 -0.000) 9.582 9.415 ( 6.102 -3.568 0.000) 7.068 9.550 ( 18.661 2.643 0.000) 18.847 9.627 ( 0.212 -7.857 0.000) 7.860 10.560 ( -8.384 -1.006 -0.000) 8.444 11.318 ( -2.436 -12.300 -0.000) 12.539 11.322 ( 4.260 12.841 0.000) 13.530 11.955 ( 3.957 3.425 0.000) 5.233 12.077 ( -7.596 -9.008 -0.000) 11.784 12.819 ( -2.082 1.127 -0.000) 2.367 13.156 ( -1.420 -0.778 -0.000) 1.619 13.727 ( 5.102 6.661 0.000) 8.390 16.116 ( -1.035 -5.956 -0.000) 6.045======================= Grid point 120 (75/105) =======================q-point: ( 0.17 -0.17 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.457 ( 9.329 11.628 0.000) 14.908 1.535 ( 1.054 8.843 0.000) 8.906 2.309 ( -2.513 4.790 -0.000) 5.409 2.530 ( 3.354 -10.851 0.000) 11.358 2.873 ( 1.446 -8.848 0.000) 8.965 2.889 ( 0.581 0.975 0.000) 1.135 3.712 ( -5.962 7.952 -0.000) 9.939 3.791 ( -4.535 1.031 -0.000) 4.651 4.078 ( -5.325 -1.864 -0.000) 5.642 4.154 ( -2.634 6.037 -0.000) 6.586 4.459 ( 7.263 7.584 0.000) 10.501 4.916 ( 3.959 15.758 0.000) 16.247 5.116 ( -1.387 -4.282 -0.000) 4.501 5.562 ( -2.574 -2.200 -0.000) 3.386 6.081 ( 1.440 -11.195 0.000) 11.287 6.322 ( -0.031 0.270 -0.000) 0.272 6.754 ( 2.540 8.497 0.000) 8.869 7.456 ( -1.440 1.259 -0.000) 1.912 7.710 ( -3.622 -3.147 -0.000) 4.798 7.761 ( -18.107 -5.060 -0.000) 18.801 7.995 ( 12.601 2.956 0.000) 12.943 8.507 ( -2.877 3.448 -0.000) 4.491 8.820 ( -12.683 2.700 -0.000) 12.967 9.026 ( 10.899 7.650 0.000) 13.316 9.269 ( -1.849 -7.863 -0.000) 8.077 9.792 ( 12.578 2.630 0.000) 12.850 9.949 ( 15.371 -0.048 0.000) 15.371 10.383 ( -6.044 -1.109 -0.000) 6.145 11.028 ( -1.050 -11.202 -0.000) 11.251 11.414 ( -9.723 2.053 -0.000) 9.937 11.936 ( 6.927 -4.859 0.000) 8.461 12.008 ( -2.795 2.088 -0.000) 3.488 12.914 ( 6.075 1.475 0.000) 6.251 13.083 ( -4.009 0.378 -0.000) 4.027 13.948 ( 1.752 7.945 0.000) 8.136 15.780 ( -14.719 -10.213 -0.000) 17.915======================= Grid point 121 (76/105) =======================q-point: ( 0.17 -0.17 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.659 ( 0.224 3.635 -0.000) 3.642 1.789 ( 0.962 7.742 0.000) 7.802 2.268 ( -1.280 -2.579 -0.000) 2.879 2.353 ( -0.777 -9.583 -0.000) 9.614 2.696 ( 0.908 -10.169 0.000) 10.209 2.984 ( 6.384 2.460 0.000) 6.842 3.596 ( -8.332 -6.507 -0.000) 10.572 3.829 ( 0.698 8.608 0.000) 8.636 4.079 ( 0.078 6.534 -0.000) 6.534 4.176 ( -6.788 4.916 -0.000) 8.381 4.600 ( 2.453 -0.260 0.000) 2.467 4.999 ( -0.482 -4.345 -0.000) 4.371 5.234 ( -0.826 8.916 -0.000) 8.954 5.422 ( -6.650 -1.115 -0.000) 6.743 5.990 ( 0.650 2.642 0.000) 2.720 6.346 ( -2.675 1.793 -0.000) 3.220 6.961 ( 4.666 5.037 0.000) 6.866 7.254 ( -11.995 -9.118 -0.000) 15.067 7.552 ( -1.077 6.598 -0.000) 6.685 7.776 ( 2.409 6.581 0.000) 7.008 8.009 ( -4.530 -7.303 -0.000) 8.594 8.552 ( -2.238 5.346 -0.000) 5.795 8.876 ( 6.094 9.462 0.000) 11.255 9.101 ( -2.028 -5.170 -0.000) 5.554 9.404 ( 10.012 5.624 0.000) 11.484 10.090 ( 1.123 -5.180 0.000) 5.300 10.095 ( 15.189 -5.621 0.000) 16.196 10.299 ( 3.897 -3.437 0.000) 5.196 10.852 ( -1.328 0.904 -0.000) 1.606 11.311 ( -6.294 7.867 -0.000) 10.075 11.786 ( -5.222 -15.334 -0.000) 16.199 12.025 ( 2.241 2.193 0.000) 3.135 13.051 ( 3.093 1.275 0.000) 3.346 13.087 ( -0.166 4.486 -0.000) 4.489 14.193 ( 2.133 13.239 0.000) 13.410 15.106 ( -24.269 -12.991 -0.000) 27.527======================= Grid point 122 (77/105) =======================q-point: ( 0.17 0.83 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.723 ( -0.361 0.117 -0.000) 0.379 1.793 ( -8.622 0.919 -0.000) 8.671 2.155 ( -0.600 -3.772 -0.000) 3.819 2.201 ( 1.130 -3.239 0.000) 3.430 2.603 ( 7.607 -3.494 0.000) 8.372 3.231 ( 8.152 -4.976 0.000) 9.550 3.350 ( -0.731 4.699 -0.000) 4.755 3.971 ( -6.556 4.777 -0.000) 8.112 4.147 ( -0.110 3.631 -0.000) 3.633 4.169 ( -7.745 7.266 -0.000) 10.620 4.677 ( 3.052 3.063 0.000) 4.325 4.943 ( 1.560 -1.508 0.000) 2.170 5.156 ( -7.915 -6.281 -0.000) 10.104 5.284 ( -2.480 -2.184 -0.000) 3.305 6.258 ( -8.077 1.416 -0.000) 8.201 6.259 ( 2.336 16.724 0.000) 16.886 6.929 ( -2.104 -6.239 -0.000) 6.585 7.231 ( 7.339 8.047 0.000) 10.891 7.387 ( -14.387 -4.813 -0.000) 15.171 7.945 ( 2.127 5.926 0.000) 6.296 7.989 ( 6.693 4.199 0.000) 7.901 8.657 ( -2.078 4.433 -0.000) 4.896 8.859 ( -6.082 -6.350 -0.000) 8.793 9.216 ( 6.613 2.851 0.000) 7.202 9.608 ( 1.778 0.205 0.000) 1.790 9.832 ( -7.962 -10.194 -0.000) 12.935 10.106 ( 11.906 -13.824 0.000) 18.245 10.431 ( 14.037 -1.451 0.000) 14.112 11.106 ( 4.969 13.229 0.000) 14.132 11.107 ( -18.812 -19.352 -0.000) 26.989 11.463 ( -2.210 10.522 -0.000) 10.752 12.266 ( 12.565 6.720 0.000) 14.249 13.075 ( -1.738 -0.579 -0.000) 1.832 13.169 ( 0.357 1.196 0.000) 1.248 14.296 ( -26.346 -10.972 -0.000) 28.539 14.646 ( 7.159 20.194 0.000) 21.425======================= Grid point 124 (78/105) =======================q-point: ( 0.17 -0.17 -0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.566 ( -4.619 -8.563 -0.000) 9.729 1.597 ( -6.582 -0.717 -0.000) 6.621 2.220 ( 1.291 5.791 0.000) 5.933 2.228 ( 7.729 -2.527 0.000) 8.132 2.805 ( 6.602 3.552 0.000) 7.497 3.103 ( 4.920 -10.700 0.000) 11.777 3.731 ( 5.093 13.279 0.000) 14.222 3.899 ( -3.418 2.928 -0.000) 4.500 4.076 ( -13.723 8.424 -0.000) 16.103 4.195 ( -0.402 -0.207 -0.000) 0.452 4.782 ( -7.693 -11.863 -0.000) 14.139 4.783 ( -7.558 6.453 -0.000) 9.938 5.046 ( 7.802 4.566 0.000) 9.040 5.204 ( -0.220 -2.955 -0.000) 2.963 6.116 ( -5.049 -0.304 -0.000) 5.059 6.538 ( 7.211 -3.684 0.000) 8.098 6.969 ( -0.951 14.458 -0.000) 14.489 7.007 ( -11.691 -3.595 -0.000) 12.231 7.513 ( 1.827 6.091 0.000) 6.359 8.187 ( -2.587 14.293 -0.000) 14.525 8.316 ( 15.198 6.893 0.000) 16.688 8.434 ( -6.240 -10.209 -0.000) 11.965 8.688 ( 0.950 -8.373 0.000) 8.426 9.280 ( -2.068 1.854 -0.000) 2.778 9.281 ( -12.557 -15.179 -0.000) 19.699 9.592 ( -6.295 -1.516 -0.000) 6.475 10.231 ( 14.491 -1.990 0.000) 14.627 10.302 ( -16.657 -17.393 -0.000) 24.083 10.764 ( 18.466 -1.727 0.000) 18.546 11.390 ( 0.192 7.347 -0.000) 7.350 11.653 ( -3.885 13.038 -0.000) 13.605 12.647 ( 11.963 -10.626 0.000) 16.001 13.037 ( 0.233 7.771 -0.000) 7.775 13.131 ( -0.317 -4.699 0.000) 4.709 13.652 ( -20.533 0.666 -0.000) 20.543 15.281 ( 10.148 20.545 0.000) 22.915======================= Grid point 125 (79/105) =======================q-point: ( 0.17 -0.17 -0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.247 ( -9.256 -5.946 -0.000) 11.001 1.476 ( -8.030 1.002 -0.000) 8.092 2.315 ( -4.859 4.233 -0.000) 6.444 2.419 ( 11.717 0.228 0.000) 11.720 2.902 ( 0.075 0.116 0.000) 0.138 3.012 ( 5.534 -7.937 0.000) 9.676 3.853 ( -8.241 5.182 -0.000) 9.734 3.971 ( 2.976 0.279 0.000) 2.989 4.103 ( -7.756 9.882 -0.000) 12.562 4.160 ( -2.352 0.836 -0.000) 2.496 4.355 ( -7.917 -12.743 -0.000) 15.002 4.654 ( -12.517 4.679 -0.000) 13.363 5.166 ( 1.698 -1.180 0.000) 2.068 5.382 ( 7.361 8.532 0.000) 11.268 6.099 ( 6.880 -1.576 0.000) 7.058 6.527 ( 6.062 -9.140 0.000) 10.968 6.729 ( -10.488 -1.184 -0.000) 10.554 7.313 ( -2.058 17.520 -0.000) 17.641 7.573 ( 1.596 -1.304 0.000) 2.061 8.009 ( -9.468 -3.511 -0.000) 10.097 8.457 ( 0.209 -11.385 0.000) 11.387 8.584 ( 8.381 5.435 0.000) 9.989 8.725 ( -10.386 -5.394 -0.000) 11.703 8.859 ( 12.127 7.739 0.000) 14.386 9.317 ( -4.439 9.691 -0.000) 10.659 9.394 ( -5.228 -2.554 -0.000) 5.819 9.752 ( -6.227 -12.175 -0.000) 13.675 10.510 ( 10.985 0.003 0.000) 10.985 11.082 ( 15.857 -2.883 0.000) 16.116 11.437 ( -7.443 5.027 -0.000) 8.982 11.845 ( -3.954 12.466 -0.000) 13.078 12.312 ( 0.805 -21.076 0.000) 21.091 12.975 ( -0.531 -8.512 0.000) 8.528 13.191 ( -1.099 -0.262 -0.000) 1.130 13.607 ( -3.596 14.269 -0.000) 14.715 15.845 ( 8.912 11.939 0.000) 14.899======================= Grid point 140 (80/105) =======================q-point: (-0.31 -0.19 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.997 ( 0.915 -3.098 -18.636) 18.913 1.092 ( -1.444 -9.510 -16.183) 18.825 2.037 ( -0.808 -1.547 -27.810) 27.865 2.373 ( 3.355 0.440 8.318) 8.980 2.453 ( -2.186 -6.405 7.067) 9.785 3.234 ( 2.175 -1.195 4.249) 4.920 3.291 ( -1.789 -6.297 2.388) 6.968 3.658 ( -0.289 1.601 -2.827) 3.262 4.044 ( 2.173 0.065 -7.132) 7.456 4.156 ( -4.781 -1.805 -3.400) 6.138 4.286 ( 2.292 -8.981 -5.730) 10.897 5.146 ( 0.089 0.023 9.860) 9.861 5.589 ( -4.342 17.260 -2.173) 17.930 5.704 ( 5.460 5.885 4.839) 9.374 6.122 ( 0.118 -0.685 -3.353) 3.424 6.216 ( -1.485 -6.076 5.546) 8.360 7.096 ( 1.396 -12.083 6.992) 14.030 7.624 ( 0.863 7.903 -6.245) 10.109 7.656 ( -2.310 7.929 -2.922) 8.761 7.830 ( -0.358 4.532 6.249) 7.728 8.005 ( 1.320 -5.317 -10.593) 11.926 8.598 ( -4.814 -1.560 -2.820) 5.793 8.629 ( 5.651 -3.100 0.547) 6.468 9.261 ( -12.593 10.200 2.592) 16.412 9.309 ( 10.355 6.037 -5.070) 13.015 9.738 ( -1.328 -3.367 10.924) 11.508 10.070 ( 3.984 -5.604 0.503) 6.894 10.295 ( -1.755 -5.385 6.111) 8.331 11.316 ( 0.446 3.173 2.277) 3.931 11.741 ( -0.132 10.227 1.384) 10.321 12.336 ( -0.650 30.297 -15.768) 34.160 12.824 ( -3.623 10.944 -2.884) 11.884 12.879 ( 1.997 5.444 -3.354) 6.699 13.188 ( 1.425 -0.369 0.980) 1.768 13.575 ( 0.657 -13.588 -11.604) 17.881 14.985 ( -0.215 -28.152 19.403) 34.192======================= Grid point 145 (81/105) =======================q-point: ( 0.69 -0.19 -0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.578 ( -3.037 2.076 0.708) 3.746 1.713 ( 3.319 -2.323 1.486) 4.315 2.146 ( -1.158 1.738 -0.103) 2.091 2.274 ( 4.328 -5.278 -1.677) 7.028 2.974 ( -5.041 5.921 -1.730) 7.966 3.202 ( 4.526 -4.829 0.978) 6.691 3.587 ( -5.886 7.067 -3.825) 9.960 3.723 ( -3.052 -6.475 2.316) 7.524 3.738 ( 6.327 0.593 1.552) 6.542 3.842 ( 5.787 -4.542 1.247) 7.461 4.918 ( -3.009 2.645 1.091) 4.152 5.057 ( 3.780 -2.986 -1.917) 5.184 5.219 ( -1.837 1.270 1.497) 2.689 5.278 ( -0.755 0.834 -0.306) 1.166 5.907 ( -1.126 0.912 0.888) 1.699 6.161 ( 7.972 -8.010 -0.533) 11.313 6.751 ( -1.513 2.320 1.674) 3.236 6.889 ( 4.614 -5.365 -1.501) 7.233 7.595 ( -5.900 5.821 0.493) 8.303 7.898 ( 8.013 -7.634 -1.564) 11.178 8.120 ( -6.071 6.545 -0.926) 8.975 8.367 ( 3.979 -4.725 2.276) 6.583 9.083 ( -10.230 10.237 -1.767) 14.580 9.333 ( 1.918 1.864 1.725) 3.183 9.518 ( -4.947 -1.697 3.783) 6.455 9.654 ( 5.243 -2.124 -2.833) 6.327 10.693 ( -16.381 0.442 1.536) 16.459 10.764 ( 1.882 14.700 -0.381) 14.825 10.946 ( 3.622 2.819 -1.871) 4.956 11.003 ( 3.422 -9.940 1.371) 10.601 11.632 ( -7.513 6.711 -3.148) 10.554 12.146 ( 14.189 -14.230 0.427) 20.099 13.183 ( -5.480 4.265 -2.025) 7.234 13.261 ( 0.975 0.329 1.013) 1.444 13.847 ( -6.223 6.465 5.544) 10.548 14.364 ( 15.436 -15.622 -3.938) 22.312======================= Grid point 149 (82/105) =======================q-point: (-0.54 -0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.442 ( 3.767 -0.659 -8.768) 9.565 1.566 ( -1.103 0.086 -7.392) 7.475 2.059 ( 4.355 -1.834 3.480) 5.869 2.381 ( -3.333 -4.730 4.529) 7.348 2.691 ( -1.993 -4.014 0.431) 4.502 3.081 ( 4.514 -0.602 10.729) 11.656 3.715 ( -5.648 -8.840 -0.098) 10.491 3.892 ( 4.160 -3.883 -4.005) 6.959 4.149 ( -1.557 3.779 -5.041) 6.489 4.268 ( -5.770 -0.741 -3.717) 6.904 4.618 ( -1.170 2.587 -3.408) 4.436 5.044 ( -2.206 5.362 -1.508) 5.991 5.107 ( 3.800 -5.708 2.262) 7.221 5.429 ( 7.369 0.615 4.276) 8.541 6.171 ( 0.479 3.654 3.604) 5.154 6.369 ( 0.847 -0.547 7.389) 7.458 7.099 ( -3.681 7.261 1.933) 8.367 7.510 ( 0.023 6.360 -16.956) 18.110 7.604 ( -2.891 -0.390 -7.030) 7.611 7.742 ( -0.772 -6.201 -1.401) 6.404 8.275 ( 3.366 2.821 -1.317) 4.585 8.583 ( 2.210 -1.096 4.800) 5.397 8.806 ( -7.887 2.865 -2.278) 8.695 8.860 ( 3.518 -2.735 1.858) 4.828 9.356 ( 1.337 1.804 -7.051) 7.400 9.519 ( -1.491 2.766 -0.258) 3.152 10.119 ( -1.110 7.164 4.864) 8.730 10.293 ( 2.445 -7.385 7.958) 11.128 10.868 ( 5.053 7.540 4.619) 10.184 11.536 ( 0.381 -1.581 -0.704) 1.772 11.936 ( -5.047 9.331 -10.871) 15.190 12.324 ( -4.583 6.579 4.352) 9.123 12.896 ( -0.229 0.717 -0.511) 0.910 13.193 ( 0.597 0.026 -0.099) 0.605 14.027 ( 6.026 1.301 -1.943) 6.464 15.458 ( -1.781 -14.333 5.339) 15.399======================= Grid point 150 (83/105) =======================q-point: (-0.54 -0.21 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.505 ( 2.247 -1.665 -11.657) 11.988 1.562 ( 6.055 -4.717 -13.033) 15.125 2.114 ( 4.422 -1.727 6.835) 8.322 2.266 ( -1.263 -2.389 8.227) 8.659 2.563 ( -5.047 1.348 -4.404) 6.833 3.190 ( -0.887 2.608 3.622) 4.551 3.328 ( -3.181 -10.054 2.813) 10.914 3.940 ( 7.149 -4.057 -5.890) 10.113 4.089 ( -3.682 -2.615 -5.261) 6.933 4.318 ( 5.859 4.710 -2.487) 7.918 4.557 ( 1.433 -5.435 0.146) 5.622 5.040 ( 2.515 -7.020 5.507) 9.270 5.150 ( -4.571 10.100 1.340) 11.167 5.562 ( -1.746 3.981 2.079) 4.819 6.251 ( 3.127 -0.418 1.099) 3.340 6.312 ( 0.740 -7.139 0.538) 7.198 7.172 ( -1.401 2.085 2.677) 3.671 7.400 ( -10.335 10.276 -6.499) 15.958 7.649 ( -1.870 -0.708 -4.198) 4.650 7.713 ( 4.512 0.115 -3.642) 5.800 8.275 ( -7.364 1.612 -0.278) 7.544 8.585 ( 0.376 -3.057 -1.989) 3.666 8.823 ( 6.474 3.895 -1.698) 7.744 8.963 ( 5.259 -2.347 -5.469) 7.942 9.401 ( -1.866 0.442 6.301) 6.586 9.561 ( 2.084 3.749 -5.875) 7.274 10.083 ( -3.805 -3.454 10.168) 11.392 10.254 ( 4.004 -4.107 7.077) 9.110 11.218 ( 3.091 12.657 -0.838) 13.056 11.489 ( -6.224 0.664 -1.690) 6.483 11.961 ( -13.936 14.320 -9.925) 22.311 12.364 ( -7.510 10.893 5.454) 14.311 12.975 ( 4.436 0.181 -1.153) 4.587 13.214 ( 0.524 -1.040 1.342) 1.776 14.199 ( 10.075 -2.408 -12.658) 16.357 15.021 ( -4.549 -14.354 14.620) 20.988======================= Grid point 151 (84/105) =======================q-point: (-0.54 -0.21 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.438 ( 1.414 -4.766 -9.746) 10.941 1.617 ( 3.499 -3.181 -12.338) 13.213 2.044 ( -4.912 -2.820 8.035) 9.831 2.287 ( 6.979 0.493 6.875) 9.809 2.646 ( 1.232 5.037 -7.341) 8.987 2.983 ( -3.459 -0.363 9.023) 9.670 3.512 ( 10.125 6.362 -6.088) 13.418 3.829 ( 1.676 -8.977 -1.314) 9.226 4.153 ( 2.589 2.390 -6.124) 7.066 4.406 ( 2.589 -7.382 2.124) 8.106 4.603 ( 7.588 -0.265 -6.803) 10.194 4.960 ( 1.968 -2.025 8.868) 9.307 5.253 ( -6.700 9.014 1.487) 11.329 5.390 ( -12.053 -2.358 2.807) 12.598 6.190 ( 2.885 -3.619 2.172) 5.113 6.340 ( 2.860 -0.141 0.704) 2.949 7.215 ( 2.641 1.521 -2.406) 3.883 7.498 ( -7.375 0.613 4.528) 8.676 7.548 ( -3.668 10.362 -7.087) 13.079 7.809 ( 3.980 -2.617 -9.491) 10.619 8.181 ( -4.760 4.095 -5.528) 8.365 8.558 ( 0.633 -0.597 -0.383) 0.950 8.898 ( 5.678 -9.041 0.492) 10.687 8.981 ( -5.642 2.677 0.115) 6.246 9.340 ( 0.903 -1.270 0.480) 1.631 9.658 ( 0.258 -6.210 4.319) 7.568 9.998 ( -0.514 8.132 -1.313) 8.253 10.277 ( 4.979 -4.326 10.295) 12.226 11.129 ( -17.803 -1.154 -0.289) 17.842 11.481 ( -2.492 6.031 -0.790) 6.574 12.022 ( -9.128 12.465 -8.319) 17.547 12.499 ( -5.754 8.553 2.646) 10.643 12.982 ( -0.555 -3.930 -2.940) 4.939 13.161 ( 0.630 -1.990 2.997) 3.652 14.083 ( -2.983 -9.199 -8.907) 13.147 15.074 ( 16.184 3.464 11.718) 20.279======================= Grid point 160 (85/105) =======================q-point: ( 0.22 -0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.259 ( 6.895 10.955 0.000) 12.944 1.505 ( 1.566 9.332 0.000) 9.462 2.351 ( -0.696 4.880 -0.000) 4.929 2.453 ( 3.066 -11.953 0.000) 12.340 2.890 ( -3.306 -6.342 -0.000) 7.153 2.896 ( -0.617 0.651 -0.000) 0.897 3.862 ( -6.063 6.440 -0.000) 8.845 3.897 ( -5.290 -0.860 -0.000) 5.360 4.162 ( 0.010 5.183 -0.000) 5.183 4.164 ( -1.957 -1.217 -0.000) 2.305 4.312 ( 6.328 13.944 0.000) 15.312 4.789 ( 7.241 16.148 0.000) 17.697 5.143 ( -1.132 -3.629 -0.000) 3.801 5.537 ( 5.033 -4.633 0.000) 6.841 6.066 ( -0.709 -10.462 0.000) 10.486 6.369 ( -5.007 -2.787 -0.000) 5.730 6.723 ( 0.560 10.305 -0.000) 10.320 7.501 ( -2.300 -0.589 -0.000) 2.374 7.688 ( 15.313 4.853 0.000) 16.064 7.849 ( -8.953 -2.491 -0.000) 9.292 8.148 ( -17.211 -0.933 -0.000) 17.236 8.608 ( -5.391 6.021 -0.000) 8.082 8.783 ( 11.529 2.062 0.000) 11.712 8.973 ( -0.086 -9.929 0.000) 9.929 9.360 ( -4.316 0.996 -0.000) 4.430 9.587 ( 2.268 3.703 0.000) 4.342 9.602 ( 16.000 2.064 0.000) 16.132 10.491 ( -2.792 -5.235 -0.000) 5.933 11.046 ( -0.906 -12.910 -0.000) 12.942 11.522 ( 1.388 5.565 0.000) 5.735 11.949 ( -10.913 -2.390 -0.000) 11.171 12.028 ( 3.324 3.262 0.000) 4.657 12.845 ( -1.576 1.307 -0.000) 2.048 13.158 ( -2.772 0.938 -0.000) 2.926 13.845 ( 8.125 4.851 0.000) 9.463 15.958 ( -1.634 -9.125 -0.000) 9.270======================= Grid point 161 (86/105) =======================q-point: ( 0.22 -0.22 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.645 ( 1.091 2.054 0.000) 2.326 1.659 ( 10.174 6.928 0.000) 12.309 2.311 ( -2.696 -2.847 -0.000) 3.921 2.312 ( 4.119 -9.426 0.000) 10.287 2.716 ( -2.107 -6.378 -0.000) 6.717 2.914 ( 0.632 1.936 0.000) 2.037 3.759 ( -5.959 -5.478 -0.000) 8.094 3.853 ( -3.274 5.507 -0.000) 6.406 4.087 ( -1.914 3.594 -0.000) 4.071 4.256 ( -1.003 3.641 -0.000) 3.777 4.584 ( -0.313 3.834 -0.000) 3.846 5.027 ( -1.843 -3.619 -0.000) 4.061 5.203 ( 3.448 7.846 0.000) 8.570 5.522 ( -0.657 -1.868 -0.000) 1.980 5.942 ( 1.986 1.021 0.000) 2.234 6.345 ( 2.002 1.361 0.000) 2.421 6.904 ( 0.599 5.467 0.000) 5.500 7.534 ( 0.769 6.089 0.000) 6.137 7.554 ( -13.841 -6.507 -0.000) 15.294 7.848 ( -10.244 7.681 -0.000) 12.804 8.021 ( 5.780 -2.008 0.000) 6.118 8.581 ( -3.539 3.544 -0.000) 5.008 8.810 ( 2.710 -2.185 0.000) 3.481 9.141 ( 14.062 2.765 0.000) 14.331 9.231 ( -9.770 3.741 -0.000) 10.462 9.816 ( 10.244 -0.865 0.000) 10.281 9.893 ( 13.021 -4.864 0.000) 13.900 10.355 ( -3.715 -1.862 -0.000) 4.155 10.858 ( 1.102 -3.356 0.000) 3.532 11.461 ( -7.452 3.466 -0.000) 8.218 11.858 ( -2.628 -2.536 -0.000) 3.652 12.045 ( -3.608 1.649 -0.000) 3.967 12.948 ( 5.945 1.588 0.000) 6.153 13.122 ( -2.871 2.948 -0.000) 4.115 14.110 ( 5.967 7.430 0.000) 9.529 15.536 ( -15.501 -13.018 -0.000) 20.243======================= Grid point 162 (87/105) =======================q-point: (-0.78 -0.22 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.708 ( 1.467 0.912 0.000) 1.727 1.889 ( 1.528 1.721 0.000) 2.301 2.160 ( 0.683 -7.874 0.000) 7.904 2.209 ( -1.282 -3.118 -0.000) 3.371 2.515 ( -0.878 -5.644 -0.000) 5.712 3.065 ( 5.836 4.496 0.000) 7.367 3.426 ( -5.523 -8.344 -0.000) 10.007 4.000 ( 2.338 7.597 0.000) 7.949 4.222 ( -5.120 -1.266 -0.000) 5.274 4.244 ( 0.264 8.346 -0.000) 8.350 4.608 ( 2.475 0.895 0.000) 2.632 4.949 ( -1.914 0.591 -0.000) 2.003 5.228 ( 0.443 -7.227 0.000) 7.241 5.407 ( -7.396 -0.887 -0.000) 7.449 6.189 ( 4.386 11.175 0.000) 12.005 6.377 ( -2.630 0.935 -0.000) 2.791 7.075 ( 5.883 5.484 0.000) 8.043 7.101 ( -13.316 -2.338 -0.000) 13.520 7.661 ( -9.124 0.435 -0.000) 9.135 7.866 ( 2.740 -2.465 0.000) 3.685 7.941 ( -1.677 8.155 -0.000) 8.326 8.645 ( 1.925 2.444 0.000) 3.111 8.972 ( 2.841 -4.193 0.000) 5.064 9.150 ( -5.805 12.225 -0.000) 13.533 9.443 ( 13.006 -2.401 0.000) 13.225 9.871 ( 9.220 -11.744 0.000) 14.931 9.909 ( 1.502 -8.689 0.000) 8.818 10.267 ( 1.323 -1.634 0.000) 2.103 11.019 ( 3.591 12.525 0.000) 13.030 11.463 ( -8.309 -9.365 -0.000) 12.520 11.548 ( -12.016 8.898 -0.000) 14.952 12.080 ( 4.199 3.607 0.000) 5.536 13.073 ( 2.455 0.626 0.000) 2.533 13.168 ( -0.271 2.432 -0.000) 2.447 14.478 ( 9.138 13.512 0.000) 16.312 14.823 ( -22.857 -14.016 -0.000) 26.812======================= Grid point 164 (88/105) =======================q-point: ( 0.22 0.78 -0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.637 ( -2.211 -6.827 -0.000) 7.176 1.762 ( -8.790 -3.404 -0.000) 9.426 2.117 ( 3.247 -3.930 0.000) 5.098 2.165 ( 3.566 3.497 0.000) 4.994 2.636 ( 8.223 5.858 0.000) 10.096 3.024 ( 1.885 -10.578 0.000) 10.745 3.573 ( 8.823 12.456 0.000) 15.264 4.000 ( -5.162 -3.147 -0.000) 6.046 4.195 ( 0.352 2.141 0.000) 2.170 4.326 ( -8.092 6.667 -0.000) 10.485 4.795 ( 6.710 7.455 0.000) 10.030 4.953 ( -7.242 -11.392 -0.000) 13.499 4.973 ( -1.741 4.291 -0.000) 4.631 5.228 ( -3.382 -3.403 -0.000) 4.797 6.268 ( -7.629 -0.844 -0.000) 7.675 6.386 ( 6.646 -5.128 0.000) 8.395 7.036 ( -4.764 15.948 -0.000) 16.644 7.270 ( -13.110 -5.584 -0.000) 14.250 7.430 ( 6.672 10.479 0.000) 12.423 8.087 ( 4.723 5.377 0.000) 7.156 8.092 ( 7.020 6.294 0.000) 9.428 8.661 ( 0.674 -8.989 0.000) 9.014 8.692 ( -12.155 -2.800 -0.000) 12.473 9.313 ( -0.538 3.755 -0.000) 3.793 9.444 ( -1.154 -13.973 -0.000) 14.021 9.693 ( -3.799 -4.090 -0.000) 5.582 9.945 ( 11.671 0.610 0.000) 11.687 10.379 ( 11.656 -5.097 0.000) 12.722 10.773 ( -22.006 -10.004 -0.000) 24.173 11.350 ( 2.651 9.447 0.000) 9.812 11.728 ( -3.486 13.530 -0.000) 13.972 12.378 ( 11.722 3.058 0.000) 12.114 13.073 ( -1.987 1.141 -0.000) 2.291 13.142 ( -0.811 -4.020 -0.000) 4.101 14.095 ( -20.902 -7.983 -0.000) 22.375 15.047 ( 12.439 17.071 0.000) 21.122======================= Grid point 166 (89/105) =======================q-point: ( 0.22 -0.22 -0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.415 ( -6.456 -3.873 -0.000) 7.529 1.593 ( -3.620 0.512 -0.000) 3.656 2.194 ( 8.307 -0.253 0.000) 8.311 2.328 ( 2.569 3.597 0.000) 4.421 2.880 ( 2.637 2.906 0.000) 3.924 2.901 ( 4.784 -7.950 0.000) 9.278 3.909 ( 2.612 -2.094 0.000) 3.348 3.931 ( 1.473 5.154 0.000) 5.360 4.184 ( -1.565 -0.325 -0.000) 1.598 4.279 ( -8.182 7.849 -0.000) 11.338 4.536 ( -9.795 -8.438 -0.000) 12.929 4.948 ( -12.268 8.132 -0.000) 14.719 5.135 ( 1.272 -3.387 0.000) 3.618 5.192 ( 10.545 9.163 0.000) 13.970 6.068 ( -4.059 -3.995 -0.000) 5.695 6.383 ( 6.739 -6.634 0.000) 9.457 6.951 ( -10.158 -1.890 -0.000) 10.332 7.377 ( -3.075 20.130 -0.000) 20.364 7.586 ( -2.294 0.680 -0.000) 2.393 8.139 ( -1.262 -15.607 -0.000) 15.658 8.443 ( -0.571 -4.543 -0.000) 4.579 8.498 ( 16.690 9.883 0.000) 19.396 8.538 ( -3.418 7.512 -0.000) 8.253 8.977 ( -10.044 -13.020 -0.000) 16.444 9.394 ( -2.083 8.241 -0.000) 8.500 9.521 ( -5.051 -4.389 -0.000) 6.692 9.969 ( -13.879 -14.089 -0.000) 19.777 10.270 ( 10.813 4.778 0.000) 11.822 10.764 ( 12.636 1.514 0.000) 12.726 11.515 ( -0.497 4.518 -0.000) 4.545 11.927 ( -3.680 11.917 -0.000) 12.472 12.315 ( -1.209 -17.545 0.000) 17.587 12.988 ( -0.807 -7.909 -0.000) 7.950 13.182 ( 1.851 3.443 0.000) 3.909 13.750 ( -9.690 8.018 -0.000) 12.577 15.626 ( 11.997 11.262 0.000) 16.454======================= Grid point 182 (90/105) =======================q-point: (-0.25 -0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.963 ( 0.000 -0.000 -19.468) 19.468 0.963 ( 0.000 -0.000 -19.468) 19.468 2.041 ( 0.000 -0.000 -40.299) 40.299 2.374 ( -0.000 0.000 10.209) 10.209 2.374 ( -0.000 0.000 10.209) 10.209 3.219 ( -0.000 0.000 3.000) 3.000 3.219 ( -0.000 0.000 3.000) 3.000 3.687 ( 0.000 -0.000 -1.129) 1.129 4.091 ( 0.000 -0.000 -8.725) 8.725 4.133 ( 0.000 -0.000 -3.345) 3.345 4.133 ( 0.000 -0.000 -3.345) 3.345 5.147 ( -0.000 0.000 11.039) 11.039 5.771 ( -0.000 0.000 4.286) 4.286 5.811 ( 0.000 -0.000 -4.043) 4.043 6.141 ( -0.000 0.000 9.007) 9.007 6.141 ( -0.000 0.000 9.007) 9.007 6.918 ( 0.000 -0.000 -0.581) 0.581 7.729 ( 0.000 -0.000 -3.790) 3.790 7.729 ( 0.000 -0.000 -3.790) 3.790 7.890 ( -0.000 0.000 7.181) 7.181 7.936 ( 0.000 -0.000 -12.958) 12.958 8.585 ( 0.000 -0.000 -1.201) 1.201 8.585 ( 0.000 -0.000 -1.201) 1.201 9.407 ( 0.000 -0.000 -1.196) 1.196 9.407 ( 0.000 -0.000 -1.196) 1.196 9.652 ( -0.000 0.000 15.051) 15.051 9.975 ( 0.000 -0.000 -0.380) 0.380 10.249 ( -0.000 0.000 2.791) 2.791 11.346 ( -0.000 0.000 2.734) 2.734 11.834 ( -0.000 0.000 3.268) 3.268 12.855 ( 0.000 -0.000 -2.585) 2.585 12.855 ( 0.000 -0.000 -2.585) 2.585 13.184 ( -0.000 0.000 1.165) 1.165 13.184 ( -0.000 0.000 1.165) 1.165 13.275 ( 0.000 -0.000 -18.104) 18.104 14.527 ( -0.000 0.000 7.820) 7.820======================= Grid point 191 (91/105) =======================q-point: (-0.49 -0.26 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.409 ( 2.663 -2.019 -11.892) 12.352 1.556 ( -2.356 -2.794 -12.991) 13.495 2.033 ( 2.024 0.799 8.446) 8.722 2.293 ( -0.563 -3.913 6.320) 7.454 2.655 ( -2.916 1.404 -6.828) 7.557 3.084 ( 7.414 0.734 7.494) 10.567 3.503 ( -8.656 -10.765 -2.189) 13.986 3.783 ( 6.136 -5.790 -3.825) 9.263 4.188 ( -1.493 -0.706 -4.445) 4.742 4.243 ( -3.236 -1.135 -1.473) 3.732 4.571 ( -2.141 -6.274 -4.236) 7.867 4.978 ( 2.756 -5.488 8.318) 10.340 5.262 ( -5.616 14.162 0.024) 15.235 5.480 ( 8.022 4.435 3.926) 9.972 6.191 ( 2.559 -1.356 -0.755) 2.993 6.319 ( -1.340 -5.150 3.498) 6.368 7.213 ( -1.560 0.023 -0.403) 1.612 7.547 ( 1.822 0.822 -2.075) 2.881 7.652 ( -2.296 1.783 -5.234) 5.987 7.683 ( -3.254 3.941 -4.978) 7.135 8.304 ( 5.109 0.067 -8.136) 9.607 8.616 ( 1.803 1.902 3.080) 4.045 8.738 ( -3.069 -6.063 -1.995) 7.082 8.932 ( -3.546 7.919 4.394) 9.726 9.400 ( 4.167 1.936 -7.005) 8.378 9.545 ( -2.998 -0.656 7.381) 7.993 10.151 ( 3.978 -3.820 1.116) 5.627 10.182 ( -2.982 -2.424 9.844) 10.567 11.151 ( 2.685 15.766 0.159) 15.994 11.540 ( 0.229 2.944 -0.140) 2.956 12.173 ( -1.668 14.243 -9.946) 17.452 12.533 ( -5.672 13.216 2.208) 14.550 12.908 ( -0.429 0.468 -1.196) 1.354 13.184 ( 2.615 -0.732 0.376) 2.741 14.007 ( 4.096 -3.619 -7.132) 8.985 15.098 ( -1.597 -20.086 10.884) 22.901======================= Grid point 192 (92/105) =======================q-point: (-0.49 -0.26 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.418 ( 0.228 -5.588 -12.340) 13.548 1.479 ( 7.796 -2.580 -13.300) 15.631 2.147 ( 1.299 2.771 5.964) 6.704 2.179 ( -1.870 -3.354 8.258) 9.107 2.672 ( -3.369 6.691 -12.472) 14.549 3.109 ( -7.694 -5.607 5.306) 10.900 3.299 ( 9.922 2.674 -2.492) 10.573 3.768 ( 4.361 -8.872 -1.344) 9.976 4.106 ( 0.451 2.639 -4.855) 5.545 4.321 ( 5.253 -5.521 2.151) 7.919 4.446 ( 5.385 -2.973 -6.672) 9.075 4.921 ( 1.831 -3.602 10.740) 11.475 5.393 ( -7.672 12.032 2.476) 14.483 5.650 ( -8.060 2.308 1.261) 8.478 6.110 ( 2.513 -6.656 4.302) 8.314 6.249 ( 5.617 -2.397 -2.754) 6.699 7.146 ( 2.817 -2.544 -4.235) 5.687 7.605 ( -2.247 0.654 7.634) 7.984 7.643 ( -4.461 8.569 -2.864) 10.076 7.767 ( -0.059 1.119 -6.444) 6.541 8.279 ( -3.046 -0.322 -10.365) 10.808 8.549 ( -1.631 0.670 -1.419) 2.263 8.763 ( 7.138 -5.790 -0.408) 9.200 9.074 ( -2.789 7.145 3.513) 8.436 9.374 ( -4.428 -1.840 7.437) 8.849 9.578 ( 6.123 -1.783 -0.873) 6.437 10.042 ( -2.207 -0.499 2.311) 3.234 10.182 ( 3.472 -2.316 6.764) 7.948 11.345 ( -3.156 1.382 -4.887) 5.980 11.601 ( -6.182 6.104 4.018) 9.572 12.326 ( -18.767 19.023 -10.432) 28.687 12.673 ( -10.390 16.749 2.455) 19.862 12.966 ( 2.797 -1.100 -2.430) 3.865 13.154 ( -0.661 -3.916 2.871) 4.900 14.052 ( 7.364 -11.586 -15.141) 20.438 14.745 ( 12.581 -10.290 16.482) 23.148======================= Grid point 202 (93/105) =======================q-point: ( 0.28 -0.28 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.451 ( 7.248 6.981 0.000) 10.063 1.616 ( 1.489 1.733 0.000) 2.284 2.225 ( 3.196 -8.621 0.000) 9.195 2.356 ( -0.892 -2.951 -0.000) 3.083 2.776 ( -4.006 -4.586 -0.000) 6.089 2.914 ( 0.315 0.886 0.000) 0.940 3.846 ( -3.237 -4.577 -0.000) 5.606 3.943 ( -3.610 1.544 -0.000) 3.926 4.153 ( -3.042 1.098 -0.000) 3.234 4.276 ( -2.466 4.836 -0.000) 5.428 4.553 ( 4.153 8.503 0.000) 9.463 5.071 ( -2.499 -2.906 -0.000) 3.833 5.099 ( 6.128 9.831 0.000) 11.584 5.408 ( 9.925 -6.865 0.000) 12.068 5.972 ( -4.203 2.931 -0.000) 5.124 6.312 ( -0.111 -2.350 0.000) 2.353 6.918 ( -1.362 7.761 -0.000) 7.879 7.553 ( -2.052 4.924 -0.000) 5.335 7.773 ( 16.057 2.109 0.000) 16.195 7.826 ( -13.495 -0.053 -0.000) 13.495 8.158 ( -16.243 2.166 -0.000) 16.387 8.696 ( 7.965 -12.768 0.000) 15.049 8.737 ( -9.878 5.468 -0.000) 11.290 8.834 ( 14.816 1.996 0.000) 14.950 9.424 ( -6.130 3.246 -0.000) 6.937 9.615 ( 12.443 -1.235 0.000) 12.504 9.741 ( -5.074 10.058 -0.000) 11.265 10.367 ( 2.812 -5.827 0.000) 6.470 10.813 ( 2.715 -7.692 0.000) 8.157 11.564 ( -0.824 -0.539 -0.000) 0.985 11.989 ( -11.613 5.842 -0.000) 12.999 12.090 ( 2.071 2.777 0.000) 3.464 12.873 ( -0.928 1.349 -0.000) 1.637 13.184 ( -2.283 1.167 -0.000) 2.564 13.945 ( 9.305 4.822 0.000) 10.480 15.727 ( -2.152 -12.967 -0.000) 13.145======================= Grid point 203 (94/105) =======================q-point: (-0.72 -0.28 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.673 ( 1.671 1.669 0.000) 2.361 1.741 ( 10.195 1.179 0.000) 10.263 2.119 ( 2.866 -9.134 0.000) 9.573 2.245 ( -1.929 -3.195 -0.000) 3.732 2.604 ( -5.369 -3.473 -0.000) 6.394 2.995 ( 1.663 5.984 0.000) 6.211 3.561 ( -6.719 -12.285 -0.000) 14.002 3.956 ( 1.157 4.437 0.000) 4.586 4.209 ( 1.581 6.643 0.000) 6.829 4.285 ( -1.113 -1.918 -0.000) 2.218 4.607 ( -2.239 -1.382 -0.000) 2.631 5.004 ( -2.824 2.488 -0.000) 3.763 5.179 ( 3.957 -8.064 0.000) 8.982 5.495 ( 0.776 -0.031 0.000) 0.777 6.108 ( 1.842 9.759 0.000) 9.931 6.365 ( 3.389 0.375 0.000) 3.410 7.018 ( -0.619 6.171 -0.000) 6.202 7.440 ( -17.412 -3.649 -0.000) 17.790 7.690 ( 2.022 7.939 0.000) 8.192 7.885 ( 0.938 -10.077 0.000) 10.121 8.045 ( -8.044 10.267 -0.000) 13.043 8.636 ( -2.230 0.687 -0.000) 2.333 8.807 ( 9.495 2.446 0.000) 9.805 9.133 ( 15.038 -3.426 0.000) 15.423 9.330 ( -7.343 2.533 -0.000) 7.767 9.785 ( 9.222 -4.410 0.000) 10.222 9.785 ( -2.465 0.450 -0.000) 2.506 10.289 ( -1.056 -4.504 -0.000) 4.627 10.930 ( 5.180 10.124 0.000) 11.372 11.525 ( -1.560 0.750 -0.000) 1.731 11.888 ( -15.834 7.298 -0.000) 17.435 12.093 ( -4.308 3.534 -0.000) 5.572 12.976 ( 5.822 1.055 0.000) 5.917 13.182 ( -1.020 2.159 -0.000) 2.387 14.259 ( 11.230 6.570 0.000) 13.010 15.224 ( -14.373 -16.765 -0.000) 22.082======================= Grid point 205 (95/105) =======================q-point: ( 0.28 0.72 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.667 ( -0.931 -4.997 -0.000) 5.083 1.879 ( 1.546 -2.169 0.000) 2.663 2.077 ( 4.704 0.521 0.000) 4.732 2.093 ( -2.415 -7.353 -0.000) 7.739 2.529 ( 0.354 6.686 -0.000) 6.695 3.047 ( -4.303 -7.644 -0.000) 8.773 3.393 ( 7.765 7.071 0.000) 10.502 4.082 ( -1.619 -7.245 -0.000) 7.424 4.166 ( 2.006 3.373 0.000) 3.925 4.385 ( 1.793 3.704 0.000) 4.115 4.641 ( 6.306 2.454 0.000) 6.767 5.020 ( 0.628 -11.063 0.000) 11.081 5.035 ( -3.992 7.109 -0.000) 8.153 5.390 ( -10.253 -0.601 -0.000) 10.270 6.259 ( 5.383 -4.326 0.000) 6.906 6.379 ( -2.205 -0.961 -0.000) 2.405 7.120 ( -1.267 6.231 -0.000) 6.358 7.329 ( -1.315 15.629 -0.000) 15.685 7.535 ( -10.869 -8.378 -0.000) 13.723 7.943 ( 6.881 5.011 0.000) 8.512 8.105 ( -5.051 7.599 -0.000) 9.124 8.624 ( 1.738 -4.470 0.000) 4.796 8.890 ( -4.418 -3.215 -0.000) 5.464 9.295 ( 1.713 -0.334 0.000) 1.745 9.308 ( 12.219 -9.510 0.000) 15.484 9.756 ( -1.180 -6.698 -0.000) 6.801 9.799 ( 0.945 7.212 0.000) 7.274 10.216 ( 3.777 -2.830 0.000) 4.719 11.245 ( -19.674 -8.143 -0.000) 21.292 11.296 ( 2.561 12.101 0.000) 12.369 11.834 ( -8.401 14.848 -0.000) 17.060 12.209 ( 3.410 9.339 0.000) 9.942 13.079 ( 1.931 0.135 0.000) 1.936 13.165 ( -1.278 -3.044 -0.000) 3.301 14.510 ( -17.845 -15.599 -0.000) 23.701 14.746 ( 16.179 11.444 0.000) 19.817======================= Grid point 207 (96/105) =======================q-point: ( 0.28 0.72 -0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.516 ( -3.234 -3.039 -0.000) 4.437 1.684 ( -6.147 -3.120 -0.000) 6.894 2.062 ( 5.444 -1.154 0.000) 5.565 2.243 ( 4.960 3.027 0.000) 5.810 2.797 ( 4.404 8.221 0.000) 9.326 2.829 ( 1.396 -7.569 0.000) 7.697 3.815 ( 8.518 9.383 0.000) 12.673 3.865 ( 1.588 -8.082 0.000) 8.237 4.233 ( -2.248 0.538 -0.000) 2.311 4.394 ( -1.991 -1.338 -0.000) 2.399 4.748 ( -8.103 -6.413 -0.000) 10.334 4.949 ( 11.555 6.463 0.000) 13.240 5.128 ( -4.960 10.313 -0.000) 11.444 5.144 ( -4.191 -4.203 -0.000) 5.936 6.219 ( -8.131 -3.580 -0.000) 8.884 6.263 ( 4.756 -3.463 0.000) 5.884 7.164 ( -10.318 -4.509 -0.000) 11.260 7.402 ( 1.761 16.753 0.000) 16.845 7.622 ( -0.454 6.270 -0.000) 6.287 8.086 ( 5.140 -8.987 0.000) 10.353 8.248 ( 4.794 10.610 0.000) 11.643 8.473 ( -2.090 -7.849 -0.000) 8.123 8.678 ( -7.664 2.874 -0.000) 8.185 9.128 ( -3.235 -15.008 -0.000) 15.352 9.383 ( 2.754 5.238 0.000) 5.918 9.583 ( -1.078 -6.264 -0.000) 6.357 10.089 ( 6.033 9.692 0.000) 11.416 10.194 ( -2.202 -11.286 -0.000) 11.498 10.710 ( -12.421 2.395 -0.000) 12.650 11.496 ( 1.376 4.349 0.000) 4.561 12.005 ( -4.118 11.752 -0.000) 12.453 12.360 ( -3.014 -4.954 -0.000) 5.799 13.010 ( -1.292 -7.586 -0.000) 7.695 13.138 ( 1.927 4.235 0.000) 4.653 13.979 ( -11.161 -2.102 -0.000) 11.357 15.331 ( 16.204 9.126 0.000) 18.597======================= Grid point 234 (97/105) =======================q-point: (-0.43 -0.32 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.366 ( 1.646 -1.815 -13.409) 13.631 1.433 ( -1.597 -7.081 -13.236) 15.095 2.114 ( -0.596 5.353 6.636) 8.547 2.216 ( 0.881 -3.025 7.241) 7.897 2.742 ( -1.386 6.062 -17.246) 18.333 3.107 ( 6.013 1.309 5.279) 8.108 3.275 ( -5.786 -10.546 -3.559) 12.544 3.681 ( 1.728 -3.294 1.952) 4.201 4.160 ( -3.445 -0.594 -2.231) 4.147 4.204 ( 2.874 -2.576 -0.850) 3.952 4.409 ( -0.905 -7.810 -6.610) 10.271 4.892 ( 0.499 -2.647 12.297) 12.589 5.567 ( -6.718 12.175 1.891) 14.033 5.629 ( 6.987 10.601 2.468) 12.934 6.115 ( 5.662 -6.002 0.953) 8.306 6.162 ( -5.273 -8.830 1.199) 10.355 7.114 ( -0.020 -5.741 -7.526) 9.465 7.621 ( 0.333 3.912 9.651) 10.419 7.724 ( -2.151 4.696 -2.534) 5.753 7.764 ( 0.608 2.097 -2.938) 3.660 8.292 ( 1.122 -0.735 -14.984) 15.043 8.620 ( 5.062 -1.183 0.189) 5.202 8.639 ( -5.209 -3.042 -0.980) 6.111 9.120 ( -1.756 8.719 12.242) 15.131 9.430 ( 6.495 0.933 -4.823) 8.144 9.495 ( -5.397 -3.469 7.337) 9.747 10.052 ( 0.938 -4.574 0.585) 4.706 10.153 ( -0.519 -0.400 5.623) 5.661 11.362 ( 0.436 4.250 -5.288) 6.798 11.664 ( 0.038 6.245 5.011) 8.007 12.596 ( 0.700 24.461 -8.517) 25.911 12.838 ( -1.939 13.019 1.584) 13.258 12.926 ( -3.143 3.217 -1.184) 4.651 13.169 ( 3.091 -0.597 0.610) 3.207 13.865 ( 1.590 -9.757 -13.032) 16.357 14.625 ( -0.768 -23.182 13.390) 26.782======================= Grid point 245 (98/105) =======================q-point: (-0.67 -0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.550 ( 6.277 2.495 0.000) 6.755 1.651 ( 0.023 3.312 -0.000) 3.313 2.067 ( 1.564 -7.601 0.000) 7.760 2.273 ( -0.251 -4.430 0.000) 4.438 2.705 ( -4.625 -1.541 -0.000) 4.875 2.940 ( 4.635 1.802 0.000) 4.973 3.702 ( -7.032 -8.367 -0.000) 10.929 3.936 ( 2.138 -2.291 0.000) 3.134 4.213 ( -1.612 3.662 -0.000) 4.002 4.320 ( -3.186 -1.306 -0.000) 3.443 4.667 ( -2.868 1.924 -0.000) 3.454 5.064 ( -3.180 4.049 -0.000) 5.149 5.074 ( 5.628 -9.740 0.000) 11.249 5.362 ( 10.389 1.906 0.000) 10.563 6.135 ( -3.642 9.285 -0.000) 9.974 6.274 ( 3.812 -1.513 0.000) 4.102 7.074 ( -3.911 7.881 -0.000) 8.798 7.659 ( 2.753 1.993 0.000) 3.399 7.740 ( 10.286 -3.324 0.000) 10.810 7.798 ( -16.128 -3.229 -0.000) 16.448 8.261 ( -11.471 7.573 -0.000) 13.746 8.514 ( 13.074 -3.281 0.000) 13.479 8.840 ( -11.428 3.662 -0.000) 12.000 8.846 ( 11.616 -1.277 0.000) 11.686 9.453 ( -5.603 -0.815 -0.000) 5.662 9.562 ( 10.796 -2.790 0.000) 11.151 9.949 ( -11.065 7.758 -0.000) 13.514 10.254 ( 4.938 -5.173 0.000) 7.151 10.808 ( 5.917 9.061 0.000) 10.822 11.541 ( 0.319 -0.940 0.000) 0.993 12.158 ( 1.213 4.241 0.000) 4.411 12.181 ( -11.585 12.123 -0.000) 16.768 12.900 ( -0.721 1.154 -0.000) 1.360 13.195 ( 0.569 -0.221 0.000) 0.610 14.042 ( 7.912 3.992 0.000) 8.862 15.405 ( -2.507 -17.712 -0.000) 17.888======================= Grid point 247 (99/105) =======================q-point: (-0.67 -0.33 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.690 ( -1.538 -2.532 -0.000) 2.962 1.728 ( 9.439 -2.049 0.000) 9.659 1.978 ( 4.228 -1.496 0.000) 4.485 2.162 ( -2.360 -4.664 -0.000) 5.227 2.611 ( -6.275 4.664 -0.000) 7.818 3.153 ( 0.659 7.911 0.000) 7.938 3.293 ( -3.688 -11.416 -0.000) 11.997 4.007 ( 7.070 -2.858 0.000) 7.626 4.177 ( -2.058 -4.948 -0.000) 5.359 4.309 ( 3.922 1.728 0.000) 4.286 4.570 ( -0.168 -1.248 -0.000) 1.259 4.961 ( 4.519 -11.168 0.000) 12.048 5.137 ( -5.433 9.375 -0.000) 10.836 5.532 ( -0.908 3.782 -0.000) 3.889 6.189 ( 0.111 -3.032 0.000) 3.034 6.354 ( 4.331 -1.682 0.000) 4.646 7.141 ( -2.908 4.635 -0.000) 5.472 7.479 ( -10.415 8.170 -0.000) 13.237 7.651 ( 1.563 -10.601 0.000) 10.715 7.833 ( 2.643 4.326 0.000) 5.070 8.257 ( -8.718 9.578 -0.000) 12.951 8.608 ( -0.286 -2.602 -0.000) 2.617 8.871 ( 4.666 1.668 0.000) 4.956 9.018 ( 13.769 -6.761 0.000) 15.340 9.296 ( -2.967 -2.645 -0.000) 3.975 9.706 ( 6.038 -3.889 0.000) 7.182 9.886 ( -7.358 7.126 -0.000) 10.243 10.180 ( 0.720 -5.052 0.000) 5.103 11.230 ( 3.807 15.766 0.000) 16.219 11.500 ( -5.065 -1.889 -0.000) 5.406 12.144 ( -19.087 15.117 -0.000) 24.348 12.239 ( -5.246 11.934 -0.000) 13.036 12.992 ( 5.581 0.485 0.000) 5.602 13.192 ( -1.100 -1.593 -0.000) 1.936 14.377 ( 17.872 4.355 0.000) 18.395 14.824 ( -11.379 -21.208 -0.000) 24.068======================= Grid point 249 (100/105) =======================q-point: ( 0.33 0.67 -0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.559 ( -1.064 -3.505 -0.000) 3.662 1.813 ( -0.630 -3.742 -0.000) 3.795 1.960 ( 0.080 -4.363 0.000) 4.363 2.134 ( 5.094 3.365 0.000) 6.105 2.739 ( 0.372 11.943 -0.000) 11.948 2.869 ( -5.531 -7.572 -0.000) 9.376 3.606 ( 10.849 11.214 0.000) 15.603 3.835 ( 1.690 -13.916 0.000) 14.018 4.239 ( 2.111 1.819 0.000) 2.787 4.367 ( 3.900 -4.929 0.000) 6.286 4.719 ( 9.551 5.042 0.000) 10.801 4.806 ( 1.448 -8.876 0.000) 8.993 5.222 ( -5.084 9.978 -0.000) 11.199 5.362 ( -14.462 -2.960 -0.000) 14.762 6.161 ( 5.379 -1.608 0.000) 5.614 6.334 ( -1.807 -3.272 -0.000) 3.738 7.302 ( 5.572 10.147 0.000) 11.576 7.374 ( -8.485 -6.744 -0.000) 10.839 7.639 ( -1.578 11.307 -0.000) 11.416 7.950 ( 6.823 -5.992 0.000) 9.081 8.287 ( -6.384 10.358 -0.000) 12.167 8.532 ( -2.824 -2.377 -0.000) 3.691 8.788 ( -2.602 -5.973 -0.000) 6.515 9.080 ( 7.493 -11.396 0.000) 13.638 9.333 ( 1.065 6.433 0.000) 6.520 9.596 ( -0.664 -8.462 -0.000) 8.488 10.009 ( 1.754 9.268 0.000) 9.432 10.151 ( 2.899 -3.716 0.000) 4.713 11.138 ( -21.857 -1.976 -0.000) 21.946 11.481 ( -0.036 5.247 -0.000) 5.247 12.139 ( -10.108 13.075 -0.000) 16.527 12.450 ( -5.841 10.486 -0.000) 12.003 13.044 ( -1.991 -7.657 -0.000) 7.912 13.096 ( 2.498 2.364 0.000) 3.439 14.195 ( -8.966 -12.658 -0.000) 15.512 14.935 ( 21.492 5.864 0.000) 22.277======================= Grid point 278 (101/105) =======================q-point: (-0.37 -0.38 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.344 ( 0.000 -0.000 -13.715) 13.715 1.344 ( 0.000 -0.000 -13.715) 13.715 2.182 ( -0.000 0.000 6.891) 6.891 2.182 ( -0.000 0.000 6.891) 6.891 2.843 ( 0.000 -0.000 -30.643) 30.643 3.124 ( -0.000 0.000 4.108) 4.108 3.124 ( -0.000 0.000 4.108) 4.108 3.648 ( -0.000 0.000 5.689) 5.689 4.168 ( -0.000 0.000 0.226) 0.226 4.168 ( -0.000 0.000 0.226) 0.226 4.304 ( 0.000 -0.000 -10.344) 10.344 4.865 ( -0.000 0.000 13.594) 13.594 5.711 ( -0.000 0.000 0.515) 0.515 5.834 ( -0.000 0.000 2.192) 2.192 6.007 ( -0.000 0.000 2.960) 2.960 6.007 ( -0.000 0.000 2.960) 2.960 7.048 ( 0.000 -0.000 -11.018) 11.018 7.672 ( -0.000 0.000 12.159) 12.159 7.779 ( 0.000 -0.000 -0.906) 0.906 7.779 ( 0.000 -0.000 -0.906) 0.906 8.285 ( 0.000 -0.000 -18.077) 18.077 8.603 ( 0.000 -0.000 -0.484) 0.484 8.603 ( 0.000 -0.000 -0.484) 0.484 9.235 ( -0.000 0.000 21.404) 21.404 9.440 ( 0.000 -0.000 -1.433) 1.433 9.440 ( 0.000 -0.000 -1.433) 1.433 9.997 ( 0.000 -0.000 -1.700) 1.700 10.151 ( -0.000 0.000 4.904) 4.904 11.400 ( 0.000 -0.000 -6.236) 6.236 11.730 ( -0.000 0.000 6.047) 6.047 12.904 ( 0.000 -0.000 -1.556) 1.556 12.904 ( 0.000 -0.000 -1.556) 1.556 13.163 ( -0.000 0.000 0.619) 0.619 13.163 ( -0.000 0.000 0.619) 0.619 13.670 ( 0.000 -0.000 -16.843) 16.843 14.312 ( -0.000 0.000 11.339) 11.339======================= Grid point 291 (102/105) =======================q-point: (-0.61 -0.39 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.567 ( 4.596 -0.603 0.000) 4.636 1.738 ( -3.022 0.475 -0.000) 3.059 1.922 ( 0.658 -2.141 0.000) 2.239 2.180 ( 0.685 -4.093 0.000) 4.150 2.737 ( -5.526 4.841 -0.000) 7.347 2.990 ( 11.009 2.707 0.000) 11.337 3.531 ( -14.262 -7.069 -0.000) 15.918 3.830 ( 9.643 -8.277 0.000) 12.708 4.246 ( -4.969 -4.339 -0.000) 6.597 4.257 ( 0.953 -0.346 0.000) 1.014 4.644 ( -6.223 -2.818 -0.000) 6.831 4.844 ( 6.235 -10.805 0.000) 12.475 5.259 ( -5.993 13.064 -0.000) 14.373 5.430 ( 8.862 5.016 0.000) 10.183 6.226 ( 6.391 -3.597 0.000) 7.334 6.248 ( -4.399 0.183 -0.000) 4.402 7.242 ( -5.902 6.787 -0.000) 8.995 7.517 ( 9.339 -8.848 0.000) 12.865 7.729 ( -12.649 -1.546 -0.000) 12.743 7.783 ( 3.463 2.480 0.000) 4.260 8.444 ( -7.880 8.858 -0.000) 11.856 8.525 ( 10.134 2.766 0.000) 10.505 8.781 ( 7.122 -4.211 0.000) 8.274 8.868 ( -7.036 -1.520 -0.000) 7.198 9.418 ( -7.841 -1.136 -0.000) 7.923 9.525 ( 10.175 -1.021 0.000) 10.226 10.043 ( -6.647 1.935 -0.000) 6.923 10.144 ( 3.569 -4.929 0.000) 6.085 11.152 ( 2.867 19.665 0.000) 19.872 11.537 ( 0.536 0.538 0.000) 0.760 12.316 ( 1.636 12.407 0.000) 12.514 12.479 ( -9.188 15.302 -0.000) 17.848 12.921 ( -1.360 0.820 -0.000) 1.588 13.180 ( 3.312 -0.949 0.000) 3.446 14.093 ( 5.504 0.439 0.000) 5.522 14.973 ( -2.584 -23.379 -0.000) 23.522======================= Grid point 293 (103/105) =======================q-point: ( 0.39 0.61 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.575 ( -0.877 -5.398 -0.000) 5.469 1.668 ( 8.753 -3.274 0.000) 9.345 2.045 ( 2.910 4.935 0.000) 5.729 2.069 ( -4.989 -3.662 -0.000) 6.189 2.787 ( -4.558 11.261 -0.000) 12.149 3.052 ( -10.603 -8.609 -0.000) 13.658 3.374 ( 10.268 10.314 0.000) 14.554 3.766 ( 5.630 -16.015 0.000) 16.975 4.173 ( 2.506 1.476 0.000) 2.909 4.269 ( 4.419 -4.604 0.000) 6.381 4.574 ( 3.539 1.953 0.000) 4.042 4.741 ( 4.119 -9.315 0.000) 10.186 5.364 ( -8.340 11.416 -0.000) 14.138 5.630 ( -7.408 3.118 -0.000) 8.038 6.058 ( 2.015 -5.259 0.000) 5.632 6.284 ( 6.246 -5.080 0.000) 8.051 7.250 ( -1.216 6.246 -0.000) 6.363 7.463 ( 0.534 -7.140 0.000) 7.160 7.682 ( -2.502 8.458 -0.000) 8.820 7.848 ( 2.539 -2.895 0.000) 3.851 8.450 ( -8.279 8.759 -0.000) 12.052 8.570 ( -1.241 0.037 -0.000) 1.242 8.819 ( -0.095 -5.876 0.000) 5.876 8.873 ( 10.490 -6.416 0.000) 12.296 9.337 ( -1.786 6.280 -0.000) 6.529 9.590 ( 2.128 -7.197 0.000) 7.504 10.012 ( -1.767 4.286 -0.000) 4.636 10.102 ( 1.780 -2.398 0.000) 2.987 11.473 ( -8.977 -0.446 -0.000) 8.989 11.485 ( -0.002 7.365 -0.000) 7.365 12.471 ( -19.698 15.032 -0.000) 24.779 12.615 ( -9.422 20.458 -0.000) 22.524 13.010 ( 5.838 2.505 0.000) 6.353 13.103 ( -4.016 -6.880 -0.000) 7.967 14.349 ( -5.592 -22.377 -0.000) 23.065 14.437 ( 24.631 1.293 0.000) 24.665======================= Grid point 336 (104/105) =======================q-point: (-0.56 -0.44 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.538 ( 2.501 -1.660 0.000) 3.002 1.607 ( -2.261 -7.627 -0.000) 7.955 2.021 ( -0.663 6.149 -0.000) 6.185 2.113 ( 0.816 -2.123 0.000) 2.274 2.903 ( -6.035 10.246 -0.000) 11.892 3.045 ( 11.681 2.333 0.000) 11.911 3.423 ( -14.900 -3.132 -0.000) 15.226 3.594 ( 10.015 -13.043 0.000) 16.445 4.177 ( -2.895 -2.032 -0.000) 3.537 4.203 ( 1.844 -3.661 0.000) 4.099 4.587 ( -4.595 -2.176 -0.000) 5.084 4.647 ( 4.447 -7.332 0.000) 8.575 5.555 ( -8.699 13.708 -0.000) 16.235 5.587 ( 8.759 9.600 0.000) 12.995 6.110 ( 8.425 -7.301 0.000) 11.149 6.144 ( -7.547 -8.970 -0.000) 11.722 7.332 ( -5.564 2.371 -0.000) 6.048 7.386 ( 5.835 -3.249 0.000) 6.678 7.754 ( -4.555 2.610 -0.000) 5.250 7.800 ( 3.149 -0.615 0.000) 3.209 8.584 ( 1.967 2.260 0.000) 2.996 8.592 ( -2.187 3.669 -0.000) 4.272 8.716 ( 0.868 -0.463 0.000) 0.984 8.792 ( 0.210 -4.360 0.000) 4.365 9.431 ( -6.864 1.846 -0.000) 7.108 9.492 ( 6.888 -2.307 0.000) 7.264 10.059 ( -2.154 -0.074 -0.000) 2.155 10.070 ( 1.632 -1.825 0.000) 2.448 11.477 ( 0.564 9.507 -0.000) 9.524 11.557 ( -0.041 1.028 -0.000) 1.029 12.726 ( 5.775 24.556 0.000) 25.226 12.781 ( -6.021 12.052 -0.000) 13.473 12.939 ( -5.153 1.632 -0.000) 5.406 13.162 ( 4.092 -0.625 0.000) 4.140 14.062 ( 2.897 -2.733 0.000) 3.983 14.430 ( -2.044 -27.130 -0.000) 27.207======================= Grid point 382 (105/105) =======================q-point: ( 0.50 0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.517 ( 0.000 -0.000 -0.000) 0.000 1.517 ( 0.000 -0.000 -0.000) 0.000 2.091 ( 0.000 -0.000 -0.000) 0.000 2.091 ( 0.000 -0.000 -0.000) 0.000 3.074 ( 0.000 -0.000 -0.000) 0.000 3.074 ( 0.000 -0.000 -0.000) 0.000 3.391 ( 0.000 -0.000 -17.841) 17.841 3.391 ( -0.000 0.000 17.841) 17.841 4.156 ( 0.000 -0.000 -0.000) 0.000 4.156 ( 0.000 -0.000 -0.000) 0.000 4.563 ( 0.000 -0.000 -12.756) 12.756 4.563 ( -0.000 0.000 12.756) 12.756 5.753 ( 0.000 -0.000 -3.745) 3.745 5.753 ( -0.000 0.000 3.745) 3.745 5.981 ( 0.000 -0.000 -0.000) 0.000 5.981 ( 0.000 -0.000 -0.000) 0.000 7.359 ( 0.000 -0.000 -15.088) 15.088 7.359 ( -0.000 0.000 15.088) 15.088 7.786 ( 0.000 -0.000 -0.000) 0.000 7.786 ( 0.000 -0.000 -0.000) 0.000 8.609 ( 0.000 -0.000 -0.000) 0.000 8.609 ( 0.000 -0.000 -0.000) 0.000 8.738 ( 0.000 -0.000 -21.919) 21.919 8.738 ( -0.000 0.000 21.919) 21.919 9.458 ( 0.000 -0.000 -0.000) 0.000 9.458 ( 0.000 -0.000 -0.000) 0.000 10.055 ( 0.000 -0.000 -3.464) 3.464 10.055 ( -0.000 0.000 3.464) 3.464 11.569 ( 0.000 -0.000 -7.961) 7.961 11.569 ( -0.000 0.000 7.961) 7.961 12.921 ( 0.000 -0.000 -0.000) 0.000 12.921 ( 0.000 -0.000 -0.000) 0.000 13.156 ( 0.000 -0.000 -0.000) 0.000 13.156 ( 0.000 -0.000 -0.000) 0.000 14.022 ( 0.000 -0.000 -14.412) 14.412 14.022 ( -0.000 0.000 14.412) 14.412=================== 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 3/23328 10.0 1416.773 1416.773 1744.365 0.000 -0.000 -0.000 3/23328 20.0 181.364 181.364 243.009 0.000 -0.000 -0.000 3/23328 30.0 66.832 66.832 92.790 0.000 -0.000 -0.000 3/23328 40.0 35.882 35.882 49.970 0.000 -0.000 -0.000 3/23328 50.0 22.985 22.985 31.744 0.000 -0.000 -0.000 3/23328 60.0 16.261 16.261 22.229 0.000 -0.000 -0.000 3/23328 70.0 12.279 12.279 16.627 0.000 -0.000 -0.000 3/23328 80.0 9.718 9.718 13.052 0.000 -0.000 -0.000 3/23328 90.0 7.971 7.971 10.632 0.000 -0.000 -0.000 3/23328 100.0 6.725 6.725 8.915 0.000 -0.000 -0.000 3/23328 110.0 5.801 5.801 7.649 0.000 -0.000 -0.000 3/23328 120.0 5.096 5.096 6.685 0.000 -0.000 -0.000 3/23328 130.0 4.542 4.542 5.932 0.000 -0.000 -0.000 3/23328 140.0 4.099 4.099 5.330 0.000 -0.000 -0.000 3/23328 150.0 3.736 3.736 4.840 0.000 -0.000 -0.000 3/23328 160.0 3.434 3.434 4.432 0.000 -0.000 -0.000 3/23328 170.0 3.179 3.179 4.090 0.000 -0.000 -0.000 3/23328 180.0 2.961 2.961 3.797 0.000 -0.000 -0.000 3/23328 190.0 2.773 2.773 3.545 0.000 -0.000 -0.000 3/23328 200.0 2.608 2.608 3.326 0.000 -0.000 -0.000 3/23328 210.0 2.462 2.462 3.133 0.000 -0.000 -0.000 3/23328 220.0 2.333 2.333 2.962 0.000 -0.000 -0.000 3/23328 230.0 2.218 2.218 2.809 0.000 -0.000 -0.000 3/23328 240.0 2.114 2.114 2.672 0.000 -0.000 -0.000 3/23328 250.0 2.019 2.019 2.548 0.000 -0.000 -0.000 3/23328 260.0 1.934 1.934 2.436 0.000 -0.000 -0.000 3/23328 270.0 1.855 1.855 2.333 0.000 -0.000 -0.000 3/23328 280.0 1.783 1.783 2.239 0.000 -0.000 -0.000 3/23328 290.0 1.717 1.717 2.153 0.000 -0.000 -0.000 3/23328 300.0 1.655 1.655 2.073 0.000 -0.000 -0.000 3/23328 310.0 1.598 1.598 2.000 0.000 -0.000 -0.000 3/23328 320.0 1.545 1.545 1.931 0.000 -0.000 -0.000 3/23328 330.0 1.495 1.495 1.867 0.000 -0.000 -0.000 3/23328 340.0 1.449 1.449 1.808 0.000 -0.000 -0.000 3/23328 350.0 1.405 1.405 1.752 0.000 -0.000 -0.000 3/23328 360.0 1.364 1.364 1.699 0.000 -0.000 -0.000 3/23328 370.0 1.326 1.326 1.650 0.000 -0.000 -0.000 3/23328 380.0 1.289 1.289 1.604 0.000 -0.000 -0.000 3/23328 390.0 1.255 1.255 1.560 0.000 -0.000 -0.000 3/23328 400.0 1.222 1.222 1.518 0.000 -0.000 -0.000 3/23328 410.0 1.192 1.192 1.479 0.000 -0.000 -0.000 3/23328 420.0 1.162 1.162 1.442 0.000 -0.000 -0.000 3/23328 430.0 1.134 1.134 1.407 0.000 -0.000 -0.000 3/23328 440.0 1.108 1.108 1.373 0.000 -0.000 -0.000 3/23328 450.0 1.082 1.082 1.341 0.000 -0.000 -0.000 3/23328 460.0 1.058 1.058 1.311 0.000 -0.000 -0.000 3/23328 470.0 1.035 1.035 1.282 0.000 -0.000 -0.000 3/23328 480.0 1.013 1.013 1.254 0.000 -0.000 -0.000 3/23328 490.0 0.992 0.992 1.227 0.000 -0.000 -0.000 3/23328 500.0 0.972 0.972 1.202 0.000 -0.000 -0.000 3/23328 510.0 0.952 0.952 1.177 0.000 -0.000 -0.000 3/23328 520.0 0.934 0.934 1.154 0.000 -0.000 -0.000 3/23328 530.0 0.916 0.916 1.131 0.000 -0.000 -0.000 3/23328 540.0 0.898 0.898 1.110 0.000 -0.000 -0.000 3/23328 550.0 0.882 0.882 1.089 0.000 -0.000 -0.000 3/23328 560.0 0.866 0.866 1.069 0.000 -0.000 -0.000 3/23328 570.0 0.850 0.850 1.049 0.000 -0.000 -0.000 3/23328 580.0 0.835 0.835 1.031 0.000 -0.000 -0.000 3/23328 590.0 0.821 0.821 1.013 0.000 -0.000 -0.000 3/23328 600.0 0.807 0.807 0.995 0.000 -0.000 -0.000 3/23328 610.0 0.794 0.794 0.979 0.000 -0.000 -0.000 3/23328 620.0 0.781 0.781 0.963 0.000 -0.000 -0.000 3/23328 630.0 0.768 0.768 0.947 0.000 -0.000 -0.000 3/23328 640.0 0.756 0.756 0.932 0.000 -0.000 -0.000 3/23328 650.0 0.744 0.744 0.917 0.000 -0.000 -0.000 3/23328 660.0 0.733 0.733 0.903 0.000 -0.000 -0.000 3/23328 670.0 0.722 0.722 0.889 0.000 -0.000 -0.000 3/23328 680.0 0.711 0.711 0.876 0.000 -0.000 -0.000 3/23328 690.0 0.701 0.701 0.863 0.000 -0.000 -0.000 3/23328 700.0 0.691 0.691 0.850 0.000 -0.000 -0.000 3/23328 710.0 0.681 0.681 0.838 0.000 -0.000 -0.000 3/23328 720.0 0.671 0.671 0.826 0.000 -0.000 -0.000 3/23328 730.0 0.662 0.662 0.815 0.000 -0.000 -0.000 3/23328 740.0 0.653 0.653 0.804 0.000 -0.000 -0.000 3/23328 750.0 0.644 0.644 0.793 0.000 -0.000 -0.000 3/23328 760.0 0.636 0.636 0.782 0.000 -0.000 -0.000 3/23328 770.0 0.627 0.627 0.772 0.000 -0.000 -0.000 3/23328 780.0 0.619 0.619 0.762 0.000 -0.000 -0.000 3/23328 790.0 0.611 0.611 0.752 0.000 -0.000 -0.000 3/23328 800.0 0.604 0.604 0.742 0.000 -0.000 -0.000 3/23328 810.0 0.596 0.596 0.733 0.000 -0.000 -0.000 3/23328 820.0 0.589 0.589 0.724 0.000 -0.000 -0.000 3/23328 830.0 0.582 0.582 0.715 0.000 -0.000 -0.000 3/23328 840.0 0.575 0.575 0.707 0.000 -0.000 -0.000 3/23328 850.0 0.568 0.568 0.698 0.000 -0.000 -0.000 3/23328 860.0 0.561 0.561 0.690 0.000 -0.000 -0.000 3/23328 870.0 0.555 0.555 0.682 0.000 -0.000 -0.000 3/23328 880.0 0.548 0.548 0.674 0.000 -0.000 -0.000 3/23328 890.0 0.542 0.542 0.666 0.000 -0.000 -0.000 3/23328 900.0 0.536 0.536 0.659 0.000 -0.000 -0.000 3/23328 910.0 0.530 0.530 0.652 0.000 -0.000 -0.000 3/23328 920.0 0.524 0.524 0.644 0.000 -0.000 -0.000 3/23328 930.0 0.519 0.519 0.637 0.000 -0.000 -0.000 3/23328 940.0 0.513 0.513 0.631 0.000 -0.000 -0.000 3/23328 950.0 0.508 0.508 0.624 0.000 -0.000 -0.000 3/23328 960.0 0.503 0.503 0.617 0.000 -0.000 -0.000 3/23328 970.0 0.497 0.497 0.611 0.000 -0.000 -0.000 3/23328 980.0 0.492 0.492 0.605 0.000 -0.000 -0.000 3/23328 990.0 0.487 0.487 0.598 0.000 -0.000 -0.000 3/23328 1000.0 0.482 0.482 0.592 0.000 -0.000 -0.000 3/23328Thermal conductivity related properties were written into "kappa-m1972.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 07:22:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|