# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/a5953798-f06d-4b64-9bb9-67ab83483ded/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 Mg(AlC)2 / P-3m1 (164) / materials id 9514](https://mdr.nims.go.jp/datasets/b2531b93-c0d1-460c-8544-b1ddfe75019d) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 23:22:18]-------------------------Compiled with OpenMP support (max 48 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-3m1 (164)Number of symmetry operations in supercell: 216------------------------------ primitive cell ------------------------------Lattice vectors: a 3.376337929121973 0.000000000000000 0.000000000000000 b -1.688168964560986 2.923994418380572 0.000000000000000 c 0.000000000000000 0.000000000000000 5.774113370000000Atomic positions (fractional): *1 C 0.66666666666667 0.33333333333333 0.26955203900595 12.011 2 C 0.33333333333333 0.66666666666667 0.73044796099405 12.011 *3 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 *4 Al 0.33333333333333 0.66666666666667 0.35013387901714 26.982 5 Al 0.66666666666667 0.33333333333333 0.64986612098286 26.982-------------------------------- unit cell ---------------------------------Lattice vectors: a 3.376337929121973 0.000000000000000 0.000000000000000 b -1.688168964560986 2.923994418380572 0.000000000000000 c 0.000000000000000 0.000000000000000 5.774113370000000Atomic positions (fractional): *1 C 0.66666666666667 0.33333333333333 0.26955203900595 12.011 > 1 2 C 0.33333333333333 0.66666666666667 0.73044796099405 12.011 > 2 *3 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 3 *4 Al 0.33333333333333 0.66666666666667 0.35013387901714 26.982 > 4 5 Al 0.66666666666667 0.33333333333333 0.64986612098286 26.982 > 5-------------------------------- super cell --------------------------------Lattice vectors: a 10.129013787365919 0.000000000000000 0.000000000000000 b -5.064506893682958 8.771983255141716 0.000000000000000 c 0.000000000000000 0.000000000000000 11.548226740000000Atomic positions (fractional): *1 C 0.22222222222222 0.11111111111111 0.13477601950298 12.011 > 1 2 C 0.55555555555556 0.11111111111111 0.13477601950298 12.011 > 1 3 C 0.88888888888889 0.11111111111111 0.13477601950298 12.011 > 1 4 C 0.22222222222222 0.44444444444444 0.13477601950298 12.011 > 1 5 C 0.55555555555556 0.44444444444444 0.13477601950298 12.011 > 1 6 C 0.88888888888889 0.44444444444444 0.13477601950298 12.011 > 1 7 C 0.22222222222222 0.77777777777778 0.13477601950298 12.011 > 1 8 C 0.55555555555556 0.77777777777778 0.13477601950298 12.011 > 1 9 C 0.88888888888889 0.77777777777778 0.13477601950298 12.011 > 1 10 C 0.22222222222222 0.11111111111111 0.63477601950298 12.011 > 1 11 C 0.55555555555556 0.11111111111111 0.63477601950298 12.011 > 1 12 C 0.88888888888889 0.11111111111111 0.63477601950298 12.011 > 1 13 C 0.22222222222222 0.44444444444444 0.63477601950298 12.011 > 1 14 C 0.55555555555556 0.44444444444444 0.63477601950298 12.011 > 1 15 C 0.88888888888889 0.44444444444444 0.63477601950298 12.011 > 1 16 C 0.22222222222222 0.77777777777778 0.63477601950298 12.011 > 1 17 C 0.55555555555556 0.77777777777778 0.63477601950298 12.011 > 1 18 C 0.88888888888889 0.77777777777778 0.63477601950298 12.011 > 1 19 C 0.11111111111111 0.22222222222222 0.36522398049702 12.011 > 2 20 C 0.44444444444444 0.22222222222222 0.36522398049702 12.011 > 2 21 C 0.77777777777778 0.22222222222222 0.36522398049702 12.011 > 2 22 C 0.11111111111111 0.55555555555556 0.36522398049702 12.011 > 2 23 C 0.44444444444444 0.55555555555556 0.36522398049702 12.011 > 2 24 C 0.77777777777778 0.55555555555556 0.36522398049702 12.011 > 2 25 C 0.11111111111111 0.88888888888889 0.36522398049702 12.011 > 2 26 C 0.44444444444444 0.88888888888889 0.36522398049702 12.011 > 2 27 C 0.77777777777778 0.88888888888889 0.36522398049702 12.011 > 2 28 C 0.11111111111111 0.22222222222222 0.86522398049702 12.011 > 2 29 C 0.44444444444444 0.22222222222222 0.86522398049702 12.011 > 2 30 C 0.77777777777778 0.22222222222222 0.86522398049702 12.011 > 2 31 C 0.11111111111111 0.55555555555556 0.86522398049702 12.011 > 2 32 C 0.44444444444444 0.55555555555556 0.86522398049702 12.011 > 2 33 C 0.77777777777778 0.55555555555556 0.86522398049702 12.011 > 2 34 C 0.11111111111111 0.88888888888889 0.86522398049702 12.011 > 2 35 C 0.44444444444444 0.88888888888889 0.86522398049702 12.011 > 2 36 C 0.77777777777778 0.88888888888889 0.86522398049702 12.011 > 2 *37 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 3 38 Mg 0.33333333333333 0.00000000000000 0.00000000000000 24.305 > 3 39 Mg 0.66666666666667 0.00000000000000 0.00000000000000 24.305 > 3 40 Mg 0.00000000000000 0.33333333333333 0.00000000000000 24.305 > 3 41 Mg 0.33333333333333 0.33333333333333 0.00000000000000 24.305 > 3 42 Mg 0.66666666666667 0.33333333333333 0.00000000000000 24.305 > 3 43 Mg 0.00000000000000 0.66666666666667 0.00000000000000 24.305 > 3 44 Mg 0.33333333333333 0.66666666666667 0.00000000000000 24.305 > 3 45 Mg 0.66666666666667 0.66666666666667 0.00000000000000 24.305 > 3 46 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 3 47 Mg 0.33333333333333 0.00000000000000 0.50000000000000 24.305 > 3 48 Mg 0.66666666666667 0.00000000000000 0.50000000000000 24.305 > 3 49 Mg 0.00000000000000 0.33333333333333 0.50000000000000 24.305 > 3 50 Mg 0.33333333333333 0.33333333333333 0.50000000000000 24.305 > 3 51 Mg 0.66666666666667 0.33333333333333 0.50000000000000 24.305 > 3 52 Mg 0.00000000000000 0.66666666666667 0.50000000000000 24.305 > 3 53 Mg 0.33333333333333 0.66666666666667 0.50000000000000 24.305 > 3 54 Mg 0.66666666666667 0.66666666666667 0.50000000000000 24.305 > 3 *55 Al 0.11111111111111 0.22222222222222 0.17506693950857 26.982 > 4 56 Al 0.44444444444444 0.22222222222222 0.17506693950857 26.982 > 4 57 Al 0.77777777777778 0.22222222222222 0.17506693950857 26.982 > 4 58 Al 0.11111111111111 0.55555555555556 0.17506693950857 26.982 > 4 59 Al 0.44444444444444 0.55555555555556 0.17506693950857 26.982 > 4 60 Al 0.77777777777778 0.55555555555556 0.17506693950857 26.982 > 4 61 Al 0.11111111111111 0.88888888888889 0.17506693950857 26.982 > 4 62 Al 0.44444444444444 0.88888888888889 0.17506693950857 26.982 > 4 63 Al 0.77777777777778 0.88888888888889 0.17506693950857 26.982 > 4 64 Al 0.11111111111111 0.22222222222222 0.67506693950857 26.982 > 4 65 Al 0.44444444444444 0.22222222222222 0.67506693950857 26.982 > 4 66 Al 0.77777777777778 0.22222222222222 0.67506693950857 26.982 > 4 67 Al 0.11111111111111 0.55555555555556 0.67506693950857 26.982 > 4 68 Al 0.44444444444444 0.55555555555556 0.67506693950857 26.982 > 4 69 Al 0.77777777777778 0.55555555555556 0.67506693950857 26.982 > 4 70 Al 0.11111111111111 0.88888888888889 0.67506693950857 26.982 > 4 71 Al 0.44444444444444 0.88888888888889 0.67506693950857 26.982 > 4 72 Al 0.77777777777778 0.88888888888889 0.67506693950857 26.982 > 4 73 Al 0.22222222222222 0.11111111111111 0.32493306049143 26.982 > 5 74 Al 0.55555555555556 0.11111111111111 0.32493306049143 26.982 > 5 75 Al 0.88888888888889 0.11111111111111 0.32493306049143 26.982 > 5 76 Al 0.22222222222222 0.44444444444444 0.32493306049143 26.982 > 5 77 Al 0.55555555555556 0.44444444444444 0.32493306049143 26.982 > 5 78 Al 0.88888888888889 0.44444444444444 0.32493306049143 26.982 > 5 79 Al 0.22222222222222 0.77777777777778 0.32493306049143 26.982 > 5 80 Al 0.55555555555556 0.77777777777778 0.32493306049143 26.982 > 5 81 Al 0.88888888888889 0.77777777777778 0.32493306049143 26.982 > 5 82 Al 0.22222222222222 0.11111111111111 0.82493306049143 26.982 > 5 83 Al 0.55555555555556 0.11111111111111 0.82493306049143 26.982 > 5 84 Al 0.88888888888889 0.11111111111111 0.82493306049143 26.982 > 5 85 Al 0.22222222222222 0.44444444444444 0.82493306049143 26.982 > 5 86 Al 0.55555555555556 0.44444444444444 0.82493306049143 26.982 > 5 87 Al 0.88888888888889 0.44444444444444 0.82493306049143 26.982 > 5 88 Al 0.22222222222222 0.77777777777778 0.82493306049143 26.982 > 5 89 Al 0.55555555555556 0.77777777777778 0.82493306049143 26.982 > 5 90 Al 0.88888888888889 0.77777777777778 0.82493306049143 26.982 > 5----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 7.8538325 0.0000000 0.0000000 0.0000000 7.8538325 0.0000000 0.0000000 0.0000000 9.6582905-------------------------- Born effective charges -------------------------- 1 C -3.2811468 -0.0000000 0.0000000 0.0000000 -3.2811468 0.0000000 0.0000000 0.0000000 -3.4626450 2 C -3.2811468 -0.0000000 0.0000000 0.0000000 -3.2811468 0.0000000 0.0000000 0.0000000 -3.4626450 3 Mg 2.0364971 0.0000000 0.0000000 0.0000000 2.0364971 0.0000000 0.0000000 0.0000000 2.8286310 4 Al 2.2628983 0.0000000 0.0000000 0.0000000 2.2628983 0.0000000 0.0000000 0.0000000 2.0483295 5 Al 2.2628983 0.0000000 0.0000000 0.0000000 2.2628983 0.0000000 0.0000000 0.0000000 2.0483295----------------------------------------------------------------------------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: 270/270Permutation basis: 2400/2400Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 224Number of blocks in projector: 224Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 102Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 66Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 56Use standard eigh solver.Tree of FC basis block matrices:- (224, 218), data: False|-- (56, 53), data: True|-- (66, 66), data: True|-- (102, 99), data: True-----Solver_atoms: 1 -- 90 / 90Time (Solver_compr_matrix_reshape): 0.004Solver_block: 80 / 80 - Time: 0.065Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.070--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 270/270Permutation basis: 2400/2400Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 224Number of blocks in projector: 224Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 102Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 66Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 56Use standard eigh solver.Tree of FC basis block matrices:- (224, 218), data: False|-- (56, 53), data: True|-- (66, 66), data: True|-- (102, 99), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 23:22:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:22:21]-------------------------Compiled with OpenMP support (max 48 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [3 3 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-3m1 (164)------------------------------ primitive cell ------------------------------Lattice vectors: a 3.376337929121973 0.000000000000000 0.000000000000000 b -1.688168964560986 2.923994418380572 0.000000000000000 c 0.000000000000000 0.000000000000000 5.774113370000000Atomic positions (fractional): 1 C 0.66666666666667 0.33333333333333 0.26955203900595 12.011 2 C 0.33333333333333 0.66666666666667 0.73044796099405 12.011 3 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 4 Al 0.33333333333333 0.66666666666667 0.35013387901714 26.982 5 Al 0.66666666666667 0.33333333333333 0.64986612098286 26.982-------------------------------- supercell ---------------------------------Lattice vectors: a 10.129013787365919 0.000000000000000 0.000000000000000 b -5.064506893682958 8.771983255141716 0.000000000000000 c 0.000000000000000 0.000000000000000 11.548226740000000Atomic positions (fractional): 1 C 0.22222222222222 0.11111111111111 0.13477601950298 12.011 > 1 2 C 0.55555555555556 0.11111111111111 0.13477601950298 12.011 > 1 3 C 0.88888888888889 0.11111111111111 0.13477601950298 12.011 > 1 4 C 0.22222222222222 0.44444444444444 0.13477601950298 12.011 > 1 5 C 0.55555555555556 0.44444444444444 0.13477601950298 12.011 > 1 6 C 0.88888888888889 0.44444444444444 0.13477601950298 12.011 > 1 7 C 0.22222222222222 0.77777777777778 0.13477601950298 12.011 > 1 8 C 0.55555555555556 0.77777777777778 0.13477601950298 12.011 > 1 9 C 0.88888888888889 0.77777777777778 0.13477601950298 12.011 > 1 10 C 0.22222222222222 0.11111111111111 0.63477601950298 12.011 > 1 11 C 0.55555555555556 0.11111111111111 0.63477601950298 12.011 > 1 12 C 0.88888888888889 0.11111111111111 0.63477601950298 12.011 > 1 13 C 0.22222222222222 0.44444444444444 0.63477601950298 12.011 > 1 14 C 0.55555555555556 0.44444444444444 0.63477601950298 12.011 > 1 15 C 0.88888888888889 0.44444444444444 0.63477601950298 12.011 > 1 16 C 0.22222222222222 0.77777777777778 0.63477601950298 12.011 > 1 17 C 0.55555555555556 0.77777777777778 0.63477601950298 12.011 > 1 18 C 0.88888888888889 0.77777777777778 0.63477601950298 12.011 > 1 19 C 0.11111111111111 0.22222222222222 0.36522398049702 12.011 > 19 20 C 0.44444444444444 0.22222222222222 0.36522398049702 12.011 > 19 21 C 0.77777777777778 0.22222222222222 0.36522398049702 12.011 > 19 22 C 0.11111111111111 0.55555555555556 0.36522398049702 12.011 > 19 23 C 0.44444444444444 0.55555555555556 0.36522398049702 12.011 > 19 24 C 0.77777777777778 0.55555555555556 0.36522398049702 12.011 > 19 25 C 0.11111111111111 0.88888888888889 0.36522398049702 12.011 > 19 26 C 0.44444444444444 0.88888888888889 0.36522398049702 12.011 > 19 27 C 0.77777777777778 0.88888888888889 0.36522398049702 12.011 > 19 28 C 0.11111111111111 0.22222222222222 0.86522398049702 12.011 > 19 29 C 0.44444444444444 0.22222222222222 0.86522398049702 12.011 > 19 30 C 0.77777777777778 0.22222222222222 0.86522398049702 12.011 > 19 31 C 0.11111111111111 0.55555555555556 0.86522398049702 12.011 > 19 32 C 0.44444444444444 0.55555555555556 0.86522398049702 12.011 > 19 33 C 0.77777777777778 0.55555555555556 0.86522398049702 12.011 > 19 34 C 0.11111111111111 0.88888888888889 0.86522398049702 12.011 > 19 35 C 0.44444444444444 0.88888888888889 0.86522398049702 12.011 > 19 36 C 0.77777777777778 0.88888888888889 0.86522398049702 12.011 > 19 37 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 37 38 Mg 0.33333333333333 0.00000000000000 0.00000000000000 24.305 > 37 39 Mg 0.66666666666667 0.00000000000000 0.00000000000000 24.305 > 37 40 Mg 0.00000000000000 0.33333333333333 0.00000000000000 24.305 > 37 41 Mg 0.33333333333333 0.33333333333333 0.00000000000000 24.305 > 37 42 Mg 0.66666666666667 0.33333333333333 0.00000000000000 24.305 > 37 43 Mg 0.00000000000000 0.66666666666667 0.00000000000000 24.305 > 37 44 Mg 0.33333333333333 0.66666666666667 0.00000000000000 24.305 > 37 45 Mg 0.66666666666667 0.66666666666667 0.00000000000000 24.305 > 37 46 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 37 47 Mg 0.33333333333333 0.00000000000000 0.50000000000000 24.305 > 37 48 Mg 0.66666666666667 0.00000000000000 0.50000000000000 24.305 > 37 49 Mg 0.00000000000000 0.33333333333333 0.50000000000000 24.305 > 37 50 Mg 0.33333333333333 0.33333333333333 0.50000000000000 24.305 > 37 51 Mg 0.66666666666667 0.33333333333333 0.50000000000000 24.305 > 37 52 Mg 0.00000000000000 0.66666666666667 0.50000000000000 24.305 > 37 53 Mg 0.33333333333333 0.66666666666667 0.50000000000000 24.305 > 37 54 Mg 0.66666666666667 0.66666666666667 0.50000000000000 24.305 > 37 55 Al 0.11111111111111 0.22222222222222 0.17506693950857 26.982 > 55 56 Al 0.44444444444444 0.22222222222222 0.17506693950857 26.982 > 55 57 Al 0.77777777777778 0.22222222222222 0.17506693950857 26.982 > 55 58 Al 0.11111111111111 0.55555555555556 0.17506693950857 26.982 > 55 59 Al 0.44444444444444 0.55555555555556 0.17506693950857 26.982 > 55 60 Al 0.77777777777778 0.55555555555556 0.17506693950857 26.982 > 55 61 Al 0.11111111111111 0.88888888888889 0.17506693950857 26.982 > 55 62 Al 0.44444444444444 0.88888888888889 0.17506693950857 26.982 > 55 63 Al 0.77777777777778 0.88888888888889 0.17506693950857 26.982 > 55 64 Al 0.11111111111111 0.22222222222222 0.67506693950857 26.982 > 55 65 Al 0.44444444444444 0.22222222222222 0.67506693950857 26.982 > 55 66 Al 0.77777777777778 0.22222222222222 0.67506693950857 26.982 > 55 67 Al 0.11111111111111 0.55555555555556 0.67506693950857 26.982 > 55 68 Al 0.44444444444444 0.55555555555556 0.67506693950857 26.982 > 55 69 Al 0.77777777777778 0.55555555555556 0.67506693950857 26.982 > 55 70 Al 0.11111111111111 0.88888888888889 0.67506693950857 26.982 > 55 71 Al 0.44444444444444 0.88888888888889 0.67506693950857 26.982 > 55 72 Al 0.77777777777778 0.88888888888889 0.67506693950857 26.982 > 55 73 Al 0.22222222222222 0.11111111111111 0.32493306049143 26.982 > 73 74 Al 0.55555555555556 0.11111111111111 0.32493306049143 26.982 > 73 75 Al 0.88888888888889 0.11111111111111 0.32493306049143 26.982 > 73 76 Al 0.22222222222222 0.44444444444444 0.32493306049143 26.982 > 73 77 Al 0.55555555555556 0.44444444444444 0.32493306049143 26.982 > 73 78 Al 0.88888888888889 0.44444444444444 0.32493306049143 26.982 > 73 79 Al 0.22222222222222 0.77777777777778 0.32493306049143 26.982 > 73 80 Al 0.55555555555556 0.77777777777778 0.32493306049143 26.982 > 73 81 Al 0.88888888888889 0.77777777777778 0.32493306049143 26.982 > 73 82 Al 0.22222222222222 0.11111111111111 0.82493306049143 26.982 > 73 83 Al 0.55555555555556 0.11111111111111 0.82493306049143 26.982 > 73 84 Al 0.88888888888889 0.11111111111111 0.82493306049143 26.982 > 73 85 Al 0.22222222222222 0.44444444444444 0.82493306049143 26.982 > 73 86 Al 0.55555555555556 0.44444444444444 0.82493306049143 26.982 > 73 87 Al 0.88888888888889 0.44444444444444 0.82493306049143 26.982 > 73 88 Al 0.22222222222222 0.77777777777778 0.82493306049143 26.982 > 73 89 Al 0.55555555555556 0.77777777777778 0.82493306049143 26.982 > 73 90 Al 0.88888888888889 0.77777777777778 0.82493306049143 26.982 > 73----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 7.8538325 0.0000000 0.0000000 0.0000000 7.8538325 0.0000000 0.0000000 0.0000000 9.6582905-------------------------- Born effective charges -------------------------- 1 C -3.2811468 -0.0000000 0.0000000 0.0000000 -3.2811468 0.0000000 0.0000000 0.0000000 -3.4626450 2 C -3.2811468 -0.0000000 0.0000000 0.0000000 -3.2811468 0.0000000 0.0000000 0.0000000 -3.4626450 3 Mg 2.0364971 0.0000000 0.0000000 0.0000000 2.0364971 0.0000000 0.0000000 0.0000000 2.8286310 4 Al 2.2628983 0.0000000 0.0000000 0.0000000 2.2628983 0.0000000 0.0000000 0.0000000 2.0483295 5 Al 2.2628983 0.0000000 0.0000000 0.0000000 2.2628983 0.0000000 0.0000000 0.0000000 2.0483295----------------------------------------------------------------------------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[ 37, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 55, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:22:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:22:25]-------------------------Compiled with OpenMP support (max 48 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [3 3 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-3m1 (164)------------------------------ primitive cell ------------------------------Lattice vectors: a 3.376337929121973 0.000000000000000 0.000000000000000 b -1.688168964560986 2.923994418380572 0.000000000000000 c 0.000000000000000 0.000000000000000 5.774113370000000Atomic positions (fractional): 1 C 0.66666666666667 0.33333333333333 0.26955203900595 12.011 2 C 0.33333333333333 0.66666666666667 0.73044796099405 12.011 3 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 4 Al 0.33333333333333 0.66666666666667 0.35013387901714 26.982 5 Al 0.66666666666667 0.33333333333333 0.64986612098286 26.982-------------------------------- supercell ---------------------------------Lattice vectors: a 10.129013787365919 0.000000000000000 0.000000000000000 b -5.064506893682958 8.771983255141716 0.000000000000000 c 0.000000000000000 0.000000000000000 11.548226740000000Atomic positions (fractional): 1 C 0.22222222222222 0.11111111111111 0.13477601950298 12.011 > 1 2 C 0.55555555555556 0.11111111111111 0.13477601950298 12.011 > 1 3 C 0.88888888888889 0.11111111111111 0.13477601950298 12.011 > 1 4 C 0.22222222222222 0.44444444444444 0.13477601950298 12.011 > 1 5 C 0.55555555555556 0.44444444444444 0.13477601950298 12.011 > 1 6 C 0.88888888888889 0.44444444444444 0.13477601950298 12.011 > 1 7 C 0.22222222222222 0.77777777777778 0.13477601950298 12.011 > 1 8 C 0.55555555555556 0.77777777777778 0.13477601950298 12.011 > 1 9 C 0.88888888888889 0.77777777777778 0.13477601950298 12.011 > 1 10 C 0.22222222222222 0.11111111111111 0.63477601950298 12.011 > 1 11 C 0.55555555555556 0.11111111111111 0.63477601950298 12.011 > 1 12 C 0.88888888888889 0.11111111111111 0.63477601950298 12.011 > 1 13 C 0.22222222222222 0.44444444444444 0.63477601950298 12.011 > 1 14 C 0.55555555555556 0.44444444444444 0.63477601950298 12.011 > 1 15 C 0.88888888888889 0.44444444444444 0.63477601950298 12.011 > 1 16 C 0.22222222222222 0.77777777777778 0.63477601950298 12.011 > 1 17 C 0.55555555555556 0.77777777777778 0.63477601950298 12.011 > 1 18 C 0.88888888888889 0.77777777777778 0.63477601950298 12.011 > 1 19 C 0.11111111111111 0.22222222222222 0.36522398049702 12.011 > 19 20 C 0.44444444444444 0.22222222222222 0.36522398049702 12.011 > 19 21 C 0.77777777777778 0.22222222222222 0.36522398049702 12.011 > 19 22 C 0.11111111111111 0.55555555555556 0.36522398049702 12.011 > 19 23 C 0.44444444444444 0.55555555555556 0.36522398049702 12.011 > 19 24 C 0.77777777777778 0.55555555555556 0.36522398049702 12.011 > 19 25 C 0.11111111111111 0.88888888888889 0.36522398049702 12.011 > 19 26 C 0.44444444444444 0.88888888888889 0.36522398049702 12.011 > 19 27 C 0.77777777777778 0.88888888888889 0.36522398049702 12.011 > 19 28 C 0.11111111111111 0.22222222222222 0.86522398049702 12.011 > 19 29 C 0.44444444444444 0.22222222222222 0.86522398049702 12.011 > 19 30 C 0.77777777777778 0.22222222222222 0.86522398049702 12.011 > 19 31 C 0.11111111111111 0.55555555555556 0.86522398049702 12.011 > 19 32 C 0.44444444444444 0.55555555555556 0.86522398049702 12.011 > 19 33 C 0.77777777777778 0.55555555555556 0.86522398049702 12.011 > 19 34 C 0.11111111111111 0.88888888888889 0.86522398049702 12.011 > 19 35 C 0.44444444444444 0.88888888888889 0.86522398049702 12.011 > 19 36 C 0.77777777777778 0.88888888888889 0.86522398049702 12.011 > 19 37 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 37 38 Mg 0.33333333333333 0.00000000000000 0.00000000000000 24.305 > 37 39 Mg 0.66666666666667 0.00000000000000 0.00000000000000 24.305 > 37 40 Mg 0.00000000000000 0.33333333333333 0.00000000000000 24.305 > 37 41 Mg 0.33333333333333 0.33333333333333 0.00000000000000 24.305 > 37 42 Mg 0.66666666666667 0.33333333333333 0.00000000000000 24.305 > 37 43 Mg 0.00000000000000 0.66666666666667 0.00000000000000 24.305 > 37 44 Mg 0.33333333333333 0.66666666666667 0.00000000000000 24.305 > 37 45 Mg 0.66666666666667 0.66666666666667 0.00000000000000 24.305 > 37 46 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 37 47 Mg 0.33333333333333 0.00000000000000 0.50000000000000 24.305 > 37 48 Mg 0.66666666666667 0.00000000000000 0.50000000000000 24.305 > 37 49 Mg 0.00000000000000 0.33333333333333 0.50000000000000 24.305 > 37 50 Mg 0.33333333333333 0.33333333333333 0.50000000000000 24.305 > 37 51 Mg 0.66666666666667 0.33333333333333 0.50000000000000 24.305 > 37 52 Mg 0.00000000000000 0.66666666666667 0.50000000000000 24.305 > 37 53 Mg 0.33333333333333 0.66666666666667 0.50000000000000 24.305 > 37 54 Mg 0.66666666666667 0.66666666666667 0.50000000000000 24.305 > 37 55 Al 0.11111111111111 0.22222222222222 0.17506693950857 26.982 > 55 56 Al 0.44444444444444 0.22222222222222 0.17506693950857 26.982 > 55 57 Al 0.77777777777778 0.22222222222222 0.17506693950857 26.982 > 55 58 Al 0.11111111111111 0.55555555555556 0.17506693950857 26.982 > 55 59 Al 0.44444444444444 0.55555555555556 0.17506693950857 26.982 > 55 60 Al 0.77777777777778 0.55555555555556 0.17506693950857 26.982 > 55 61 Al 0.11111111111111 0.88888888888889 0.17506693950857 26.982 > 55 62 Al 0.44444444444444 0.88888888888889 0.17506693950857 26.982 > 55 63 Al 0.77777777777778 0.88888888888889 0.17506693950857 26.982 > 55 64 Al 0.11111111111111 0.22222222222222 0.67506693950857 26.982 > 55 65 Al 0.44444444444444 0.22222222222222 0.67506693950857 26.982 > 55 66 Al 0.77777777777778 0.22222222222222 0.67506693950857 26.982 > 55 67 Al 0.11111111111111 0.55555555555556 0.67506693950857 26.982 > 55 68 Al 0.44444444444444 0.55555555555556 0.67506693950857 26.982 > 55 69 Al 0.77777777777778 0.55555555555556 0.67506693950857 26.982 > 55 70 Al 0.11111111111111 0.88888888888889 0.67506693950857 26.982 > 55 71 Al 0.44444444444444 0.88888888888889 0.67506693950857 26.982 > 55 72 Al 0.77777777777778 0.88888888888889 0.67506693950857 26.982 > 55 73 Al 0.22222222222222 0.11111111111111 0.32493306049143 26.982 > 73 74 Al 0.55555555555556 0.11111111111111 0.32493306049143 26.982 > 73 75 Al 0.88888888888889 0.11111111111111 0.32493306049143 26.982 > 73 76 Al 0.22222222222222 0.44444444444444 0.32493306049143 26.982 > 73 77 Al 0.55555555555556 0.44444444444444 0.32493306049143 26.982 > 73 78 Al 0.88888888888889 0.44444444444444 0.32493306049143 26.982 > 73 79 Al 0.22222222222222 0.77777777777778 0.32493306049143 26.982 > 73 80 Al 0.55555555555556 0.77777777777778 0.32493306049143 26.982 > 73 81 Al 0.88888888888889 0.77777777777778 0.32493306049143 26.982 > 73 82 Al 0.22222222222222 0.11111111111111 0.82493306049143 26.982 > 73 83 Al 0.55555555555556 0.11111111111111 0.82493306049143 26.982 > 73 84 Al 0.88888888888889 0.11111111111111 0.82493306049143 26.982 > 73 85 Al 0.22222222222222 0.44444444444444 0.82493306049143 26.982 > 73 86 Al 0.55555555555556 0.44444444444444 0.82493306049143 26.982 > 73 87 Al 0.88888888888889 0.44444444444444 0.82493306049143 26.982 > 73 88 Al 0.22222222222222 0.77777777777778 0.82493306049143 26.982 > 73 89 Al 0.55555555555556 0.77777777777778 0.82493306049143 26.982 > 73 90 Al 0.88888888888889 0.77777777777778 0.82493306049143 26.982 > 73----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 7.8538325 0.0000000 0.0000000 0.0000000 7.8538325 0.0000000 0.0000000 0.0000000 9.6582905-------------------------- Born effective charges -------------------------- 1 C -3.2811468 -0.0000000 0.0000000 0.0000000 -3.2811468 0.0000000 0.0000000 0.0000000 -3.4626450 2 C -3.2811468 -0.0000000 0.0000000 0.0000000 -3.2811468 0.0000000 0.0000000 0.0000000 -3.4626450 3 Mg 2.0364971 0.0000000 0.0000000 0.0000000 2.0364971 0.0000000 0.0000000 0.0000000 2.8286310 4 Al 2.2628983 0.0000000 0.0000000 0.0000000 2.2628983 0.0000000 0.0000000 0.0000000 2.0483295 5 Al 2.2628983 0.0000000 0.0000000 0.0000000 2.2628983 0.0000000 0.0000000 0.0000000 2.0483295----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz)Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 ... [ 17 17 9 ]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: 1.08, Number of G-points: 301, Lambda: 0.33Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/261) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 261Calculating 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 6.609 ( 0.000 0.000 0.000) 0.000 6.609 ( 0.000 0.000 0.000) 0.000 8.664 ( 0.000 0.000 0.000) 0.000 9.100 ( 0.000 0.000 0.000) 0.000 9.100 ( 0.000 0.000 0.000) 0.000 11.491 ( 0.000 0.000 0.000) 0.000 14.494 ( 0.000 0.000 0.000) 0.000 16.955 ( 0.000 0.000 0.000) 0.000 19.378 ( 0.000 0.000 0.000) 0.000 19.378 ( 0.000 0.000 0.000) 0.000 19.504 ( 0.000 0.000 0.000) 0.000 19.504 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/261) =======================q-point: ( 0.06 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.119 ( 48.505 28.004 20.149) 59.522 1.128 ( 47.904 27.657 39.137) 67.759 2.116 ( 90.294 52.132 -30.811) 108.720 6.585 ( -1.800 -1.039 -9.991) 10.205 7.596 ( -2.803 -1.618 0.369) 3.258 8.674 ( 1.772 1.023 9.208) 9.432 9.198 ( 8.218 4.745 4.995) 10.723 9.325 ( 17.533 10.123 -4.367) 20.711 11.498 ( 0.640 0.369 0.161) 0.756 14.390 ( -8.221 -4.747 -0.210) 9.495 16.916 ( -3.406 -1.966 -0.073) 3.934 19.360 ( -1.420 -0.820 -2.287) 2.814 19.477 ( 8.128 4.693 0.467) 9.397 19.514 ( 0.663 0.383 1.024) 1.279 24.380 ( -5.146 -2.971 -0.247) 5.948======================= Grid point 2 (3/261) =======================q-point: ( 0.12 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.211 ( 45.032 25.999 38.358) 64.615 2.253 ( 48.877 28.219 23.042) 60.961 4.172 ( 86.060 49.687 -29.954) 103.790 6.542 ( -1.497 -0.864 -17.680) 17.764 7.503 ( -4.963 -2.866 4.753) 7.446 8.771 ( 6.732 3.887 6.952) 10.429 9.465 ( 14.348 8.284 7.438) 18.160 9.814 ( 22.205 12.820 -4.942) 26.112 11.524 ( 1.707 0.986 1.243) 2.330 14.175 ( -8.379 -4.837 0.085) 9.675 16.796 ( -6.907 -3.988 -0.418) 7.986 19.320 ( -1.931 -1.115 -3.091) 3.811 19.528 ( 0.427 0.247 1.033) 1.145 19.726 ( 12.590 7.269 1.391) 14.604 24.205 ( -9.886 -5.708 -0.456) 11.425======================= Grid point 3 (4/261) =======================q-point: ( 0.18 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.207 ( 40.506 23.386 37.315) 59.834 3.374 ( 47.182 27.241 27.330) 60.952 6.051 ( 72.304 41.745 -27.963) 88.048 6.527 ( 0.287 0.166 -22.975) 22.977 7.397 ( -1.705 -0.985 12.186) 12.344 8.989 ( 12.161 7.021 -4.458) 14.733 9.846 ( 18.192 10.503 7.214) 22.210 10.236 ( 11.793 6.808 -6.380) 15.038 11.591 ( 4.553 2.628 4.017) 6.616 14.103 ( 4.252 2.455 1.570) 5.154 16.594 ( -10.543 -6.087 -0.937) 12.210 19.270 ( -2.387 -1.378 -2.952) 4.039 19.534 ( 0.233 0.134 0.826) 0.868 20.030 ( 12.949 7.476 2.628) 15.181 23.926 ( -13.954 -8.057 -0.566) 16.123======================= Grid point 4 (5/261) =======================q-point: ( 0.24 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.083 ( 34.651 20.005 36.239) 53.983 4.419 ( 42.176 24.350 32.399) 58.493 6.552 ( 1.679 0.969 -26.670) 26.741 6.916 ( -0.508 -0.293 3.120) 3.174 7.969 ( 51.221 29.572 -6.671) 59.520 9.346 ( 18.847 10.881 -24.664) 32.892 10.295 ( 20.117 11.614 5.444) 23.858 10.321 ( -3.120 -1.801 -6.382) 7.329 11.770 ( 11.954 6.902 7.433) 15.677 14.412 ( 21.508 12.418 4.167) 25.183 16.306 ( -14.182 -8.188 -1.530) 16.447 19.205 ( -3.254 -1.879 -2.301) 4.406 19.544 ( 0.702 0.405 0.765) 1.114 20.308 ( 10.759 6.212 3.618) 12.940 23.562 ( -17.271 -9.971 -0.479) 19.948======================= Grid point 5 (6/261) =======================q-point: ( 0.29 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.810 ( 27.911 16.114 35.158) 47.695 5.303 ( 33.181 19.157 36.515) 52.927 6.593 ( 1.533 0.885 -29.201) 29.255 6.752 ( -9.258 -5.345 14.625) 18.115 8.904 ( 22.480 12.979 -17.942) 31.555 9.823 ( 18.703 10.798 -30.512) 37.381 10.280 ( 5.827 3.364 -4.833) 8.284 10.765 ( 20.005 11.550 3.267) 23.329 12.215 ( 27.898 16.107 5.726) 32.719 15.013 ( 27.942 16.132 7.449) 33.113 15.939 ( -17.196 -9.928 -2.394) 20.000 19.119 ( -4.124 -2.381 -1.527) 5.000 19.570 ( 1.551 0.896 0.890) 2.000 20.526 ( 8.171 4.718 3.625) 10.108 23.130 ( -19.831 -11.449 -0.054) 22.899======================= Grid point 6 (7/261) =======================q-point: ( 0.35 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.377 ( 20.908 12.071 33.563) 41.344 5.910 ( 17.174 9.915 33.901) 39.275 6.580 ( -3.147 -1.817 18.761) 19.110 6.612 ( -0.029 -0.017 -30.237) 30.237 9.010 ( -7.950 -4.590 -33.937) 35.157 10.248 ( 20.952 12.097 -3.185) 24.402 10.562 ( 12.268 7.083 -12.509) 18.898 11.205 ( 17.394 10.042 1.484) 20.139 13.052 ( 41.362 23.880 -1.891) 47.798 15.527 ( -17.111 -9.879 -9.578) 21.957 15.613 ( 21.530 12.431 16.597) 29.892 19.020 ( -4.254 -2.456 -0.870) 4.989 19.613 ( 2.053 1.185 0.988) 2.568 20.703 ( 7.550 4.359 2.028) 8.951 22.648 ( -21.477 -12.400 0.840) 24.814======================= Grid point 7 (8/261) =======================q-point: ( 0.41 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.783 ( 13.997 8.081 29.414) 33.562 6.044 ( -2.377 -1.372 17.392) 17.607 6.589 ( -1.934 -1.117 -27.853) 27.942 6.685 ( 9.362 5.405 24.129) 26.440 8.764 ( -10.649 -6.148 -27.676) 30.284 10.682 ( 9.965 5.753 -8.292) 14.183 10.840 ( 16.718 9.652 -1.682) 19.377 11.552 ( 12.013 6.936 0.444) 13.879 13.938 ( 29.450 17.003 -0.699) 34.013 15.217 ( -5.483 -3.165 -15.190) 16.456 15.961 ( 7.214 4.165 18.390) 20.189 18.930 ( -3.261 -1.883 -0.402) 3.787 19.659 ( 1.762 1.017 0.808) 2.189 20.905 ( 10.415 6.013 -0.807) 12.053 22.143 ( -21.666 -12.509 2.131) 25.109======================= Grid point 8 (9/261) =======================q-point: ( 0.47 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.972 ( -2.126 -1.227 5.475) 6.000 6.018 ( 5.680 3.279 14.847) 16.231 6.538 ( -1.793 -1.035 -14.407) 14.555 6.860 ( 4.305 2.485 10.887) 11.968 8.581 ( -4.353 -2.513 -11.104) 12.189 10.783 ( 1.526 0.881 -2.787) 3.298 11.198 ( 9.535 5.505 -1.143) 11.069 11.745 ( 4.313 2.490 0.062) 4.981 14.243 ( 1.032 0.596 3.431) 3.632 15.403 ( 15.745 9.090 -20.458) 27.369 15.943 ( -7.097 -4.097 18.240) 19.996 18.876 ( -1.232 -0.711 -0.109) 1.426 19.689 ( 0.695 0.401 0.314) 0.862 21.198 ( 14.171 8.182 -2.764) 16.596 21.665 ( -18.406 -10.627 2.990) 21.462======================= Grid point 18 (10/261) =======================q-point: ( 0.06 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.405 ( 20.725 35.897 0.000) 41.451 2.481 ( 35.258 61.069 0.000) 70.517 3.538 ( 48.535 84.066 0.000) 97.071 6.549 ( -1.283 -2.223 0.000) 2.566 7.545 ( -1.901 -3.292 0.000) 3.801 8.727 ( 2.841 4.920 0.000) 5.681 9.388 ( 7.925 13.726 0.000) 15.850 9.667 ( 12.551 21.739 0.000) 25.102 11.514 ( 0.736 1.275 0.000) 1.473 14.230 ( -5.552 -9.616 0.000) 11.104 16.836 ( -3.441 -5.959 0.000) 6.881 19.385 ( 0.322 0.558 0.000) 0.644 19.450 ( -0.206 -0.356 0.000) 0.411 19.675 ( 6.152 10.656 0.000) 12.304 24.260 ( -5.114 -8.857 0.000) 10.228======================= Grid point 19 (11/261) =======================q-point: ( 0.12 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.287 ( 45.368 16.679 17.581) 51.434 3.612 ( 21.742 67.886 21.047) 74.325 5.291 ( 65.054 59.071 -19.105) 89.925 6.509 ( -0.324 -2.457 -10.896) 11.174 7.473 ( -3.833 0.586 4.422) 5.881 8.885 ( 8.036 7.902 0.374) 11.276 9.729 ( 12.511 17.652 4.563) 22.112 10.099 ( 13.502 13.469 -3.624) 19.412 11.555 ( 2.294 2.194 1.536) 3.526 14.087 ( -1.304 -2.200 0.479) 2.602 16.675 ( -6.986 -8.086 -0.401) 10.693 19.350 ( -5.068 3.490 -2.696) 6.718 19.484 ( 4.284 -2.961 1.565) 5.438 19.921 ( 9.222 10.622 1.130) 14.112 24.029 ( -9.456 -11.654 -0.294) 15.010======================= Grid point 20 (12/261) =======================q-point: ( 0.18 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.233 ( 48.397 6.710 24.685) 54.742 4.621 ( 16.064 66.792 29.643) 74.819 6.479 ( 3.323 -3.461 -17.478) 18.125 6.722 ( 33.126 16.991 -14.913) 40.105 7.619 ( 20.781 28.118 3.493) 35.137 9.170 ( 13.809 11.172 -11.882) 21.370 10.156 ( 13.863 19.329 6.595) 24.684 10.321 ( 3.186 1.560 -7.349) 8.161 11.660 ( 6.963 4.262 4.865) 9.504 14.221 ( 13.125 9.948 2.309) 16.630 16.429 ( -10.617 -10.271 -0.955) 14.803 19.292 ( -5.514 3.062 -2.412) 6.753 19.525 ( 2.388 -0.263 0.986) 2.597 20.186 ( 10.204 7.391 2.527) 12.850 23.703 ( -12.963 -14.033 -0.409) 19.109======================= Grid point 21 (13/261) =======================q-point: ( 0.24 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.081 ( 44.496 0.100 28.168) 52.663 5.493 ( 9.926 59.626 35.687) 70.195 6.475 ( 3.332 -7.701 -17.486) 19.395 6.884 ( -4.190 -1.011 0.651) 4.360 8.630 ( 35.199 33.557 -8.193) 49.317 9.590 ( 19.554 12.317 -32.273) 39.695 10.247 ( -1.563 -3.734 -2.201) 4.607 10.647 ( 14.389 22.368 2.349) 26.700 11.933 ( 18.620 9.376 6.991) 21.988 14.707 ( 24.933 16.424 5.124) 30.293 16.100 ( -14.034 -12.289 -1.664) 18.728 19.217 ( -6.411 2.775 -1.739) 7.199 19.567 ( 1.262 2.306 0.746) 2.733 20.414 ( 9.276 3.998 3.331) 10.636 23.301 ( -15.725 -15.777 -0.244) 22.277======================= Grid point 22 (14/261) =======================q-point: ( 0.29 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.778 ( 38.014 -4.324 29.609) 48.378 6.085 ( -0.074 33.754 35.206) 48.773 6.429 ( 2.058 -9.522 -12.301) 15.691 6.851 ( -4.354 16.771 0.691) 17.340 9.143 ( -2.807 10.279 -26.453) 28.518 10.008 ( 19.162 8.940 -11.754) 24.193 10.397 ( 14.442 7.853 -10.763) 19.649 11.113 ( 12.587 22.294 1.425) 25.642 12.559 ( 37.496 17.402 2.083) 41.389 15.322 ( 25.570 13.895 8.550) 30.331 15.703 ( -16.099 -13.438 -2.719) 21.146 19.127 ( -7.159 3.008 -1.094) 7.842 19.615 ( 0.702 3.629 0.800) 3.782 20.596 ( 8.484 2.201 2.787) 9.197 22.844 ( -17.813 -16.652 0.331) 24.386======================= Grid point 23 (15/261) =======================q-point: ( 0.35 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.322 ( 30.860 -6.554 29.510) 43.198 6.130 ( -5.710 -2.945 19.740) 20.759 6.387 ( 0.824 -7.567 -17.247) 18.852 7.092 ( -5.870 41.505 16.414) 45.017 8.980 ( -15.739 1.645 -29.641) 33.601 10.486 ( 19.893 9.626 -7.006) 23.184 10.700 ( 11.602 8.988 -6.008) 15.859 11.513 ( 8.372 19.987 0.407) 21.674 13.470 ( 41.895 16.596 -2.523) 45.133 15.308 ( -12.569 -11.324 -9.071) 19.196 15.799 ( 16.116 5.338 15.165) 22.764 19.036 ( -7.077 4.033 -0.604) 8.168 19.660 ( 0.380 3.197 0.774) 3.312 20.775 ( 9.837 2.957 0.679) 10.294 22.355 ( -19.025 -16.300 1.359) 25.090======================= Grid point 24 (16/261) =======================q-point: ( 0.41 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.728 ( 23.298 -6.382 27.352) 36.492 5.995 ( -2.913 -5.959 10.404) 12.338 6.276 ( 0.416 -15.970 -22.795) 27.836 7.363 ( -13.601 43.610 15.808) 48.339 8.746 ( -12.876 4.058 -19.743) 23.918 10.721 ( 5.719 -0.936 -5.936) 8.295 11.084 ( 14.037 13.703 -1.867) 19.705 11.787 ( 1.813 16.009 -0.007) 16.112 14.115 ( 16.110 0.592 3.627) 16.523 15.198 ( 10.823 0.877 -20.435) 23.141 15.949 ( 1.027 -5.498 19.025) 19.830 18.970 ( -6.043 5.810 -0.261) 8.387 19.689 ( 0.188 1.717 0.448) 1.784 21.018 ( 13.642 4.928 -1.784) 14.614 21.869 ( -18.550 -14.026 2.482) 23.388======================= Grid point 25 (17/261) =======================q-point: ( 0.47 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.936 ( 1.687 -2.922 -0.000) 3.374 5.962 ( 4.755 -8.236 -0.000) 9.510 6.137 ( 11.714 -20.289 0.000) 23.427 7.468 ( -22.864 39.602 0.000) 45.728 8.649 ( -5.060 8.765 -0.000) 10.121 10.761 ( 1.748 -3.027 0.000) 3.496 11.296 ( -2.443 4.232 -0.000) 4.886 11.885 ( -6.431 11.138 0.000) 12.862 14.186 ( 3.344 -5.792 -0.000) 6.688 15.458 ( 3.388 -5.869 0.000) 6.777 15.833 ( 2.744 -4.752 -0.000) 5.487 18.946 ( -4.298 7.445 0.000) 8.597 19.700 ( -0.372 0.644 -0.000) 0.744 21.272 ( 2.680 -4.641 0.000) 5.359 21.524 ( -0.309 0.535 -0.000) 0.618======================= Grid point 37 (18/261) =======================q-point: ( 0.12 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.812 ( 18.778 32.525 0.000) 37.556 4.884 ( 33.333 57.735 0.000) 66.667 6.398 ( 24.936 43.190 0.000) 49.872 6.452 ( -1.598 -2.769 0.000) 3.197 7.618 ( 11.443 19.821 0.000) 22.887 9.103 ( 7.999 13.855 0.000) 15.998 10.151 ( 13.591 23.541 0.000) 27.183 10.284 ( 2.153 3.730 0.000) 4.307 11.620 ( 2.674 4.632 0.000) 5.349 14.157 ( 6.008 10.407 0.000) 12.017 16.470 ( -7.100 -12.297 0.000) 14.199 19.413 ( -0.598 -1.036 0.000) 1.196 19.454 ( 1.906 3.302 0.000) 3.812 20.130 ( 5.705 9.881 0.000) 11.410 23.743 ( -9.569 -16.575 0.000) 19.139======================= Grid point 38 (19/261) =======================q-point: ( 0.18 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.505 ( 29.344 18.860 11.245) 36.651 5.903 ( 15.452 55.390 19.465) 60.710 6.407 ( -1.036 0.896 -4.304) 4.517 6.817 ( 7.742 -2.772 -7.721) 11.280 8.413 ( 32.839 44.648 -2.567) 55.484 9.437 ( 13.080 14.798 -12.546) 23.399 10.248 ( -3.216 -4.992 -0.805) 5.993 10.654 ( 14.427 26.508 0.305) 30.181 11.772 ( 9.203 7.470 3.267) 12.295 14.511 ( 16.815 18.514 1.860) 25.079 16.180 ( -10.641 -14.427 -0.604) 17.937 19.362 ( -5.113 2.821 -1.190) 5.959 19.552 ( 3.909 3.648 0.609) 5.381 20.313 ( 6.549 5.070 1.447) 8.408 23.371 ( -12.526 -18.674 -0.132) 22.486======================= Grid point 39 (20/261) =======================q-point: ( 0.24 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.176 ( 31.133 8.851 17.701) 36.891 6.228 ( 0.255 -6.410 3.715) 7.413 6.514 ( -7.436 14.054 10.060) 18.815 7.072 ( 10.160 36.431 3.908) 38.023 9.260 ( 12.624 27.192 -7.108) 30.811 9.774 ( 13.740 4.848 -23.942) 28.027 10.259 ( 9.593 7.555 -3.310) 12.651 11.167 ( 12.140 28.411 0.712) 30.904 12.155 ( 24.794 12.854 4.171) 28.237 15.048 ( 22.186 16.748 4.897) 28.226 15.814 ( -13.564 -16.043 -1.534) 21.064 19.295 ( -6.551 4.283 -0.925) 7.881 19.650 ( 1.383 6.229 0.335) 6.389 20.465 ( 7.674 1.159 2.221) 8.073 22.940 ( -14.514 -19.784 0.056) 24.537======================= Grid point 40 (21/261) =======================q-point: ( 0.29 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.757 ( 29.113 2.251 21.344) 36.169 6.103 ( -2.171 -12.362 5.300) 13.624 6.404 ( -6.993 -4.527 -6.285) 10.435 7.646 ( -1.013 53.575 21.837) 57.864 9.298 ( -15.206 5.352 -22.045) 27.310 10.206 ( 22.687 8.796 -9.972) 26.297 10.606 ( 12.392 14.816 -7.300) 20.649 11.628 ( 7.637 28.016 0.133) 29.038 12.888 ( 40.442 14.737 -0.023) 43.043 15.405 ( -13.819 -15.897 -5.649) 21.808 15.547 ( 18.960 7.846 10.870) 23.220 19.225 ( -7.357 6.193 -0.633) 9.638 19.716 ( -1.332 6.388 0.327) 6.534 20.619 ( 9.735 0.233 1.527) 9.857 22.477 ( -15.720 -19.302 0.650) 24.902======================= Grid point 41 (22/261) =======================q-point: ( 0.35 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.236 ( 25.609 -1.684 23.421) 34.745 5.939 ( -1.738 -11.927 4.039) 12.712 6.213 ( -6.232 -10.277 -14.114) 18.538 8.071 ( -11.092 51.831 24.164) 58.253 9.067 ( -16.336 6.709 -21.806) 28.060 10.557 ( 12.056 -1.195 -9.651) 15.489 11.009 ( 13.553 20.275 -3.236) 24.601 11.979 ( 1.279 25.465 -0.223) 25.498 13.688 ( 33.940 4.466 0.758) 34.241 15.090 ( -3.235 -9.871 -12.181) 16.008 15.811 ( 8.232 -4.270 14.723) 17.400 19.173 ( -7.297 9.250 -0.417) 11.789 19.732 ( -2.473 3.801 0.215) 4.539 20.821 ( 12.669 1.338 -0.214) 12.742 22.017 ( -15.931 -16.454 1.490) 22.950======================= Grid point 42 (23/261) =======================q-point: ( 0.41 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.615 ( 21.105 -4.556 24.663) 32.779 5.821 ( 1.214 -11.578 -8.441) 14.380 5.988 ( -5.854 -11.103 -11.497) 17.022 8.302 ( -20.492 48.071 12.810) 53.804 8.900 ( -11.762 10.458 -11.608) 19.557 10.663 ( 5.031 -4.533 -3.239) 7.507 11.372 ( 4.293 14.566 -1.912) 15.305 12.170 ( -6.618 21.265 -0.135) 22.272 14.003 ( 9.123 -10.454 3.375) 14.280 15.204 ( 17.438 -1.769 -16.090) 23.793 15.753 ( -2.194 -13.037 14.316) 19.486 19.156 ( -7.378 12.299 -0.151) 14.343 19.720 ( -1.337 1.236 0.020) 1.821 21.069 ( 13.675 -1.385 -1.199) 13.797 21.625 ( -12.226 -8.567 1.572) 15.011======================= Grid point 55 (24/261) =======================q-point: ( 0.18 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.939 ( 13.444 23.286 0.000) 26.889 6.183 ( -3.465 -6.002 0.000) 6.930 6.668 ( -4.664 -8.078 0.000) 9.328 7.183 ( 29.394 50.912 0.000) 58.788 9.263 ( 21.361 36.998 0.000) 42.722 9.683 ( 3.081 5.337 0.000) 6.162 10.215 ( 4.252 7.365 0.000) 8.505 11.212 ( 16.179 28.022 0.000) 32.357 11.997 ( 9.292 16.094 0.000) 18.584 14.931 ( 12.774 22.125 0.000) 25.548 15.852 ( -10.473 -18.140 0.000) 20.946 19.385 ( -0.123 -0.213 0.000) 0.245 19.673 ( 4.368 7.565 0.000) 8.736 20.394 ( 1.922 3.328 0.000) 3.843 22.964 ( -12.352 -21.395 0.000) 24.705======================= Grid point 56 (25/261) =======================q-point: ( 0.24 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.411 ( 18.692 13.945 7.845) 24.605 6.032 ( -3.698 -10.523 0.372) 11.160 6.466 ( -7.431 -9.364 -1.131) 12.008 8.105 ( 14.191 53.377 11.760) 56.469 9.574 ( -10.485 3.109 -5.358) 12.179 9.904 ( 20.589 10.014 -9.548) 24.806 10.572 ( 13.475 22.610 -4.102) 26.638 11.753 ( 12.380 28.949 0.257) 31.486 12.459 ( 24.394 17.527 1.151) 30.060 15.351 ( 13.847 12.689 2.930) 19.009 15.461 ( -12.477 -18.706 -0.884) 22.503 19.368 ( -2.895 2.812 -0.242) 4.044 19.816 ( 0.812 9.724 -0.150) 9.759 20.468 ( 5.790 -0.594 0.948) 5.897 22.524 ( -13.285 -20.991 0.176) 24.842======================= Grid point 57 (26/261) =======================q-point: ( 0.29 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.858 ( 20.008 7.338 13.168) 25.051 5.857 ( -3.101 -11.626 -0.008) 12.032 6.234 ( -7.476 -10.712 -5.383) 14.129 8.725 ( -2.512 49.684 22.099) 54.435 9.407 ( -13.310 7.921 -12.216) 19.726 10.285 ( 17.311 -0.567 -12.554) 21.391 11.032 ( 10.916 26.122 -4.836) 28.722 12.203 ( 5.694 28.256 0.208) 28.825 13.132 ( 33.656 9.015 0.489) 34.846 15.078 ( -9.495 -15.968 -5.188) 19.288 15.621 ( 9.112 -0.802 8.091) 12.212 19.357 ( -3.414 6.668 -0.282) 7.497 19.867 ( -5.578 8.402 -0.283) 10.088 20.605 ( 11.367 -1.894 0.690) 11.545 22.095 ( -13.027 -17.850 0.632) 22.107======================= Grid point 58 (27/261) =======================q-point: ( 0.35 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.249 ( 18.860 2.570 17.140) 25.614 5.705 ( -1.228 -10.917 -6.710) 12.873 5.995 ( -6.993 -10.754 -5.572) 13.985 9.040 ( -9.476 35.561 22.996) 43.396 9.287 ( -17.586 21.789 -15.608) 32.057 10.495 ( 9.578 -3.726 -8.182) 13.136 11.458 ( 7.263 23.591 -4.417) 25.076 12.502 ( -2.928 25.637 0.079) 25.804 13.640 ( 20.411 -8.934 3.661) 22.579 14.926 ( 8.093 -6.345 -12.486) 16.176 15.631 ( 0.472 -13.237 11.725) 17.690 19.393 ( -3.537 12.281 -0.238) 12.783 19.806 ( -7.249 3.486 -0.291) 8.049 20.803 ( 13.592 -4.021 -0.088) 14.174 21.734 ( -11.046 -10.674 0.905) 15.387======================= Grid point 59 (28/261) =======================q-point: ( 0.41 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.526 ( 4.742 -8.214 -0.000) 9.484 5.572 ( 4.401 -7.623 0.000) 8.802 5.846 ( 2.365 -4.096 -0.000) 4.730 9.138 ( -7.537 13.055 -0.000) 15.074 9.237 ( -24.485 42.408 0.000) 48.969 10.557 ( 2.960 -5.127 -0.000) 5.920 11.661 ( -8.122 14.067 0.000) 16.244 12.607 ( -12.200 21.131 0.000) 24.400 13.726 ( 9.643 -16.702 -0.000) 19.286 15.079 ( 6.329 -10.961 0.000) 12.657 15.490 ( 6.601 -11.433 -0.000) 13.202 19.440 ( -8.652 14.985 0.000) 17.304 19.743 ( -0.888 1.538 -0.000) 1.776 20.925 ( 6.903 -11.956 0.000) 13.806 21.561 ( -0.622 1.077 -0.000) 1.244======================= Grid point 74 (29/261) =======================q-point: ( 0.24 0.24 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.716 ( 9.189 15.915 0.000) 18.377 5.824 ( -5.678 -9.835 0.000) 11.356 6.246 ( -6.795 -11.770 0.000) 13.591 9.025 ( 19.289 33.410 0.000) 38.578 9.620 ( 4.018 6.959 0.000) 8.036 10.058 ( 3.103 5.375 0.000) 6.206 11.090 ( 15.377 26.634 0.000) 30.755 12.300 ( 14.302 24.772 0.000) 28.604 12.853 ( 12.062 20.893 0.000) 24.125 15.082 ( -10.426 -18.058 0.000) 20.852 15.529 ( 2.526 4.375 0.000) 5.052 19.418 ( 1.508 2.612 0.000) 3.016 20.000 ( 4.047 7.010 0.000) 8.094 20.460 ( 0.423 0.733 0.000) 0.847 22.118 ( -10.857 -18.805 0.000) 21.714======================= Grid point 75 (30/261) =======================q-point: ( 0.29 0.24 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.036 ( 12.179 9.985 6.096) 16.888 5.647 ( -3.566 -8.996 -2.329) 9.953 6.007 ( -6.995 -11.441 -1.782) 13.528 9.339 ( -1.531 11.379 2.004) 11.656 9.854 ( -10.510 31.548 12.980) 35.696 10.247 ( 18.121 1.323 -14.571) 23.290 11.587 ( 9.445 27.647 -3.716) 29.451 12.729 ( 6.637 23.104 1.011) 24.060 13.230 ( 16.048 0.227 1.170) 16.092 14.800 ( -2.757 -10.360 -4.127) 11.487 15.511 ( -1.432 -9.980 4.401) 11.001 19.496 ( 2.184 7.524 -0.099) 7.835 20.030 ( -8.966 6.755 -0.473) 11.236 20.533 ( 10.100 -5.120 0.438) 11.332 21.791 ( -8.452 -11.802 0.266) 14.519======================= Grid point 76 (31/261) =======================q-point: ( 0.35 0.24 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.322 ( 11.515 4.106 10.856) 16.350 5.519 ( -2.628 -6.865 -9.575) 12.071 5.796 ( -3.674 -8.946 -0.281) 9.675 9.385 ( -5.604 11.877 -0.015) 13.133 9.880 ( -10.070 16.078 5.119) 19.649 10.538 ( 1.447 14.443 -4.486) 15.192 11.934 ( -1.289 23.364 -3.168) 23.613 12.972 ( -4.214 20.021 0.954) 20.482 13.354 ( 10.812 -18.590 2.011) 21.599 14.830 ( 10.868 -3.269 -6.789) 13.224 15.313 ( -2.549 -17.061 5.993) 18.262 19.651 ( 3.469 12.847 -0.005) 13.307 19.869 ( -13.275 2.696 -0.339) 13.550 20.648 ( 10.451 -10.676 0.188) 14.941 21.604 ( -4.105 -2.798 0.184) 4.971======================= Grid point 92 (32/261) =======================q-point: ( 0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.240 ( 5.547 9.608 0.000) 11.094 5.508 ( -2.534 -4.389 0.000) 5.068 5.784 ( -6.010 -10.409 0.000) 12.020 9.512 ( 4.461 7.727 0.000) 8.922 9.983 ( -3.923 -6.795 0.000) 7.846 10.667 ( 14.627 25.335 0.000) 29.254 12.101 ( 12.950 22.430 0.000) 25.900 13.066 ( 1.057 1.830 0.000) 2.113 13.163 ( 0.953 1.650 0.000) 1.906 14.710 ( 1.117 1.936 0.000) 2.235 15.245 ( -8.812 -15.262 0.000) 17.623 19.671 ( 5.733 9.930 0.000) 11.467 20.075 ( -2.247 -3.892 0.000) 4.494 20.442 ( -1.335 -2.312 0.000) 2.669 21.627 ( -2.737 -4.740 0.000) 5.474======================= Grid point 93 (33/261) =======================q-point: ( 0.35 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.356 ( 0.569 -0.986 -0.000) 1.139 5.485 ( -1.957 3.390 -0.000) 3.914 5.639 ( 3.636 -6.297 0.000) 7.272 9.618 ( -6.179 10.702 0.000) 12.358 9.878 ( 4.514 -7.819 -0.000) 9.028 10.941 ( -8.631 14.950 0.000) 17.263 12.385 ( -11.887 20.589 0.000) 23.774 12.935 ( 11.967 -20.728 -0.000) 23.934 13.266 ( -4.599 7.965 0.000) 9.198 14.806 ( -0.699 1.210 0.000) 1.398 15.011 ( 6.320 -10.947 0.000) 12.641 19.857 ( -2.683 4.648 -0.000) 5.367 19.934 ( -2.877 4.982 0.000) 5.753 20.432 ( 4.935 -8.548 0.000) 9.871 21.583 ( 0.065 -0.113 -0.000) 0.131======================= Grid point 307 (34/261) =======================q-point: ( 0.00 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 261Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.042 ( 0.000 0.000 53.427) 53.427 1.042 ( 0.000 -0.000 53.427) 53.427 1.689 ( -0.000 -0.000 87.032) 87.032 6.481 ( 0.000 0.000 -12.899) 12.899 6.481 ( 0.000 -0.000 -12.899) 12.899 9.154 ( -0.000 0.000 5.261) 5.261 9.154 ( 0.000 -0.000 5.261) 5.261 11.138 ( -0.000 0.000 -32.408) 32.408 12.794 ( -0.000 0.000 13.922) 13.922 16.987 ( -0.000 -0.000 3.129) 3.129 18.401 ( 0.000 0.000 2.622) 2.622 19.359 ( 0.000 0.000 -1.689) 1.689 19.359 ( 0.000 -0.000 -1.689) 1.689 19.520 ( 0.000 0.000 1.374) 1.374 19.520 ( 0.000 -0.000 1.374) 1.374======================= Grid point 308 (35/261) =======================q-point: ( 0.06 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.598 ( 59.796 34.523 8.281) 69.541 2.004 ( 44.361 25.612 48.082) 70.255 2.306 ( 47.134 27.213 61.362) 82.021 6.288 ( -8.002 -4.620 -20.136) 22.154 6.862 ( 19.667 11.355 -17.114) 28.436 9.171 ( 3.077 1.776 0.174) 3.557 9.327 ( 10.422 6.017 7.670) 14.271 10.723 ( -32.678 -18.867 8.880) 38.764 12.146 ( -29.656 -17.122 66.261) 74.587 15.108 ( -66.247 -38.248 64.282) 99.919 17.019 ( -7.030 -4.059 10.791) 13.503 19.312 ( -2.141 -1.236 -2.455) 3.484 19.506 ( 9.906 5.719 2.589) 11.728 19.536 ( 0.527 0.304 1.140) 1.292 22.718 ( 77.132 44.532 -101.838) 135.290======================= Grid point 309 (36/261) =======================q-point: ( 0.12 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.844 ( 48.549 28.030 26.410) 61.969 3.029 ( 43.120 24.895 44.454) 66.748 3.822 ( 75.923 43.834 3.667) 87.745 6.126 ( -5.693 -3.287 -24.938) 25.790 7.253 ( 13.405 7.740 -11.229) 19.123 9.118 ( -8.339 -4.814 -0.695) 9.654 9.620 ( 14.458 8.348 7.986) 18.507 10.315 ( 2.265 1.308 36.873) 36.966 11.820 ( -4.742 -2.738 34.875) 35.302 14.316 ( -16.856 -9.732 16.609) 25.587 16.826 ( -9.703 -5.602 3.063) 11.615 19.264 ( -1.937 -1.118 -2.537) 3.382 19.543 ( 0.082 0.047 0.567) 0.575 19.803 ( 14.658 8.463 6.495) 18.129 23.573 ( 11.800 6.813 -54.730) 56.400======================= Grid point 310 (37/261) =======================q-point: ( 0.18 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.960 ( 47.797 27.595 28.946) 62.321 3.986 ( 38.974 22.502 42.048) 61.590 5.540 ( 67.353 38.886 -19.837) 80.263 6.030 ( -2.613 -1.509 -28.193) 28.354 7.526 ( 12.710 7.338 5.374) 15.629 8.930 ( -6.159 -3.556 -9.852) 12.151 9.986 ( 16.879 9.745 6.757) 20.628 10.508 ( 7.796 4.501 29.149) 30.507 11.799 ( 2.568 1.483 18.780) 19.013 14.151 ( 2.965 1.712 4.856) 5.941 16.573 ( -12.020 -6.940 -1.610) 13.972 19.221 ( -1.884 -1.087 -2.073) 3.005 19.543 ( 0.011 0.007 0.092) 0.093 20.148 ( 14.365 8.294 9.478) 19.104 23.606 ( -5.903 -3.408 -30.161) 30.921======================= Grid point 311 (38/261) =======================q-point: ( 0.24 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.827 ( 33.190 19.162 39.999) 55.396 5.043 ( 44.658 25.783 29.985) 59.651 5.998 ( -0.320 -0.185 -30.506) 30.508 6.652 ( 23.338 13.474 -24.558) 36.460 8.076 ( 37.182 21.467 15.820) 45.756 8.836 ( -1.255 -0.724 -28.524) 28.561 10.395 ( 18.134 10.470 4.580) 21.434 10.557 ( -2.812 -1.624 26.970) 27.164 11.949 ( 10.802 6.237 10.909) 16.570 14.453 ( 21.598 12.470 1.179) 24.967 16.273 ( -13.595 -7.849 -2.466) 15.891 19.171 ( -2.466 -1.423 -1.150) 3.070 19.550 ( 0.688 0.397 -0.148) 0.808 20.446 ( 11.003 6.352 10.550) 16.514 23.374 ( -13.193 -7.617 -18.224) 23.753======================= Grid point 312 (39/261) =======================q-point: ( 0.29 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.512 ( 25.125 14.506 35.983) 46.222 5.974 ( 33.236 19.189 31.896) 49.902 6.010 ( 1.656 0.956 -29.996) 30.057 6.852 ( 1.418 0.819 -7.314) 7.495 8.549 ( -3.182 -1.837 -16.469) 16.874 9.278 ( 38.299 22.112 -21.019) 48.965 10.481 ( -1.376 -0.794 22.184) 22.241 10.818 ( 17.997 10.391 1.999) 20.877 12.339 ( 23.774 13.726 6.564) 28.226 15.014 ( 21.690 12.523 -5.605) 25.665 15.984 ( -8.536 -4.928 5.402) 11.239 19.104 ( -3.300 -1.905 0.011) 3.810 19.577 ( 1.657 0.957 -0.158) 1.920 20.652 ( 6.784 3.916 9.319) 12.173 23.018 ( -17.082 -9.862 -11.254) 22.710======================= Grid point 313 (40/261) =======================q-point: ( 0.35 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.866 ( 3.187 1.840 -9.599) 10.280 6.190 ( 15.810 9.128 12.941) 22.377 6.399 ( 1.520 0.877 13.365) 13.480 6.970 ( 9.686 5.592 20.355) 23.225 8.418 ( -3.962 -2.287 -24.705) 25.125 10.020 ( 23.632 13.644 -17.243) 32.279 10.557 ( 8.107 4.680 11.110) 14.528 11.215 ( 15.827 9.137 -0.457) 18.281 13.061 ( 37.030 21.379 2.386) 42.825 15.141 ( -10.738 -6.199 -20.214) 23.714 16.105 ( 17.409 10.051 23.713) 31.087 19.023 ( -3.534 -2.040 1.183) 4.249 19.622 ( 2.044 1.180 -0.121) 2.364 20.776 ( 4.436 2.561 5.567) 7.565 22.594 ( -19.159 -11.062 -6.343) 23.015======================= Grid point 314 (41/261) =======================q-point: ( 0.41 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.837 ( -3.840 -2.217 -26.805) 27.169 6.267 ( -9.240 -5.335 3.919) 11.367 6.566 ( 14.719 8.498 28.388) 33.087 7.057 ( -4.202 -2.426 11.547) 12.525 8.471 ( 8.335 4.812 0.110) 9.625 10.414 ( 11.624 6.711 -17.652) 22.176 10.832 ( 14.451 8.343 1.035) 16.718 11.533 ( 11.106 6.412 -2.328) 13.034 13.928 ( 33.059 19.087 0.422) 38.176 14.805 ( -12.668 -7.314 -23.002) 27.259 16.475 ( 10.568 6.101 29.107) 31.561 18.948 ( -2.733 -1.578 2.197) 3.845 19.665 ( 1.494 0.862 -0.276) 1.747 20.896 ( 6.890 3.978 0.114) 7.957 22.140 ( -19.689 -11.367 -2.504) 22.872======================= Grid point 315 (42/261) =======================q-point: ( 0.47 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.707 ( -7.270 -4.198 -29.361) 30.538 6.039 ( -9.711 -5.607 -1.281) 11.287 6.847 ( -11.942 -6.895 -6.730) 15.344 6.857 ( 10.416 6.014 29.901) 32.229 8.733 ( 12.937 7.469 23.146) 27.548 10.609 ( 5.914 3.414 -14.591) 16.110 11.141 ( 9.611 5.549 -4.380) 11.931 11.713 ( 4.016 2.318 -3.330) 5.709 14.194 ( -7.042 -4.066 -9.334) 12.379 14.951 ( 21.717 12.539 -18.245) 31.012 16.521 ( -6.563 -3.789 33.897) 34.733 18.904 ( -0.945 -0.546 2.869) 3.070 19.686 ( 0.224 0.129 -0.688) 0.735 21.126 ( 12.739 7.355 -4.328) 15.333 21.698 ( -17.618 -10.172 0.277) 20.345======================= Grid point 316 (43/261) =======================q-point: (-0.47 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.497 ( -10.944 -6.319 -29.892) 32.453 5.829 ( -8.530 -4.925 -11.770) 15.347 6.556 ( -12.297 -7.100 -12.939) 19.211 7.052 ( 6.388 3.688 29.750) 30.651 9.050 ( 14.354 8.287 32.373) 36.369 10.712 ( 3.127 1.805 -9.800) 10.444 11.176 ( -7.477 -4.317 -3.338) 9.256 11.710 ( -4.306 -2.486 -3.481) 6.070 14.065 ( -2.480 -1.432 -15.109) 15.379 15.290 ( 2.461 1.421 -15.357) 15.618 16.264 ( -11.526 -6.654 34.366) 36.853 18.908 ( 1.334 0.770 3.099) 3.461 19.674 ( -1.179 -0.680 -1.228) 1.833 21.220 ( -12.368 -7.141 -0.751) 14.301 21.596 ( 16.306 9.414 -3.654) 19.179======================= Grid point 317 (44/261) =======================q-point: (-0.41 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.192 ( -15.504 -8.951 -29.637) 34.625 5.609 ( -11.781 -6.802 -26.810) 30.064 6.318 ( -7.026 -4.056 -11.217) 13.844 7.155 ( 2.498 1.442 28.802) 28.946 9.393 ( 14.611 8.436 34.929) 38.790 10.709 ( -9.338 -5.391 -5.007) 11.888 10.877 ( -10.367 -5.985 1.303) 12.041 11.516 ( -12.149 -7.014 -3.171) 14.382 13.912 ( -17.765 -10.257 -4.660) 21.036 15.114 ( -9.072 -5.238 -18.508) 21.267 16.091 ( -5.383 -3.108 25.351) 26.102 18.963 ( 3.328 1.921 2.988) 4.867 19.635 ( -2.061 -1.190 -1.684) 2.915 20.920 ( -11.491 -6.634 0.671) 13.286 22.067 ( 21.821 12.599 -5.376) 25.764======================= Grid point 318 (45/261) =======================q-point: (-0.35 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.768 ( -21.200 -12.240 -28.766) 37.772 5.230 ( -21.101 -12.183 -33.988) 41.819 6.267 ( 2.465 1.423 -13.209) 13.513 7.170 ( -1.116 -0.644 26.969) 27.000 9.619 ( -1.824 -1.053 25.581) 25.668 10.323 ( -10.519 -6.073 8.146) 14.625 10.804 ( -2.784 -1.607 9.803) 10.317 11.161 ( -18.030 -10.410 -2.977) 21.031 13.136 ( -44.163 -25.497 6.454) 51.402 15.027 ( -3.765 -2.174 -28.995) 29.319 15.972 ( -2.656 -1.533 21.873) 22.087 19.055 ( 4.423 2.554 2.782) 5.816 19.585 ( -2.089 -1.206 -1.900) 3.070 20.695 ( -8.224 -4.748 1.191) 9.571 22.570 ( 20.980 12.113 -6.885) 25.185======================= Grid point 319 (46/261) =======================q-point: (-0.29 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.201 ( -27.707 -15.997 -27.231) 42.013 4.641 ( -29.254 -16.890 -30.249) 45.344 6.398 ( 7.977 4.606 -19.777) 21.817 7.110 ( -3.786 -2.186 24.075) 24.469 9.150 ( -32.526 -18.779 7.504) 38.300 10.380 ( 2.784 1.607 28.077) 28.261 10.637 ( -9.798 -5.657 26.223) 28.560 10.700 ( -21.166 -12.220 -3.288) 24.660 12.143 ( -34.834 -20.111 -1.088) 40.238 14.749 ( -19.125 -11.042 -17.771) 28.346 16.064 ( 9.707 5.604 8.878) 14.298 19.160 ( 4.456 2.573 2.713) 5.817 19.543 ( -1.440 -0.831 -1.882) 2.511 20.515 ( -7.840 -4.526 2.456) 9.380 23.026 ( 18.073 10.434 -10.252) 23.251======================= Grid point 320 (47/261) =======================q-point: (-0.24 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.481 ( -34.166 -19.726 -24.935) 46.670 3.890 ( -34.877 -20.136 -20.098) 45.009 6.593 ( 7.483 4.320 -25.083) 26.529 7.006 ( -4.923 -2.842 19.956) 20.750 8.201 ( -50.143 -28.950 13.749) 59.511 9.883 ( -30.688 -17.718 29.833) 46.322 10.201 ( -21.343 -12.323 -3.952) 24.960 10.687 ( 2.921 1.687 26.550) 26.764 11.684 ( -7.038 -4.064 -0.689) 8.156 14.291 ( -16.815 -9.708 -7.308) 20.746 16.335 ( 12.370 7.142 1.139) 14.329 19.256 ( 3.675 2.122 2.858) 5.116 19.519 ( -0.645 -0.373 -1.792) 1.941 20.312 ( -9.925 -5.730 4.025) 12.147 23.396 ( 13.472 7.778 -16.685) 22.812======================= Grid point 321 (48/261) =======================q-point: (-0.18 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.623 ( -39.377 -22.734 -21.265) 50.195 3.048 ( -36.891 -21.299 -3.581) 42.748 6.481 ( -41.686 -24.068 7.437) 48.706 6.892 ( -4.830 -2.789 14.258) 15.310 7.016 ( -27.138 -15.668 -13.427) 34.092 9.364 ( -11.130 -6.426 24.864) 27.989 9.731 ( -18.556 -10.713 -4.122) 21.819 10.575 ( -12.407 -7.163 24.064) 28.006 11.651 ( 2.073 1.197 11.616) 11.860 14.088 ( 0.469 0.271 1.312) 1.420 16.609 ( 10.998 6.350 0.342) 12.704 19.329 ( 2.576 1.487 2.984) 4.213 19.510 ( -0.247 -0.142 -1.693) 1.717 20.051 ( -12.379 -7.147 4.884) 15.105 23.629 ( 5.717 3.301 -28.851) 29.596======================= Grid point 322 (49/261) =======================q-point: (-0.12 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.678 ( -41.001 -23.672 -12.934) 49.079 2.220 ( -33.210 -19.174 21.529) 43.978 4.847 ( -80.686 -46.584 39.254) 101.100 6.780 ( -4.922 -2.842 6.426) 8.579 6.796 ( -8.418 -4.860 -44.130) 45.188 9.362 ( -12.769 -7.372 -2.561) 14.965 9.381 ( 9.035 5.216 24.974) 27.065 10.251 ( -8.195 -4.731 31.718) 33.100 11.748 ( 6.788 3.919 29.159) 30.194 14.303 ( 17.722 10.232 14.917) 25.323 16.841 ( 8.897 5.137 3.744) 10.935 19.375 ( 1.362 0.787 2.374) 2.848 19.505 ( -0.194 -0.112 -1.179) 1.200 19.752 ( -12.819 -7.401 4.151) 15.373 23.588 ( -12.260 -7.078 -54.130) 55.951======================= Grid point 323 (50/261) =======================q-point: (-0.06 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.846 ( -23.302 -13.453 18.496) 32.651 1.578 ( -20.335 -11.741 53.977) 58.863 2.940 ( -80.832 -46.668 51.183) 106.449 6.550 ( -10.554 -6.093 -35.817) 37.834 6.651 ( -6.400 -3.695 -3.329) 8.105 9.158 ( -4.516 -2.607 1.142) 5.338 9.356 ( -10.860 -6.270 7.758) 14.746 10.685 ( 37.795 21.821 11.672) 45.176 12.112 ( 31.749 18.330 65.390) 74.966 15.095 ( 65.894 38.044 62.409) 98.409 17.020 ( 6.682 3.858 10.671) 13.168 19.387 ( -0.406 -0.234 0.247) 0.529 19.490 ( -8.877 -5.125 1.856) 10.417 19.505 ( 0.348 0.201 0.380) 0.553 22.721 ( -77.689 -44.854 -102.088) 135.902======================= Grid point 325 (51/261) =======================q-point: ( 0.06 0.06 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.927 ( 57.822 7.490 38.679) 69.968 2.344 ( 53.661 39.989 1.081) 66.931 3.984 ( 11.908 92.633 38.831) 101.146 6.351 ( -16.994 7.580 -22.841) 29.461 7.061 ( 18.327 8.434 -16.595) 26.122 9.207 ( -4.916 0.935 0.990) 5.101 9.508 ( 8.491 7.443 10.748) 15.589 10.276 ( -0.935 -9.727 38.520) 39.740 11.827 ( -2.850 -10.154 39.447) 40.832 14.434 ( -13.089 -23.489 22.779) 35.241 16.889 ( -5.371 -8.411 5.003) 11.164 19.359 ( -5.410 3.635 -1.937) 6.799 19.481 ( 3.068 -2.445 2.297) 4.546 19.710 ( 8.303 11.547 3.842) 14.732 23.476 ( 11.918 21.683 -65.145) 69.686======================= Grid point 326 (52/261) =======================q-point: ( 0.12 0.06 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.918 ( 54.588 2.442 43.965) 70.134 3.792 ( 55.408 41.816 -5.144) 69.607 5.206 ( 29.721 75.520 14.509) 82.445 6.170 ( -11.055 5.562 -24.005) 27.007 7.398 ( 12.475 7.700 -3.831) 15.152 9.043 ( -8.519 -0.636 -0.067) 8.543 9.839 ( 15.080 13.491 7.363) 21.532 10.411 ( 8.663 8.096 29.336) 31.641 11.759 ( 1.535 -2.599 21.734) 21.942 14.143 ( -3.135 -5.570 6.984) 9.467 16.674 ( -8.848 -9.270 -0.046) 12.815 19.302 ( -5.294 4.060 -2.169) 7.015 19.511 ( 2.852 -2.331 1.097) 3.843 20.005 ( 11.890 10.541 7.574) 17.602 23.636 ( -1.457 -1.655 -36.513) 36.580======================= Grid point 327 (53/261) =======================q-point: ( 0.18 0.06 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.873 ( 53.700 -2.015 39.386) 66.625 5.042 ( 36.111 49.205 8.817) 61.667 6.064 ( -5.490 5.441 -23.487) 24.726 6.364 ( 28.272 33.925 -13.304) 46.121 7.795 ( 22.513 22.981 11.798) 34.266 8.941 ( -7.024 5.844 -14.541) 17.174 10.262 ( 14.995 17.596 5.223) 23.701 10.552 ( 1.229 -0.258 26.880) 26.910 11.830 ( 7.520 1.814 12.805) 14.960 14.249 ( 13.724 8.637 1.792) 16.314 16.400 ( -11.296 -10.133 -2.474) 15.376 19.253 ( -5.116 3.810 -1.528) 6.560 19.536 ( 1.704 -0.153 0.183) 1.721 20.306 ( 11.886 6.839 9.746) 16.823 23.476 ( -8.917 -9.682 -21.877) 25.532======================= Grid point 328 (54/261) =======================q-point: ( 0.24 0.06 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.719 ( 48.012 -6.853 36.428) 60.655 5.948 ( 9.961 9.810 -19.905) 24.324 6.143 ( 8.732 45.057 15.696) 48.505 6.786 ( 6.590 0.735 -12.663) 14.294 8.623 ( 19.058 29.625 10.889) 36.870 8.942 ( 10.080 12.031 -34.671) 38.058 10.491 ( -2.243 -4.139 24.705) 25.150 10.706 ( 13.477 20.379 2.971) 24.612 12.085 ( 17.556 7.540 8.311) 20.836 14.731 ( 24.505 14.317 -1.583) 28.426 16.091 ( -11.510 -9.861 0.029) 15.156 19.195 ( -5.798 3.487 -0.498) 6.783 19.572 ( 1.260 2.151 -0.202) 2.501 20.542 ( 9.384 2.898 9.794) 13.870 23.163 ( -13.130 -13.363 -13.715) 23.218======================= Grid point 329 (55/261) =======================q-point: ( 0.29 0.06 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.391 ( 38.364 -10.080 31.126) 50.420 5.969 ( 1.645 -5.275 -26.710) 27.276 6.608 ( -7.244 9.836 15.776) 19.953 7.053 ( 11.797 37.030 12.776) 40.910 8.631 ( -15.535 9.564 -23.942) 30.100 9.687 ( 31.202 17.229 -16.075) 39.100 10.485 ( 4.388 2.088 16.333) 17.041 11.134 ( 11.406 20.719 0.513) 23.657 12.634 ( 32.396 15.446 5.079) 36.247 15.159 ( 5.990 0.231 -15.737) 16.840 15.936 ( 6.548 1.025 16.899) 18.152 19.122 ( -6.507 3.534 0.628) 7.431 19.620 ( 0.918 3.411 -0.220) 3.539 20.695 ( 6.661 0.410 7.414) 9.975 22.766 ( -15.645 -15.034 -8.336) 23.244======================= Grid point 330 (56/261) =======================q-point: ( 0.35 0.06 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.771 ( 9.866 -7.864 -8.400) 15.157 6.010 ( 18.993 -13.095 6.998) 24.108 6.452 ( -8.673 -5.194 13.303) 16.709 7.504 ( -10.788 40.566 17.657) 45.538 8.527 ( -4.960 11.910 -14.318) 19.274 10.220 ( 17.918 6.270 -17.315) 25.694 10.690 ( 11.846 9.067 4.423) 15.559 11.504 ( 7.489 19.193 -1.398) 20.650 13.462 ( 39.886 17.600 1.793) 43.634 14.951 ( -13.924 -11.773 -21.314) 28.050 16.271 ( 18.216 5.144 26.227) 32.344 19.046 ( -6.477 4.316 1.662) 7.959 19.665 ( 0.385 2.870 -0.244) 2.906 20.808 ( 6.544 0.953 2.814) 7.187 22.327 ( -16.958 -15.159 -4.242) 23.138======================= Grid point 331 (57/261) =======================q-point: ( 0.41 0.06 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.698 ( -2.590 -11.082 -27.123) 29.414 6.128 ( -3.660 -6.840 3.654) 8.575 6.368 ( 15.964 -14.385 27.997) 35.293 7.509 ( -26.112 32.312 -1.356) 41.566 8.702 ( 5.132 17.162 14.983) 23.353 10.493 ( 10.240 1.317 -16.656) 19.597 11.027 ( 12.724 11.003 -3.645) 17.212 11.762 ( 1.321 15.988 -2.544) 16.243 14.140 ( 13.937 -0.262 -0.941) 13.971 14.729 ( 8.063 1.668 -22.986) 24.416 16.488 ( 4.803 -5.170 31.166) 31.955 18.991 ( -5.562 5.899 2.460) 8.473 19.689 ( -0.029 1.276 -0.552) 1.391 20.977 ( 10.757 3.962 -2.189) 11.671 21.883 ( -16.882 -13.550 -1.084) 21.675======================= Grid point 332 (58/261) =======================q-point: ( 0.47 0.06 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.496 ( -5.415 -15.107 -26.924) 31.344 5.941 ( -7.950 -4.427 -1.636) 9.245 6.499 ( 10.360 -10.946 14.548) 20.947 7.364 ( -23.161 27.038 -0.891) 35.613 8.981 ( 7.257 15.935 27.816) 32.868 10.636 ( 6.305 -0.451 -12.434) 13.949 11.244 ( 0.071 4.716 -5.217) 7.033 11.857 ( -6.660 11.766 -2.770) 13.801 14.054 ( -2.680 -9.088 -13.662) 16.625 15.136 ( 17.720 4.740 -15.438) 23.975 16.343 ( -8.116 -13.134 34.586) 37.875 18.975 ( -4.027 7.446 2.915) 8.953 19.691 ( -0.719 0.425 -0.956) 1.269 21.226 ( 8.433 -0.456 -4.316) 9.484 21.527 ( -6.495 -3.761 0.079) 7.505======================= Grid point 334 (59/261) =======================q-point: (-0.47 0.06 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.204 ( -8.661 -18.708 -24.994) 32.399 5.790 ( -6.558 -0.665 -12.575) 14.198 6.481 ( -5.608 -0.194 -4.446) 7.160 7.270 ( -12.811 16.298 13.173) 24.562 9.277 ( 10.149 12.915 31.394) 35.432 10.708 ( 2.756 -2.285 -7.143) 7.990 11.084 ( -16.899 -4.244 -2.080) 17.547 11.763 ( -15.099 7.504 -2.292) 17.016 13.968 ( -1.524 -9.250 -12.343) 15.500 15.192 ( -6.923 -9.893 -13.531) 18.135 16.112 ( -3.259 -7.789 28.907) 30.115 19.001 ( -1.892 8.106 2.975) 8.840 19.672 ( -2.068 0.756 -1.342) 2.578 21.038 ( -11.105 -10.072 0.139) 14.993 21.797 ( 20.877 9.452 -4.588) 23.372======================= Grid point 335 (60/261) =======================q-point: (-0.41 0.06 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.814 ( -13.006 -21.646 -22.141) 33.584 5.661 ( -14.051 6.917 -28.276) 32.323 6.348 ( -10.430 5.658 -12.185) 17.008 7.224 ( -5.856 5.798 22.459) 23.923 9.572 ( 9.407 8.110 29.728) 32.218 10.519 ( -19.330 -10.963 -1.748) 22.291 10.825 ( -3.578 -1.159 4.651) 5.982 11.493 ( -22.260 4.197 -1.463) 22.699 13.538 ( -30.434 -25.990 3.588) 40.182 15.024 ( 0.055 -3.523 -25.469) 25.711 15.997 ( -3.691 -5.778 23.371) 24.356 19.069 ( 0.177 8.078 2.787) 8.547 19.636 ( -3.312 1.519 -1.642) 3.996 20.777 ( -8.278 -7.563 0.834) 11.244 22.283 ( 23.335 8.533 -5.790) 25.512======================= Grid point 336 (61/261) =======================q-point: (-0.35 0.06 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.312 ( -18.815 -23.057 -17.739) 34.645 5.358 ( -35.169 16.532 -38.040) 54.380 6.308 ( 1.982 1.897 -13.867) 14.135 7.168 ( -4.388 0.712 23.208) 23.630 9.515 ( -23.005 -8.196 9.729) 26.289 10.256 ( 4.704 -2.602 17.945) 18.733 10.728 ( -7.433 -5.926 17.494) 19.910 11.095 ( -26.490 2.785 0.294) 26.638 12.577 ( -40.738 -27.863 4.290) 49.541 14.933 ( -10.813 -6.507 -24.511) 27.569 15.951 ( 5.479 -0.463 16.165) 17.075 19.163 ( 1.292 7.584 2.585) 8.116 19.590 ( -3.655 1.547 -1.745) 4.335 20.588 ( -6.355 -5.796 1.938) 8.817 22.759 ( 22.146 6.719 -8.066) 24.508======================= Grid point 337 (62/261) =======================q-point: (-0.29 0.06 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.697 ( -25.860 -21.325 -10.473) 35.116 4.788 ( -50.858 20.751 -35.693) 65.506 6.416 ( 9.450 -3.207 -17.714) 20.332 7.087 ( -5.000 -0.530 18.555) 19.224 8.791 ( -42.774 -16.320 6.576) 46.251 10.171 ( -21.092 -19.834 24.948) 38.218 10.461 ( -10.592 -5.976 13.036) 17.829 10.721 ( -13.128 4.931 15.668) 21.027 11.836 ( -18.287 -9.330 -2.615) 20.696 14.536 ( -21.305 -8.991 -11.444) 25.801 16.158 ( 13.767 3.440 3.743) 14.676 19.259 ( 1.360 6.736 2.556) 7.331 19.543 ( -2.747 0.193 -1.763) 3.270 20.417 ( -7.733 -4.666 3.708) 9.764 23.176 ( 18.815 4.650 -12.572) 23.101======================= Grid point 338 (63/261) =======================q-point: (-0.24 0.06 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.001 ( -33.050 -13.440 1.397) 35.706 4.035 ( -59.751 22.645 -28.278) 69.875 6.512 ( 7.713 -10.411 -18.283) 22.409 6.928 ( -14.652 -10.977 13.899) 22.986 7.731 ( -54.129 -13.089 12.838) 57.150 9.512 ( -20.880 -18.157 18.689) 33.390 10.079 ( -24.530 0.200 0.450) 24.534 10.666 ( -4.051 -3.816 24.319) 24.948 11.661 ( -2.050 1.465 5.783) 6.308 14.159 ( -11.458 -3.372 -2.973) 12.309 16.439 ( 13.874 3.070 -0.300) 14.212 19.342 ( 0.704 5.928 2.667) 6.538 19.498 ( -1.052 -2.553 -1.819) 3.306 20.212 ( -11.270 -3.331 5.261) 12.876 23.494 ( 13.073 2.270 -20.735) 24.617======================= Grid point 339 (64/261) =======================q-point: (-0.18 0.06 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.329 ( -37.964 6.783 19.563) 43.243 3.189 ( -63.885 24.823 -17.132) 70.647 5.780 ( -73.160 -37.729 29.780) 87.537 6.496 ( 4.290 -19.048 -16.979) 25.875 7.211 ( -16.006 11.866 -9.315) 21.995 9.205 ( 0.616 -8.833 13.752) 16.356 9.703 ( -20.533 5.765 4.790) 21.858 10.430 ( -15.008 -5.424 25.616) 30.180 11.698 ( 2.713 3.096 18.233) 18.692 14.123 ( 7.620 2.022 5.653) 9.701 16.690 ( 12.122 1.591 0.739) 12.249 19.397 ( -0.764 3.743 1.594) 4.140 19.457 ( 1.095 -4.385 -0.824) 4.594 19.963 ( -14.411 -1.036 5.508) 15.463 23.647 ( 2.164 -0.573 -35.918) 35.988======================= Grid point 344 (65/261) =======================q-point: ( 0.12 0.12 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.116 ( 37.613 16.492 29.653) 50.656 4.611 ( 57.790 38.783 -24.613) 73.821 6.273 ( -11.315 4.054 -18.298) 21.893 6.537 ( 2.992 47.546 14.124) 49.689 7.683 ( 19.984 27.242 6.429) 34.392 9.180 ( -7.550 15.884 2.282) 17.735 10.161 ( 17.211 17.717 5.087) 25.219 10.573 ( -0.551 6.788 24.267) 25.205 11.726 ( 4.931 -0.516 11.258) 12.301 14.150 ( 6.805 7.176 0.491) 9.902 16.459 ( -8.161 -12.076 -1.514) 14.654 19.395 ( -5.250 3.971 -1.374) 6.725 19.469 ( 5.146 -1.011 1.122) 5.363 20.203 ( 8.140 8.843 7.517) 14.176 23.507 ( -6.751 -10.655 -22.930) 26.170======================= Grid point 345 (66/261) =======================q-point: ( 0.18 0.12 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.924 ( 40.577 6.918 30.467) 51.211 5.792 ( 28.215 18.266 -27.477) 43.414 6.276 ( 12.952 19.842 -12.365) 26.727 6.817 ( -3.853 15.016 10.929) 18.968 8.485 ( 28.749 41.004 5.774) 50.410 9.205 ( -12.665 20.874 -9.339) 26.141 10.467 ( 0.834 -3.120 21.802) 22.040 10.726 ( 10.719 23.871 6.371) 26.931 11.884 ( 12.012 4.154 7.884) 14.956 14.498 ( 18.295 15.367 -2.259) 23.999 16.171 ( -10.267 -12.339 -0.846) 16.074 19.345 ( -5.433 4.292 -0.539) 6.945 19.556 ( 3.727 2.769 -0.149) 4.646 20.411 ( 8.301 3.552 8.619) 12.482 23.220 ( -10.548 -15.483 -14.900) 23.938======================= Grid point 346 (67/261) =======================q-point: ( 0.24 0.12 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.647 ( 38.147 -0.288 29.368) 48.143 5.910 ( -0.931 -5.456 -25.178) 25.780 6.731 ( -2.692 -4.764 1.778) 5.754 7.209 ( 23.382 51.547 8.878) 57.294 9.109 ( -21.105 18.125 -17.123) 32.667 9.354 ( 28.603 26.108 -6.358) 39.245 10.444 ( 2.141 1.176 19.674) 19.825 11.195 ( 10.828 27.522 1.595) 29.618 12.268 ( 24.258 11.151 7.047) 27.612 14.977 ( 17.183 8.331 -9.712) 21.424 15.902 ( -5.354 -7.810 8.261) 12.566 19.289 ( -6.359 5.124 0.319) 8.173 19.648 ( 1.616 5.635 -0.593) 5.892 20.563 ( 7.628 -0.653 7.800) 10.929 22.845 ( -12.826 -17.845 -9.617) 23.989======================= Grid point 347 (68/261) =======================q-point: ( 0.29 0.12 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.240 ( 32.619 -4.633 25.995) 41.966 5.814 ( -1.142 -9.210 -22.095) 23.965 6.551 ( -9.073 -7.355 11.115) 16.123 8.034 ( 7.915 51.649 13.974) 54.088 8.879 ( -20.495 13.510 -20.246) 31.820 9.948 ( 19.979 8.543 -12.827) 25.232 10.606 ( 9.033 10.760 6.627) 15.534 11.628 ( 6.524 27.704 -0.256) 28.463 12.947 ( 36.623 15.139 5.615) 40.025 15.029 ( -7.983 -11.610 -21.030) 25.314 15.998 ( 16.157 3.230 23.115) 28.387 19.230 ( -7.021 6.588 1.151) 9.697 19.714 ( -0.958 5.832 -0.561) 5.937 20.679 ( 7.738 -1.632 4.732) 9.216 22.428 ( -14.007 -18.087 -5.706) 23.577======================= Grid point 348 (69/261) =======================q-point: ( 0.35 0.12 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.603 ( 5.274 -8.543 -12.768) 16.242 5.775 ( 18.662 -9.121 14.909) 25.568 6.297 ( -9.881 -9.009 13.586) 19.062 8.347 ( -26.520 39.442 -3.912) 47.689 8.860 ( 0.727 21.744 6.926) 22.832 10.278 ( 14.647 -0.201 -17.339) 22.699 10.935 ( 12.360 15.391 -3.723) 20.088 11.963 ( 0.616 25.700 -1.337) 25.742 13.725 ( 33.862 7.068 3.472) 34.765 14.712 ( -8.554 -10.388 -22.005) 25.793 16.276 ( 12.485 -5.160 27.400) 30.550 19.187 ( -6.849 9.259 1.783) 11.654 19.728 ( -2.439 3.207 -0.666) 4.084 20.822 ( 9.893 0.356 0.453) 9.910 22.006 ( -14.280 -15.971 -2.634) 21.585======================= Grid point 349 (70/261) =======================q-point: ( 0.41 0.12 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.450 ( -5.423 -11.932 -20.890) 24.661 6.012 ( -3.443 -5.248 4.931) 7.982 6.121 ( 15.852 -9.858 26.588) 32.487 8.171 ( -30.911 32.325 -15.812) 47.439 9.114 ( -0.117 22.589 23.351) 32.489 10.481 ( 10.264 -2.076 -15.115) 18.388 11.273 ( 6.707 13.418 -7.901) 16.955 12.152 ( -6.804 21.992 -1.494) 23.069 13.961 ( 0.904 -14.793 -8.508) 17.089 14.828 ( 21.042 5.486 -14.901) 26.361 16.270 ( -0.452 -16.028 31.486) 35.334 19.177 ( -6.885 12.202 2.315) 14.200 19.711 ( -1.300 0.896 -0.986) 1.861 21.027 ( 12.303 -0.445 -2.878) 12.643 21.635 ( -11.798 -9.587 -0.609) 15.215======================= Grid point 350 (71/261) =======================q-point: (-0.53 0.12 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.199 ( -9.167 -12.622 -17.750) 23.631 5.842 ( -4.665 -5.602 0.059) 7.291 6.350 ( 13.994 -4.849 17.214) 22.709 7.952 ( -31.073 31.127 -14.914) 46.442 9.315 ( 1.823 15.863 24.540) 29.277 10.601 ( 6.300 -2.790 -9.377) 11.636 11.337 ( -11.258 4.830 -5.569) 13.457 12.161 ( -15.109 17.481 -0.699) 23.116 13.831 ( 3.193 -13.368 -14.695) 20.121 15.120 ( 5.849 -6.369 -11.528) 14.411 16.046 ( -2.051 -14.743 31.146) 34.520 19.183 ( -6.656 12.361 2.594) 14.277 19.710 ( -0.511 1.898 -1.026) 2.217 21.067 ( -3.628 -12.304 -1.446) 12.909 21.582 ( 10.943 5.968 -2.653) 12.744======================= Grid point 351 (72/261) =======================q-point: (-0.47 0.12 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.874 ( -13.672 -12.498 -13.312) 22.811 5.759 ( -0.230 -2.477 -10.404) 10.697 6.489 ( 4.386 0.146 6.730) 8.034 7.707 ( -30.525 26.660 -8.273) 41.364 9.513 ( 6.331 9.209 22.554) 25.171 10.613 ( -1.857 -7.220 -3.786) 8.361 11.039 ( -20.770 0.439 -0.465) 20.780 11.980 ( -22.845 12.859 0.371) 26.218 13.656 ( -10.956 -21.687 -3.973) 24.620 14.977 ( -2.467 -9.530 -16.173) 18.934 15.959 ( 1.057 -7.337 23.357) 24.505 19.202 ( -4.179 10.636 2.520) 11.702 19.719 ( -2.481 4.441 -1.097) 5.204 20.826 ( -7.565 -10.862 0.255) 13.240 21.956 ( 21.598 6.103 -4.590) 22.908======================= Grid point 352 (73/261) =======================q-point: (-0.41 0.12 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.474 ( -18.840 -10.588 -7.354) 22.829 5.764 ( -0.472 2.539 -23.030) 23.175 6.494 ( -8.304 7.284 -6.307) 12.720 7.434 ( -24.609 15.939 4.603) 29.679 9.673 ( 1.471 1.131 14.674) 14.791 10.304 ( -16.629 -10.386 2.525) 19.768 10.806 ( -8.174 -1.255 10.117) 13.067 11.639 ( -28.269 8.832 1.792) 29.671 12.954 ( -34.511 -29.035 6.445) 45.558 14.964 ( 2.137 -2.442 -26.721) 26.917 15.881 ( -0.511 -5.221 21.305) 21.942 19.253 ( -1.462 9.000 2.249) 9.392 19.701 ( -5.244 4.872 -1.250) 7.267 20.620 ( -5.196 -7.826 1.589) 9.527 22.408 ( 23.730 4.078 -6.205) 24.864======================= Grid point 353 (74/261) =======================q-point: (-0.35 0.12 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.012 ( -24.680 -5.159 1.209) 25.243 5.711 ( -19.400 14.909 -36.776) 44.172 6.374 ( -10.961 6.725 -12.298) 17.793 7.202 ( -12.144 2.379 15.733) 20.017 9.337 ( -32.624 -8.454 -0.968) 33.716 10.139 ( 2.293 -11.521 15.124) 19.150 10.564 ( -13.201 -9.317 23.498) 28.517 11.199 ( -29.616 5.616 4.682) 30.506 12.128 ( -28.248 -14.085 1.855) 31.620 14.812 ( -16.255 -4.161 -16.802) 23.746 15.945 ( 11.418 -0.438 9.681) 14.976 19.323 ( -0.001 7.074 1.936) 7.334 19.634 ( -6.450 2.296 -1.406) 6.989 20.479 ( -4.497 -4.201 3.738) 7.200 22.847 ( 22.548 2.298 -9.193) 24.458======================= Grid point 354 (75/261) =======================q-point: (-0.29 0.12 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.530 ( -30.330 5.949 13.642) 33.785 5.311 ( -50.352 28.591 -36.957) 68.692 6.313 ( 1.929 -5.192 -13.763) 14.836 7.029 ( -7.847 -6.905 14.115) 17.564 8.529 ( -49.007 -8.557 5.461) 50.048 9.692 ( -22.850 -25.664 12.197) 36.463 10.422 ( -5.471 1.216 15.400) 16.388 10.769 ( -19.599 -0.479 12.750) 23.386 11.771 ( -9.107 2.118 3.260) 9.902 14.426 ( -21.091 -1.220 -5.962) 21.951 16.196 ( 15.571 0.317 0.594) 15.585 19.388 ( 0.837 4.091 1.550) 4.454 19.533 ( -5.635 -0.792 -1.402) 5.860 20.357 ( -7.325 -0.478 6.071) 9.525 23.227 ( 18.933 0.789 -14.395) 23.797======================= Grid point 362 (76/261) =======================q-point: ( 0.18 0.18 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.130 ( 26.748 12.963 18.906) 35.226 5.875 ( 1.399 -3.187 -26.752) 26.978 6.597 ( 17.296 5.656 -11.850) 21.716 7.245 ( 18.243 29.189 9.366) 35.672 9.224 ( 15.767 29.938 -8.769) 34.954 9.719 ( -18.634 24.385 7.398) 31.569 10.446 ( 0.679 5.415 21.713) 22.388 11.257 ( 15.178 27.422 3.924) 31.587 12.048 ( 14.041 14.118 5.167) 20.571 14.810 ( 13.042 13.528 -10.737) 21.642 15.928 ( -7.689 -10.740 6.350) 14.656 19.393 ( -0.909 0.541 0.823) 1.340 19.662 ( 4.486 7.246 -1.114) 8.595 20.456 ( 3.676 1.385 6.392) 7.503 22.866 ( -11.264 -19.343 -9.859) 24.459======================= Grid point 363 (77/261) =======================q-point: ( 0.24 0.18 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.702 ( 27.872 5.492 20.987) 35.319 5.775 ( -3.518 -7.249 -19.930) 21.497 6.608 ( -5.707 -7.213 8.956) 12.838 8.159 ( 32.135 41.792 -5.223) 52.977 9.392 ( -17.691 9.700 -14.858) 25.056 9.825 ( 5.312 19.405 2.808) 20.314 10.610 ( 5.382 16.068 8.306) 18.871 11.779 ( 11.014 29.519 1.844) 31.560 12.551 ( 25.130 17.186 8.052) 31.492 14.997 ( 0.151 -6.627 -20.811) 21.841 15.824 ( 5.082 -0.052 19.559) 20.208 19.376 ( -3.006 3.242 1.042) 4.542 19.801 ( 0.927 9.239 -1.343) 9.382 20.529 ( 5.822 -2.291 5.315) 8.209 22.462 ( -12.089 -19.737 -6.481) 24.036======================= Grid point 364 (78/261) =======================q-point: ( 0.29 0.18 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.204 ( 25.795 0.826 20.336) 32.857 5.634 ( -3.597 -7.884 -14.911) 17.246 6.379 ( -9.772 -9.419 13.780) 19.342 9.012 ( 15.339 38.250 4.770) 41.486 9.151 ( -22.801 19.300 -14.701) 33.294 10.041 ( 8.737 1.281 -9.141) 12.710 10.929 ( 8.788 20.955 -4.863) 23.238 12.212 ( 4.194 29.317 0.404) 29.618 13.213 ( 32.036 10.132 7.549) 34.437 14.761 ( -9.997 -13.106 -20.470) 26.282 16.001 ( 12.112 -3.931 23.672) 26.880 19.366 ( -3.388 6.614 1.204) 7.529 19.852 ( -5.155 7.773 -1.249) 9.410 20.636 ( 9.681 -2.792 2.593) 10.404 22.064 ( -11.757 -17.255 -3.815) 21.225======================= Grid point 365 (79/261) =======================q-point: ( 0.35 0.18 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.445 ( -3.826 -6.250 -13.283) 15.170 5.660 ( 21.519 -2.789 22.061) 30.944 6.107 ( -9.739 -9.770 12.781) 18.806 8.938 ( -21.664 19.986 -17.132) 34.092 9.467 ( -8.297 35.784 17.114) 40.525 10.233 ( 14.976 -3.188 -17.770) 23.457 11.303 ( 8.703 20.750 -10.883) 24.995 12.499 ( -3.799 26.466 -0.402) 26.740 13.681 ( 15.512 -11.774 -0.229) 19.476 14.607 ( 6.542 0.710 -14.787) 16.185 16.059 ( 5.025 -16.078 26.950) 31.781 19.404 ( -3.056 11.938 1.252) 12.386 19.791 ( -7.083 3.097 -1.247) 7.830 20.798 ( 11.743 -3.710 -0.289) 12.318 21.724 ( -10.164 -10.950 -1.886) 15.059======================= Grid point 366 (80/261) =======================q-point: ( 0.41 0.18 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.265 ( -8.736 -5.727 -10.350) 14.706 5.865 ( -6.209 -9.013 9.405) 14.431 6.004 ( 19.284 -2.570 19.712) 27.696 8.775 ( -24.836 27.148 -19.862) 41.813 9.555 ( -10.147 19.155 15.678) 26.752 10.442 ( 9.483 -0.453 -11.582) 14.976 11.562 ( -2.951 15.073 -10.111) 18.389 12.605 ( -12.012 21.759 0.221) 24.855 13.608 ( 3.317 -19.413 -12.381) 23.263 14.896 ( 14.805 0.903 -7.442) 16.595 15.887 ( -0.157 -20.405 29.150) 35.582 19.458 ( -8.177 14.616 1.716) 16.835 19.730 ( -0.413 1.524 -1.322) 2.059 20.909 ( 6.871 -10.950 -1.552) 13.020 21.546 ( -1.593 0.216 -1.506) 2.203======================= Grid point 368 (81/261) =======================q-point: (-0.53 0.18 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.027 ( -13.004 -4.020 -5.432) 14.655 5.720 ( -1.184 -6.166 -0.106) 6.280 6.279 ( 15.178 -2.602 17.520) 23.326 8.590 ( -31.145 31.444 -21.086) 49.025 9.566 ( -3.356 8.170 12.126) 15.001 10.531 ( 2.969 -4.343 -4.333) 6.816 11.448 ( -20.733 6.002 -5.804) 22.351 12.513 ( -20.517 16.245 1.992) 26.245 13.513 ( 3.508 -17.655 -10.917) 21.052 14.917 ( -2.996 -11.920 -6.764) 14.029 15.804 ( 7.434 -8.628 23.655) 26.253 19.412 ( -8.421 8.507 1.624) 12.080 19.802 ( 0.628 8.397 -0.753) 8.454 20.799 ( -2.834 -13.791 -0.443) 14.086 21.694 ( 13.591 4.578 -3.077) 14.668======================= Grid point 369 (82/261) =======================q-point: (-0.47 0.18 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.737 ( -17.328 -0.717 0.833) 17.363 5.700 ( 3.923 -3.074 -10.378) 11.513 6.479 ( 9.838 -1.146 12.592) 16.020 8.296 ( -38.903 30.316 -19.107) 52.892 9.612 ( 3.224 0.301 8.473) 9.071 10.422 ( -7.443 -11.578 0.818) 13.788 11.081 ( -22.419 1.855 -0.317) 22.498 12.226 ( -27.259 10.170 2.981) 29.247 13.177 ( -20.374 -22.156 4.022) 30.367 14.841 ( 6.685 -4.126 -19.742) 21.247 15.835 ( 1.461 -4.164 21.034) 21.492 19.376 ( -3.798 5.713 1.616) 7.048 19.862 ( -4.757 9.088 -0.859) 10.294 20.609 ( -3.723 -10.136 1.183) 10.863 22.044 ( 21.128 2.772 -4.541) 21.788======================= Grid point 370 (83/261) =======================q-point: (-0.41 0.18 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.422 ( -21.273 5.803 8.746) 23.721 5.778 ( 6.258 -0.386 -19.530) 20.511 6.597 ( 2.633 2.683 4.127) 5.582 7.836 ( -43.643 21.523 -10.655) 49.815 9.616 ( -4.027 -6.139 -2.546) 7.770 10.079 ( -12.933 -13.181 7.673) 19.997 10.731 ( -16.625 -6.653 11.007) 21.020 11.788 ( -30.975 4.524 3.795) 31.533 12.515 ( -30.184 -11.176 6.945) 32.928 14.943 ( 1.351 0.886 -23.142) 23.198 15.805 ( 1.729 -1.898 18.778) 18.953 19.385 ( -0.898 3.339 1.432) 3.743 19.805 ( -8.951 3.868 -1.260) 9.832 20.494 ( -1.744 -3.312 3.642) 5.223 22.457 ( 23.490 1.132 -6.545) 24.411======================= Grid point 381 (84/261) =======================q-point: ( 0.24 0.24 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.852 ( 19.181 9.036 13.397) 25.080 5.648 ( -4.886 -4.739 -12.329) 14.083 6.442 ( -8.240 -9.310 14.059) 18.768 8.843 ( 38.832 25.014 -16.348) 48.999 9.527 ( -7.268 5.324 -6.899) 11.348 10.152 ( -8.386 14.036 4.954) 17.085 11.038 ( 7.108 24.413 -4.326) 25.792 12.340 ( 14.470 25.333 3.474) 29.380 12.936 ( 12.688 19.219 8.105) 24.414 14.793 ( -7.607 -10.497 -20.170) 23.977 15.827 ( 3.727 -1.681 21.196) 21.587 19.429 ( 1.209 2.535 1.098) 3.015 19.981 ( 3.175 7.147 -1.951) 8.061 20.492 ( 1.280 -0.500 3.320) 3.593 22.075 ( -9.940 -18.149 -4.388) 21.153======================= Grid point 382 (85/261) =======================q-point: ( 0.29 0.24 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.261 ( 19.491 4.490 15.400) 25.243 5.520 ( -5.111 -3.103 -5.815) 8.340 6.175 ( -9.892 -10.874 15.057) 21.043 9.296 ( -4.649 8.649 -5.007) 11.022 9.836 ( 24.429 19.959 -23.175) 39.143 10.084 ( -13.327 13.116 5.331) 19.444 11.413 ( 6.024 26.042 -12.924) 29.690 12.768 ( 4.411 24.955 1.808) 25.406 13.283 ( 15.969 -4.931 3.546) 17.085 14.593 ( -4.193 -1.300 -11.450) 12.263 15.822 ( 3.278 -13.745 22.357) 26.448 19.499 ( 1.989 7.043 0.399) 7.329 20.004 ( -8.520 6.291 -2.171) 10.811 20.558 ( 9.014 -4.983 2.137) 10.519 21.767 ( -7.700 -11.599 -2.697) 14.181======================= Grid point 383 (86/261) =======================q-point: ( 0.35 0.24 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.380 ( -7.425 0.054 -3.433) 8.180 5.637 ( 18.624 -0.040 20.336) 27.575 5.907 ( -7.755 -10.010 10.823) 16.658 9.272 ( -9.838 14.720 -10.020) 20.344 9.932 ( -8.756 0.726 -1.650) 8.940 10.360 ( 5.542 22.952 -12.840) 26.878 11.753 ( 2.654 23.498 -14.746) 27.868 12.966 ( -5.485 16.151 -2.921) 17.305 13.331 ( 5.520 -18.353 -3.559) 19.493 14.702 ( 10.208 7.573 -1.481) 12.796 15.660 ( 0.440 -22.333 24.323) 33.024 19.649 ( 4.085 11.905 -0.272) 12.589 19.851 ( -12.839 2.759 -1.518) 13.219 20.655 ( 9.197 -9.902 0.654) 13.530 21.588 ( -3.952 -3.017 -1.797) 5.287======================= Grid point 384 (87/261) =======================q-point: (-0.59 0.24 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.232 ( -11.018 2.507 1.366) 11.382 5.685 ( -3.207 -8.559 7.977) 12.132 5.970 ( 16.937 -1.319 16.621) 23.767 9.247 ( -13.235 19.077 -13.071) 26.645 9.788 ( -10.095 3.659 -4.544) 11.660 10.513 ( -4.026 6.695 -7.032) 10.511 11.852 ( -14.858 12.027 -11.670) 22.397 12.962 ( -9.594 10.986 -0.398) 14.591 13.237 ( 4.686 -13.810 -9.538) 17.425 14.855 ( -0.713 -5.165 1.419) 5.404 15.539 ( 10.705 -11.580 22.906) 27.810 19.650 ( -11.884 2.496 -0.264) 12.146 19.863 ( 4.583 12.754 -0.990) 13.589 20.648 ( 3.502 -13.444 0.308) 13.896 21.582 ( 3.877 2.129 -2.025) 4.864======================= Grid point 385 (88/261) =======================q-point: (-0.53 0.24 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.047 ( -14.853 6.022 6.961) 17.473 5.604 ( 2.096 -5.164 -2.618) 6.157 6.231 ( 15.002 -2.460 16.689) 22.575 9.161 ( -22.307 22.505 -16.056) 35.523 9.650 ( -9.265 2.359 -7.004) 11.852 10.399 ( -5.750 -9.998 0.936) 11.571 11.525 ( -25.609 -0.592 -9.757) 27.411 12.768 ( -23.762 8.213 5.191) 25.672 13.205 ( -0.647 -9.323 -3.431) 9.956 14.707 ( -0.034 -8.208 -7.414) 11.060 15.716 ( 10.490 0.312 20.177) 22.743 19.503 ( -7.005 1.475 0.534) 7.179 20.021 ( -1.200 9.823 -1.528) 10.013 20.542 ( -0.458 -9.755 1.456) 9.874 21.758 ( 13.655 1.792 -3.023) 14.100======================= Grid point 399 (89/261) =======================q-point: ( 0.29 0.29 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.364 ( 14.792 4.990 11.823) 19.583 5.523 ( -6.490 3.799 3.337) 8.227 5.941 ( -8.942 -12.336 14.463) 21.007 9.459 ( 3.319 7.415 -5.169) 9.629 9.848 ( 4.903 -4.865 -13.111) 14.819 10.569 ( 6.618 20.849 -10.097) 24.092 11.931 ( 7.567 23.999 -16.029) 29.835 13.013 ( -5.711 -17.571 -11.310) 21.662 13.189 ( 9.648 14.475 7.068) 18.777 14.720 ( -0.018 11.862 4.325) 12.626 15.478 ( -5.416 -18.937 19.921) 28.014 19.662 ( 5.263 9.209 -0.947) 10.649 20.045 ( -2.989 -3.632 -3.045) 5.604 20.470 ( -0.540 -2.296 2.970) 3.793 21.607 ( -2.435 -4.553 -2.047) 5.554======================= Grid point 400 (90/261) =======================q-point: ( 0.35 0.29 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.448 ( -7.943 6.396 8.559) 13.314 5.631 ( 5.844 -2.549 15.345) 16.617 5.720 ( 3.345 -6.614 8.034) 10.931 9.545 ( -5.936 11.760 -7.249) 15.036 9.799 ( 2.916 -8.897 -7.810) 12.193 10.782 ( -6.550 12.770 -15.701) 21.272 12.219 ( -8.420 20.985 -16.135) 27.778 12.766 ( 9.231 -21.533 -16.098) 28.426 13.352 ( -4.682 7.555 7.725) 11.776 14.887 ( -1.200 9.744 9.850) 13.907 15.232 ( 6.090 -17.337 19.082) 26.491 19.832 ( -2.719 4.226 -2.533) 5.628 19.914 ( -1.677 3.871 -2.106) 4.715 20.461 ( 3.881 -7.126 3.076) 8.678 21.565 ( 0.016 -0.109 -1.778) 1.782======================= Grid point 614 (91/261) =======================q-point: ( 0.00 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 261Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.041 ( 0.000 0.000 49.983) 49.983 2.041 ( 0.000 -0.000 49.983) 49.983 3.334 ( -0.000 0.000 83.416) 83.416 6.136 ( -0.000 0.000 -22.189) 22.189 6.136 ( 0.000 -0.000 -22.189) 22.189 9.279 ( 0.000 0.000 7.025) 7.025 9.279 ( 0.000 -0.000 7.025) 7.025 10.360 ( 0.000 0.000 -46.879) 46.879 13.054 ( 0.000 0.000 12.053) 12.053 17.064 ( 0.000 -0.000 4.538) 4.538 18.468 ( 0.000 0.000 3.968) 3.968 19.323 ( 0.000 0.000 -1.922) 1.922 19.323 ( -0.000 -0.000 -1.922) 1.922 19.549 ( 0.000 0.000 1.438) 1.438 19.549 ( 0.000 -0.000 1.438) 1.438======================= Grid point 615 (92/261) =======================q-point: ( 0.06 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.990 ( 30.315 17.502 32.726) 47.920 2.909 ( 40.512 23.390 44.847) 64.804 3.671 ( 26.343 15.209 74.019) 80.026 5.836 ( -11.639 -6.720 -26.133) 29.387 6.550 ( 20.410 11.784 -18.674) 30.070 9.198 ( -3.843 -2.219 1.328) 4.632 9.468 ( 10.495 6.059 6.445) 13.726 10.336 ( 1.012 0.584 -32.569) 32.590 12.895 ( -12.441 -7.183 20.045) 24.661 16.137 ( -70.836 -40.897 36.079) 89.399 17.311 ( -23.515 -13.576 18.006) 32.580 19.271 ( -2.138 -1.234 -1.654) 2.972 19.556 ( 0.022 0.013 0.904) 0.904 19.578 ( 14.141 8.165 4.957) 17.065 21.290 ( 73.995 42.721 -50.951) 99.481======================= Grid point 616 (93/261) =======================q-point: ( 0.12 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.042 ( 51.987 30.014 5.251) 60.258 3.861 ( 40.621 23.452 40.537) 61.994 4.504 ( 44.068 25.443 54.955) 74.896 5.607 ( -7.931 -4.579 -28.050) 29.507 7.032 ( 20.432 11.796 -15.289) 28.113 9.012 ( -11.436 -6.603 -7.198) 15.040 9.751 ( 13.616 7.861 5.238) 16.573 10.536 ( 15.740 9.088 -5.320) 18.938 12.561 ( -14.526 -8.387 29.269) 33.735 14.859 ( -36.557 -21.106 37.222) 56.279 16.884 ( -16.814 -9.708 2.170) 19.537 19.227 ( -1.630 -0.941 -1.211) 2.239 19.551 ( -0.431 -0.249 0.255) 0.559 19.974 ( 18.458 10.657 11.189) 24.072 22.483 ( 31.382 18.118 -53.058) 64.251======================= Grid point 617 (94/261) =======================q-point: ( 0.18 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.239 ( 50.346 29.067 -1.751) 58.161 4.767 ( 36.939 21.327 36.403) 56.076 5.470 ( -3.956 -2.284 -27.860) 28.232 5.586 ( 44.479 25.680 27.046) 58.046 7.505 ( 21.311 12.304 -12.621) 27.656 8.765 ( -8.033 -4.638 -1.451) 9.388 10.090 ( 15.427 8.907 3.740) 18.202 10.927 ( 14.316 8.265 10.915) 19.809 12.276 ( -9.246 -5.338 25.107) 27.283 14.375 ( -6.139 -3.544 20.252) 21.457 16.509 ( -15.332 -8.852 -5.574) 18.561 19.194 ( -1.245 -0.719 -0.558) 1.543 19.540 ( -0.371 -0.214 -0.347) 0.552 20.385 ( 16.212 9.360 14.910) 23.932 22.901 ( 7.312 4.222 -39.842) 40.727======================= Grid point 618 (95/261) =======================q-point: ( 0.24 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.380 ( 47.909 27.660 -2.754) 55.388 5.387 ( 0.712 0.411 -31.634) 31.645 5.589 ( 29.466 17.012 37.373) 50.541 6.342 ( 18.076 10.436 2.543) 21.027 8.041 ( 20.512 11.843 -29.464) 37.804 8.725 ( 8.659 5.000 26.405) 28.235 10.460 ( 16.268 9.393 1.975) 18.889 11.092 ( -0.394 -0.228 23.254) 23.259 12.181 ( 2.586 1.493 12.485) 12.837 14.520 ( 15.911 9.186 7.426) 19.816 16.187 ( -11.580 -6.686 -6.891) 15.043 19.164 ( -1.540 -0.889 0.390) 1.821 19.540 ( 0.476 0.275 -0.839) 1.003 20.702 ( 10.678 6.165 15.553) 19.847 22.914 ( -4.824 -2.785 -27.927) 28.477======================= Grid point 619 (96/261) =======================q-point: ( 0.29 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.371 ( -0.906 -0.523 -31.490) 31.507 6.247 ( 25.567 14.761 35.071) 45.843 6.432 ( 34.165 19.725 -22.102) 45.220 6.508 ( 6.750 3.897 11.043) 13.517 8.201 ( -2.713 -1.566 -19.832) 20.078 9.250 ( 28.503 16.456 18.332) 37.674 10.837 ( 15.951 9.209 -0.088) 18.419 10.982 ( -6.759 -3.902 26.520) 27.644 12.450 ( 21.070 12.165 4.693) 24.778 14.878 ( 8.013 4.626 -7.211) 11.730 16.079 ( 6.300 3.637 3.632) 8.130 19.119 ( -2.249 -1.299 1.586) 3.043 19.564 ( 1.590 0.918 -1.170) 2.178 20.874 ( 4.206 2.429 13.253) 14.115 22.720 ( -11.231 -6.484 -18.818) 22.854======================= Grid point 620 (97/261) =======================q-point: ( 0.35 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.340 ( -1.962 -1.133 -30.435) 30.519 6.352 ( -8.954 -5.170 -17.814) 20.598 6.769 ( 19.478 11.246 32.459) 39.490 7.238 ( 18.813 10.861 4.221) 22.129 8.175 ( 7.528 4.346 0.757) 8.725 9.799 ( 17.825 10.291 -2.477) 20.731 10.861 ( -2.566 -1.481 18.471) 18.707 11.188 ( 13.930 8.043 -2.312) 16.251 13.130 ( 35.490 20.490 4.523) 41.229 14.768 ( -14.240 -8.221 -18.551) 24.789 16.493 ( 24.191 13.966 16.448) 32.416 19.063 ( -2.502 -1.444 2.881) 4.080 19.608 ( 1.968 1.136 -1.366) 2.652 20.913 ( -0.198 -0.114 8.307) 8.310 22.415 ( -14.682 -8.477 -11.723) 20.612======================= Grid point 621 (98/261) =======================q-point: ( 0.41 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.273 ( -3.991 -2.304 -29.020) 29.384 6.107 ( -11.699 -6.755 -19.592) 23.798 7.156 ( 13.996 8.080 30.105) 34.169 7.229 ( -12.474 -7.202 8.867) 16.915 8.657 ( 27.033 15.608 12.978) 33.806 10.106 ( 9.618 5.553 -11.310) 15.851 10.890 ( 5.070 2.927 5.238) 7.856 11.467 ( 9.739 5.623 -4.317) 12.046 13.966 ( 30.854 17.813 3.247) 35.774 14.380 ( -13.919 -8.036 -20.694) 26.202 16.990 ( 15.652 9.037 23.288) 29.479 19.010 ( -1.898 -1.096 4.092) 4.642 19.647 ( 1.282 0.740 -1.555) 2.147 20.915 ( 1.738 1.003 1.772) 2.677 22.052 ( -16.332 -9.429 -6.328) 19.892======================= Grid point 622 (99/261) =======================q-point: ( 0.47 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.150 ( -6.636 -3.831 -27.225) 28.283 5.816 ( -13.360 -7.713 -20.266) 25.469 6.876 ( -16.111 -9.302 10.546) 21.385 7.426 ( 9.318 5.380 27.862) 29.868 9.234 ( 21.703 12.530 23.213) 34.160 10.290 ( 6.955 4.016 -15.144) 17.141 11.048 ( 6.448 3.723 -4.575) 8.739 11.624 ( 3.463 2.000 -5.581) 6.866 13.893 ( -14.141 -8.164 -19.868) 25.717 14.771 ( 24.301 14.030 -2.035) 28.134 17.141 ( -2.897 -1.673 29.113) 29.305 18.981 ( -0.513 -0.296 4.935) 4.971 19.662 ( -0.111 -0.064 -1.805) 1.810 21.044 ( 9.485 5.476 -3.909) 11.629 21.676 ( -15.180 -8.764 -2.384) 17.689======================= Grid point 623 (100/261) =======================q-point: (-0.47 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.959 ( -9.911 -5.722 -25.100) 27.586 5.486 ( -15.053 -8.691 -21.033) 27.286 6.523 ( -13.795 -7.964 8.188) 17.910 7.593 ( 5.057 2.920 25.583) 26.241 9.676 ( 16.967 9.796 29.242) 35.199 10.442 ( 5.905 3.409 -16.279) 17.649 11.080 ( -5.122 -2.957 -6.013) 8.434 11.618 ( -4.056 -2.342 -5.734) 7.404 13.702 ( -1.391 -0.803 -20.731) 20.793 15.091 ( 0.919 0.531 -5.791) 5.888 16.924 ( -13.065 -7.543 32.192) 35.551 18.989 ( 1.290 0.745 5.152) 5.363 19.642 ( -1.526 -0.881 -2.086) 2.731 21.168 ( -7.022 -4.054 -4.340) 9.197 21.539 ( 11.155 6.440 -2.052) 13.043======================= Grid point 624 (101/261) =======================q-point: (-0.41 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.683 ( -14.017 -8.093 -22.506) 27.722 5.114 ( -17.112 -9.879 -22.060) 29.615 6.251 ( -9.319 -5.380 3.406) 11.287 7.660 ( 0.735 0.424 23.034) 23.050 10.019 ( 10.236 5.910 27.499) 29.932 10.508 ( -2.238 -1.292 -15.173) 15.391 10.895 ( -4.821 -2.784 1.714) 5.825 11.437 ( -11.461 -6.617 -4.843) 14.093 13.739 ( -0.941 -0.543 -12.506) 12.553 14.808 ( -20.966 -12.105 -11.832) 26.947 16.634 ( -11.550 -6.668 28.182) 31.178 19.040 ( 2.959 1.709 4.737) 5.841 19.596 ( -2.304 -1.330 -2.330) 3.537 20.930 ( -9.729 -5.617 0.415) 11.242 21.953 ( 20.073 11.589 -6.067) 23.959======================= Grid point 625 (102/261) =======================q-point: (-0.35 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.301 ( -18.998 -10.968 -19.022) 29.035 4.688 ( -19.547 -11.286 -20.566) 30.536 6.098 ( -3.822 -2.206 -3.785) 5.813 7.626 ( -3.601 -2.079 19.867) 20.297 9.843 ( -23.443 -13.535 -1.948) 27.140 10.611 ( 12.998 7.504 17.029) 22.699 10.956 ( 6.771 3.909 8.941) 11.878 11.098 ( -17.383 -10.036 -3.372) 20.353 13.274 ( -40.593 -23.436 7.123) 47.411 14.507 ( -2.931 -1.692 -24.149) 24.385 16.373 ( -10.391 -5.999 19.101) 22.556 19.122 ( 4.002 2.310 3.969) 6.092 19.542 ( -2.178 -1.258 -2.493) 3.541 20.749 ( -6.105 -3.525 4.464) 8.344 22.403 ( 17.976 10.378 -9.910) 23.001======================= Grid point 626 (103/261) =======================q-point: (-0.29 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.797 ( -24.462 -14.123 -14.017) 31.533 4.210 ( -21.387 -12.348 -13.110) 27.960 6.067 ( 0.856 0.494 -13.022) 13.060 7.498 ( -7.287 -4.207 15.613) 17.736 9.196 ( -30.546 -17.636 -3.020) 35.400 10.649 ( -20.765 -11.989 -1.788) 24.044 10.866 ( 2.520 1.455 19.957) 20.168 11.121 ( 6.467 3.734 22.451) 23.660 12.190 ( -43.411 -25.064 5.862) 50.469 14.418 ( -7.695 -4.443 -14.480) 16.988 16.224 ( -0.981 -0.567 6.680) 6.775 19.219 ( 4.190 2.419 3.207) 5.805 19.500 ( -1.421 -0.821 -2.566) 3.046 20.620 ( -5.645 -3.259 8.455) 10.676 22.765 ( 12.850 7.419 -15.965) 21.796======================= Grid point 627 (104/261) =======================q-point: (-0.24 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.169 ( -29.325 -16.931 -6.655) 34.510 3.713 ( -20.884 -12.058 2.104) 24.207 6.109 ( 1.852 1.069 -22.505) 22.606 7.298 ( -9.742 -5.624 9.782) 14.907 8.410 ( -39.166 -22.612 6.235) 45.652 10.158 ( -20.883 -12.057 -0.163) 24.114 10.340 ( -40.328 -23.284 15.301) 49.017 11.210 ( -1.216 -0.702 24.650) 24.690 11.766 ( 4.349 2.511 8.919) 10.236 14.204 ( -7.083 -4.089 0.701) 8.208 16.326 ( 8.751 5.053 -2.703) 10.460 19.310 ( 3.536 2.042 2.594) 4.838 19.477 ( -0.544 -0.314 -2.492) 2.570 20.461 ( -8.506 -4.911 11.335) 14.999 22.978 ( 4.907 2.833 -25.106) 25.737======================= Grid point 628 (105/261) =======================q-point: (-0.18 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.458 ( -31.070 -17.938 4.761) 36.191 3.268 ( -16.768 -9.681 24.704) 31.387 6.111 ( -2.410 -1.391 -29.183) 29.316 7.053 ( -11.259 -6.500 2.089) 13.167 7.251 ( -61.488 -35.500 22.058) 74.348 9.606 ( -17.550 -10.133 -0.419) 20.270 9.707 ( -17.323 -10.002 1.837) 20.087 10.990 ( -17.145 -9.899 15.351) 25.052 12.026 ( 15.404 8.894 23.273) 29.292 14.238 ( 11.675 6.740 16.340) 21.183 16.584 ( 12.860 7.425 -3.556) 15.270 19.376 ( 1.920 1.108 1.469) 2.660 19.475 ( 0.398 0.230 -1.609) 1.673 20.216 ( -12.579 -7.262 12.107) 18.909 22.954 ( -8.230 -4.752 -37.946) 39.118======================= Grid point 629 (106/261) =======================q-point: (-0.12 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.800 ( -22.893 -13.217 23.946) 35.668 2.950 ( -10.770 -6.218 48.954) 50.509 5.632 ( -72.221 -41.697 40.515) 92.714 6.021 ( -6.642 -3.835 -36.707) 37.500 6.775 ( -12.704 -7.335 -6.980) 16.246 9.380 ( -10.414 -6.013 4.305) 12.773 9.480 ( 2.066 1.193 -9.705) 9.994 10.535 ( -18.153 -10.480 1.115) 20.990 12.444 ( 19.897 11.487 30.840) 38.457 14.793 ( 37.839 21.846 34.342) 55.573 16.910 ( 14.987 8.652 2.533) 17.489 19.393 ( -0.331 -0.191 -0.848) 0.930 19.496 ( 1.334 0.770 0.629) 1.664 19.888 ( -15.162 -8.754 9.925) 20.126 22.509 ( -32.733 -18.898 -52.439) 64.641======================= Grid point 630 (107/261) =======================q-point: (-0.06 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.564 ( 5.692 3.286 46.656) 47.116 2.704 ( -14.528 -8.388 57.898) 60.279 4.009 ( -59.702 -34.469 58.436) 90.372 5.954 ( 1.658 0.957 -29.089) 29.151 6.463 ( -13.987 -8.075 -15.679) 22.510 9.235 ( -1.991 -1.150 6.358) 6.761 9.451 ( -6.867 -3.964 0.412) 7.940 10.322 ( 0.191 0.111 -31.192) 31.193 12.876 ( 14.866 8.583 20.835) 26.995 16.107 ( 73.333 42.339 36.377) 92.160 17.303 ( 22.447 12.960 17.185) 31.098 19.369 ( -1.636 -0.944 -1.852) 2.645 19.527 ( 1.182 0.682 1.551) 2.066 19.552 ( -12.456 -7.192 4.714) 15.136 21.287 ( -74.846 -43.212 -51.128) 100.416======================= Grid point 632 (108/261) =======================q-point: ( 0.06 0.06 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.257 ( 61.226 15.544 16.001) 65.163 3.111 ( 31.465 5.467 55.893) 64.374 4.827 ( 5.391 79.197 45.131) 91.313 5.813 ( -13.117 4.457 -28.855) 32.009 6.817 ( 17.944 13.890 -14.232) 26.785 9.172 ( -10.529 0.151 -3.665) 11.149 9.616 ( 11.207 6.769 1.255) 13.153 10.435 ( 7.774 12.261 -8.709) 16.930 12.610 ( -6.972 -19.364 28.982) 35.546 15.086 ( -24.910 -48.215 40.059) 67.453 16.997 ( -10.000 -16.084 5.244) 19.651 19.322 ( -5.861 3.834 -1.784) 7.227 19.520 ( 1.743 -2.267 1.685) 3.319 19.831 ( 11.752 14.889 8.790) 20.906 22.266 ( 23.341 41.909 -55.271) 73.185======================= Grid point 633 (109/261) =======================q-point: ( 0.12 0.06 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.583 ( 59.030 25.621 -9.519) 65.051 3.858 ( 53.641 -3.973 50.469) 73.758 5.605 ( -7.165 23.498 -21.153) 32.418 5.771 ( 5.029 53.890 26.598) 60.307 7.288 ( 19.537 14.611 -11.312) 26.891 8.950 ( -13.209 2.385 -5.067) 14.347 9.947 ( 14.619 12.101 3.393) 19.279 10.782 ( 13.100 14.180 7.416) 20.680 12.314 ( -6.138 -14.570 27.843) 32.019 14.441 ( -11.157 -16.866 25.151) 32.272 16.649 ( -12.659 -12.834 -3.258) 18.319 19.270 ( -4.786 4.216 -1.186) 6.487 19.526 ( 1.263 -1.754 0.541) 2.228 20.209 ( 14.977 11.605 13.346) 23.176 22.818 ( 10.049 12.500 -44.353) 47.164======================= Grid point 634 (110/261) =======================q-point: ( 0.18 0.06 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.608 ( 46.819 2.959 20.740) 51.292 4.927 ( 54.111 11.089 -0.002) 55.235 5.591 ( -3.501 14.672 -25.626) 29.736 6.456 ( 4.842 42.734 19.182) 47.092 7.826 ( 21.840 21.052 -14.936) 33.812 8.830 ( -7.966 13.041 9.794) 18.151 10.341 ( 13.712 16.322 2.556) 21.470 11.049 ( 5.303 2.854 19.278) 20.197 12.140 ( -0.070 -6.814 17.572) 18.847 14.361 ( 9.225 2.919 11.701) 15.183 16.313 ( -12.099 -10.177 -7.083) 17.324 19.235 ( -4.292 4.284 -0.269) 6.070 19.534 ( 0.880 -0.086 -0.376) 0.961 20.550 ( 13.105 6.473 15.304) 21.162 22.937 ( -0.977 -1.316 -31.957) 31.999======================= Grid point 635 (111/261) =======================q-point: ( 0.24 0.06 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.247 ( 20.444 -7.699 -12.852) 25.346 5.567 ( 28.741 -1.123 17.685) 33.765 6.137 ( 31.831 26.545 -23.431) 47.611 6.785 ( -3.133 29.022 15.729) 33.159 8.283 ( 2.992 13.404 -31.439) 34.308 9.047 ( 13.737 24.359 30.005) 41.017 10.744 ( 12.003 18.961 1.011) 22.464 11.026 ( -4.005 -5.824 26.621) 27.543 12.236 ( 13.776 4.821 6.937) 16.159 14.703 ( 17.452 7.722 0.015) 19.084 16.068 ( -4.600 -4.284 -2.936) 6.938 19.199 ( -4.822 4.111 0.910) 6.402 19.560 ( 1.038 1.984 -1.001) 2.453 20.779 ( 8.426 1.310 14.411) 16.745 22.807 ( -7.535 -8.117 -22.157) 24.771======================= Grid point 636 (112/261) =======================q-point: ( 0.29 0.06 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.323 ( 1.442 -3.538 -28.850) 29.101 6.065 ( 29.062 -13.191 23.845) 39.840 6.604 ( 4.757 6.778 -12.423) 14.930 7.274 ( 15.238 42.494 8.690) 45.972 8.283 ( -9.740 10.271 -11.088) 17.981 9.586 ( 19.085 15.106 7.253) 25.398 10.884 ( -3.830 -4.965 22.432) 23.292 11.131 ( 9.582 19.894 -0.526) 22.088 12.735 ( 30.435 16.109 5.108) 34.813 14.855 ( -3.885 -6.718 -15.141) 17.014 16.215 ( 19.169 8.938 11.654) 24.149 19.150 ( -5.481 4.104 2.184) 7.187 19.606 ( 0.952 3.262 -1.297) 3.637 20.873 ( 3.434 -2.279 10.777) 11.538 22.539 ( -11.268 -11.492 -14.571) 21.711======================= Grid point 637 (113/261) =======================q-point: ( 0.35 0.06 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.282 ( -1.599 -4.087 -27.536) 27.884 6.195 ( -0.038 -7.642 -6.484) 10.022 6.779 ( 14.515 -5.204 22.947) 27.646 7.660 ( -15.206 24.302 1.351) 28.699 8.477 ( 16.731 24.155 5.994) 29.989 9.958 ( 12.595 5.056 -7.382) 15.450 10.840 ( 2.397 0.066 10.490) 10.761 11.464 ( 5.644 19.210 -2.398) 20.165 13.534 ( 37.480 18.779 5.463) 42.276 14.547 ( -15.614 -13.038 -20.390) 28.802 16.722 ( 23.476 7.725 19.944) 31.758 19.096 ( -5.500 4.653 3.399) 7.966 19.649 ( 0.302 2.727 -1.429) 3.093 20.884 ( 1.704 -2.174 4.958) 5.676 22.199 ( -13.376 -12.765 -8.638) 20.407======================= Grid point 638 (114/261) =======================q-point: ( 0.41 0.06 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.186 ( -4.067 -5.379 -24.627) 25.534 6.028 ( -12.391 -0.986 -14.628) 19.196 6.873 ( 4.733 -14.303 22.954) 27.457 7.562 ( -13.751 18.987 10.715) 25.776 9.064 ( 17.971 23.076 15.937) 33.309 10.166 ( 9.460 0.438 -13.872) 16.797 10.966 ( 7.749 4.835 -2.087) 9.369 11.699 ( -0.141 17.104 -3.658) 17.491 14.006 ( -8.637 -12.690 -15.006) 21.466 14.450 ( 25.510 13.606 -3.603) 29.135 17.052 ( 9.693 -3.331 26.139) 28.076 19.059 ( -4.756 5.893 4.343) 8.730 19.668 ( -0.269 1.019 -1.645) 1.953 20.943 ( 6.413 1.906 -1.229) 6.802 21.830 ( -14.110 -12.101 -4.240) 19.065======================= Grid point 639 (115/261) =======================q-point: ( 0.47 0.06 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.030 ( -7.065 -6.534 -20.774) 22.895 5.770 ( -17.460 1.823 -16.612) 24.169 6.685 ( -10.469 -7.994 10.657) 16.943 7.597 ( -1.626 10.821 20.483) 23.223 9.521 ( 13.491 14.346 24.413) 31.365 10.328 ( 9.001 0.133 -17.275) 19.480 11.113 ( 1.389 2.780 -7.668) 8.274 11.791 ( -7.678 14.289 -3.662) 16.629 13.702 ( -5.448 -10.594 -20.989) 24.135 14.973 ( 15.516 5.638 -2.826) 16.749 16.987 ( -5.604 -13.040 30.827) 33.938 19.052 ( -3.598 7.166 4.842) 9.367 19.663 ( -0.989 0.300 -1.887) 2.152 21.128 ( 8.365 0.770 -5.427) 10.001 21.518 ( -6.772 -4.855 -0.986) 8.391======================= Grid point 641 (116/261) =======================q-point: (-0.47 0.06 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.804 ( -10.933 -7.236 -15.987) 20.676 5.463 ( -21.034 4.046 -20.402) 29.581 6.418 ( -13.435 -1.911 3.112) 13.923 7.666 ( -0.232 4.560 22.479) 22.938 9.854 ( 13.109 6.105 26.378) 30.082 10.468 ( 5.763 -0.331 -16.995) 17.949 11.010 ( -10.978 -3.262 -4.930) 12.469 11.712 ( -15.936 11.088 -2.577) 19.584 13.655 ( 6.240 -4.428 -18.583) 20.097 14.987 ( -11.489 -10.375 -7.048) 17.009 16.714 ( -8.194 -12.376 30.679) 34.081 19.078 ( -1.896 7.643 4.763) 9.203 19.639 ( -2.448 0.832 -2.102) 3.332 21.023 ( -8.679 -8.951 -1.585) 12.568 21.708 ( 18.575 8.594 -4.375) 20.929======================= Grid point 642 (117/261) =======================q-point: (-0.41 0.06 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.501 ( -15.773 -6.778 -9.945) 19.840 5.115 ( -25.723 7.157 -26.096) 37.335 6.201 ( -10.216 0.436 -1.933) 10.407 7.667 ( -2.729 0.444 21.244) 21.424 9.999 ( -4.122 -8.174 9.164) 12.953 10.471 ( 2.088 -2.071 -0.497) 2.982 10.883 ( 1.716 1.431 2.738) 3.535 11.473 ( -22.424 9.020 -0.061) 24.170 13.571 ( -15.667 -17.105 -0.683) 23.206 14.579 ( -11.882 -8.488 -19.184) 24.110 16.465 ( -8.609 -9.665 23.585) 26.903 19.138 ( -0.074 7.548 4.192) 8.635 19.598 ( -3.646 1.713 -2.305) 4.641 20.808 ( -6.269 -6.367 2.444) 9.263 22.148 ( 20.967 7.542 -7.684) 23.570======================= Grid point 643 (118/261) =======================q-point: (-0.35 0.06 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.122 ( -21.623 -3.582 -2.093) 22.018 4.699 ( -32.093 9.991 -28.448) 44.035 6.082 ( -3.809 0.283 -8.082) 8.939 7.578 ( -6.083 -2.510 18.156) 19.312 9.532 ( -27.123 -16.393 -6.493) 32.351 10.596 ( 8.903 -8.032 12.549) 17.357 10.986 ( 2.709 2.989 8.974) 9.839 11.175 ( -17.842 9.774 9.691) 22.534 12.714 ( -45.190 -29.457 9.043) 54.696 14.484 ( -2.362 -0.744 -20.699) 20.846 16.242 ( -5.327 -6.626 13.199) 15.700 19.222 ( 1.084 7.052 3.418) 7.912 19.549 ( -3.864 1.740 -2.469) 4.905 20.671 ( -4.147 -4.023 6.703) 8.849 22.556 ( 18.015 4.903 -12.388) 22.406======================= Grid point 644 (119/261) =======================q-point: (-0.29 0.06 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.683 ( -29.259 4.800 7.212) 30.515 4.201 ( -36.436 10.658 -22.366) 44.062 6.060 ( 1.413 -1.780 -16.243) 16.401 7.410 ( -8.981 -4.505 13.260) 16.637 8.836 ( -33.100 -17.759 -2.752) 37.663 10.383 ( -18.191 -15.468 2.813) 24.044 10.788 ( -27.856 -9.528 17.553) 34.276 11.175 ( 3.551 0.718 24.469) 24.736 11.851 ( -17.844 -6.075 4.576) 19.397 14.338 ( -11.151 -2.539 -6.943) 13.379 16.211 ( 6.233 -0.956 0.937) 6.375 19.312 ( 1.372 6.213 2.735) 6.926 19.500 ( -2.826 0.313 -2.528) 3.805 20.554 ( -6.084 -2.714 10.427) 12.374 22.856 ( 11.911 1.848 -19.623) 23.030======================= Grid point 645 (120/261) =======================q-point: (-0.24 0.06 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.200 ( -40.942 20.460 11.689) 47.238 3.684 ( -32.771 9.223 -1.205) 34.066 6.054 ( 1.709 -7.064 -24.209) 25.276 7.169 ( -12.668 -8.722 8.461) 17.553 7.960 ( -47.753 -19.629 8.574) 52.337 9.719 ( -25.637 -27.265 5.122) 37.773 10.157 ( -29.101 1.866 4.242) 29.468 11.136 ( -7.409 -5.845 20.907) 22.939 11.881 ( 9.723 7.601 15.385) 19.723 14.183 ( -1.925 1.659 7.761) 8.167 16.397 ( 13.335 1.717 -4.590) 14.207 19.388 ( 0.463 5.154 1.870) 5.502 19.459 ( -0.608 -2.252 -2.018) 3.084 20.385 ( -11.055 -1.788 12.510) 16.791 22.984 ( 1.770 -1.548 -30.050) 30.142======================= Grid point 646 (121/261) =======================q-point: (-0.18 0.06 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.680 ( -50.584 37.189 8.900) 63.411 3.298 ( -23.617 12.908 34.117) 43.455 5.954 ( -0.707 -13.848 -29.701) 32.778 6.405 ( -58.374 -38.537 29.739) 76.007 7.126 ( -26.625 5.709 -4.977) 27.681 9.251 ( -2.250 -17.192 -3.780) 17.746 9.790 ( -19.615 8.496 1.471) 21.427 10.806 ( -20.520 -6.526 10.330) 23.883 12.206 ( 17.418 8.065 27.561) 33.586 14.387 ( 21.506 6.303 23.202) 32.258 16.679 ( 16.577 1.689 -2.521) 16.853 19.389 ( -1.117 -3.114 -1.866) 3.799 19.471 ( 1.768 1.825 1.698) 3.056 20.133 ( -16.409 -0.222 12.081) 20.378 22.842 ( -16.152 -4.669 -43.569) 46.701======================= Grid point 651 (122/261) =======================q-point: ( 0.12 0.12 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.847 ( 45.428 3.191 43.398) 62.906 4.104 ( 53.722 25.886 -24.572) 64.497 5.840 ( -9.389 9.744 -23.844) 27.416 6.868 ( -2.867 36.279 17.261) 40.279 7.742 ( 18.045 34.373 -3.294) 38.961 9.205 ( -11.959 25.040 3.948) 28.029 10.254 ( 17.146 18.546 2.906) 25.424 11.034 ( 2.126 9.127 18.681) 20.900 12.035 ( 1.103 -11.977 18.508) 22.073 14.250 ( 4.345 -1.621 11.993) 12.858 16.392 ( -9.654 -12.281 -5.975) 16.725 19.368 ( -4.374 5.078 -1.342) 6.835 19.489 ( 3.464 -1.812 0.885) 4.008 20.413 ( 10.168 8.346 14.008) 19.216 22.949 ( -1.187 0.596 -32.749) 32.776======================= Grid point 652 (123/261) =======================q-point: ( 0.18 0.12 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.573 ( 39.238 -1.701 30.615) 49.798 5.172 ( 34.481 10.024 -28.275) 45.704 5.948 ( 12.953 18.331 -18.646) 29.181 7.103 ( -2.016 23.185 14.549) 27.446 8.342 ( 11.637 28.272 -19.625) 36.330 9.321 ( -8.994 33.411 20.295) 40.113 10.737 ( 14.280 21.764 4.138) 26.357 11.045 ( -3.939 -1.295 23.945) 24.302 12.053 ( 9.891 -0.638 8.966) 13.366 14.482 ( 15.630 7.846 2.205) 17.627 16.124 ( -8.103 -7.854 -4.623) 12.195 19.341 ( -4.839 5.437 0.215) 7.282 19.548 ( 3.136 1.916 -0.671) 3.736 20.634 ( 8.954 1.800 14.178) 16.865 22.838 ( -6.162 -8.449 -23.513) 25.734======================= Grid point 653 (124/261) =======================q-point: ( 0.24 0.12 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.119 ( 23.023 -4.335 1.558) 23.479 5.518 ( 15.816 -3.048 2.283) 16.269 6.516 ( 17.465 11.882 -20.099) 29.158 7.424 ( 12.502 32.823 10.950) 36.791 8.624 ( -7.989 20.369 -24.533) 32.873 9.557 ( 2.730 23.289 18.617) 29.941 10.897 ( -3.805 -5.446 24.564) 25.446 11.218 ( 8.802 27.442 0.893) 28.833 12.405 ( 23.710 12.578 6.778) 27.682 14.768 ( 7.726 -2.303 -10.539) 13.269 16.049 ( 6.227 2.732 6.079) 9.121 19.307 ( -5.622 5.889 1.520) 8.282 19.628 ( 1.718 5.012 -1.410) 5.483 20.756 ( 6.113 -3.258 11.983) 13.841 22.589 ( -9.251 -13.280 -16.260) 22.942======================= Grid point 654 (125/261) =======================q-point: ( 0.29 0.12 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.259 ( 1.315 -2.095 -21.808) 21.948 5.842 ( 24.003 -8.580 21.020) 33.039 6.680 ( -0.291 0.549 1.856) 1.957 8.095 ( 9.995 38.650 -7.613) 40.641 8.591 ( -8.742 18.751 -6.627) 21.725 9.826 ( 8.040 8.823 0.302) 11.940 10.815 ( -0.410 -1.031 13.577) 13.623 11.622 ( 4.794 28.102 -0.066) 28.508 13.085 ( 34.150 17.901 8.307) 39.442 14.640 ( -10.036 -13.502 -19.112) 25.461 16.383 ( 21.800 6.338 16.594) 28.121 19.267 ( -6.228 6.894 2.618) 9.652 19.694 ( -0.637 5.388 -1.548) 5.642 20.799 ( 4.141 -4.610 7.476) 9.710 22.267 ( -10.873 -15.126 -10.513) 21.391======================= Grid point 655 (126/261) =======================q-point: ( 0.35 0.12 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.214 ( -3.527 -1.710 -19.079) 19.477 6.074 ( 8.414 -4.358 5.165) 10.791 6.640 ( 2.140 -8.232 22.194) 23.768 8.156 ( -25.233 24.959 -8.872) 36.584 9.041 ( 17.468 29.646 4.221) 34.667 9.998 ( 7.911 -0.977 -9.207) 12.178 10.890 ( 6.311 5.485 -0.489) 8.376 11.937 ( -0.684 26.786 -1.083) 26.816 13.801 ( 24.370 2.773 2.512) 24.655 14.325 ( -4.482 -3.921 -16.140) 17.204 16.768 ( 17.518 -3.751 22.602) 28.841 19.237 ( -6.021 8.919 3.342) 11.268 19.706 ( -2.476 2.779 -1.570) 4.040 20.844 ( 5.602 -1.700 1.823) 6.131 21.920 ( -11.585 -14.275 -6.050) 19.354======================= Grid point 656 (127/261) =======================q-point: ( 0.41 0.12 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.110 ( -6.781 -1.094 -13.629) 15.262 6.031 ( -9.657 0.201 -4.870) 10.817 6.616 ( 5.598 -11.188 24.124) 27.175 7.981 ( -21.162 22.859 -1.599) 31.192 9.516 ( 7.142 20.183 14.926) 26.099 10.137 ( 11.347 -2.522 -17.787) 21.248 11.095 ( 6.523 8.225 -9.659) 14.265 12.127 ( -7.244 24.466 -0.669) 25.524 13.677 ( -8.079 -18.659 -19.210) 27.973 14.706 ( 22.796 10.786 0.889) 25.234 16.854 ( 3.799 -15.971 27.790) 32.277 19.238 ( -6.005 11.547 3.777) 13.552 19.684 ( -1.335 0.559 -1.800) 2.310 20.970 ( 9.128 -0.491 -2.834) 9.570 21.601 ( -9.838 -9.240 -2.755) 13.775======================= Grid point 657 (128/261) =======================q-point: (-0.53 0.12 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.954 ( -10.514 -0.050 -7.381) 12.846 5.805 ( -14.992 0.027 -6.188) 16.219 6.574 ( -2.818 -3.022 8.204) 9.185 7.879 ( -14.530 17.695 7.344) 24.045 9.741 ( 5.897 5.878 18.371) 20.169 10.328 ( 10.058 0.712 -18.118) 20.735 11.170 ( -6.645 3.262 -10.929) 13.200 12.163 ( -15.670 21.407 1.370) 26.565 13.470 ( 4.421 -12.453 -21.132) 24.923 14.994 ( 2.256 -3.331 -2.098) 4.538 16.657 ( -2.862 -18.383 30.334) 35.585 19.248 ( -6.130 11.463 3.966) 13.591 19.682 ( -0.523 1.967 -1.853) 2.753 21.020 ( -1.126 -10.051 -3.160) 10.596 21.530 ( 8.078 4.341 -2.650) 9.546======================= Grid point 658 (129/261) =======================q-point: (-0.47 0.12 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.742 ( -14.725 1.730 -0.305) 14.830 5.542 ( -15.919 2.087 -13.162) 20.761 6.456 ( -11.818 5.276 -4.611) 13.739 7.805 ( -10.688 10.270 14.457) 20.705 9.873 ( 7.258 -4.332 13.141) 15.624 10.440 ( 1.764 -2.812 -12.842) 13.264 10.984 ( -11.585 1.124 -4.852) 12.610 12.009 ( -23.434 16.666 2.780) 28.890 13.501 ( 5.416 -11.311 -11.643) 17.113 14.729 ( -16.523 -13.271 -8.347) 22.778 16.459 ( -2.944 -12.301 26.099) 29.002 19.264 ( -3.946 9.628 3.753) 11.062 19.690 ( -2.825 4.750 -1.924) 5.851 20.834 ( -5.503 -9.538 0.649) 11.031 21.853 ( 19.449 5.553 -5.760) 21.030======================= Grid point 659 (130/261) =======================q-point: (-0.41 0.12 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.483 ( -18.808 5.322 7.949) 21.101 5.291 ( -19.341 8.214 -24.818) 32.519 6.283 ( -15.070 8.062 -10.056) 19.830 7.698 ( -9.706 3.371 17.467) 20.265 9.758 ( -13.792 -14.325 -6.336) 20.870 10.387 ( 3.727 -6.528 5.691) 9.429 10.940 ( 2.244 2.797 4.157) 5.491 11.708 ( -26.933 12.044 5.137) 29.948 13.108 ( -30.467 -25.445 8.710) 40.640 14.492 ( -0.318 -0.694 -21.486) 21.500 16.268 ( -6.270 -9.205 18.318) 21.439 19.307 ( -1.482 8.058 3.239) 8.811 19.668 ( -5.627 5.072 -2.190) 7.886 20.682 ( -2.819 -5.764 4.946) 8.102 22.254 ( 20.608 3.106 -9.345) 22.840======================= Grid point 660 (131/261) =======================q-point: (-0.35 0.12 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.209 ( -22.141 12.214 18.101) 31.097 5.004 ( -29.654 17.910 -34.284) 48.740 6.117 ( -10.446 4.004 -11.958) 16.375 7.533 ( -10.092 -1.948 16.181) 19.170 9.208 ( -28.192 -15.452 -11.813) 34.250 10.371 ( 0.233 -15.281 8.569) 17.521 10.995 ( 0.473 -2.934 18.733) 18.968 11.340 ( -24.292 4.646 9.066) 26.341 12.234 ( -35.105 -14.251 8.945) 38.929 14.493 ( -5.222 2.372 -14.460) 15.556 16.119 ( -0.180 -5.339 7.412) 9.136 19.367 ( -0.023 6.052 2.521) 6.556 19.597 ( -6.659 2.522 -2.373) 7.506 20.607 ( -2.321 -1.619 9.368) 9.786 22.609 ( 17.415 0.819 -14.724) 22.820======================= Grid point 661 (132/261) =======================q-point: (-0.29 0.12 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.977 ( -24.342 23.221 30.689) 45.536 4.603 ( -42.301 27.405 -34.192) 60.906 5.994 ( -4.451 -4.222 -16.495) 17.598 7.303 ( -11.864 -6.892 12.209) 18.367 8.514 ( -35.262 -13.111 -7.380) 38.337 9.904 ( -25.666 -30.214 11.259) 41.211 10.692 ( -28.763 0.925 9.824) 30.408 11.132 ( -0.184 -4.444 21.902) 22.349 11.888 ( -3.763 6.766 8.182) 11.264 14.345 ( -12.396 3.608 -0.554) 12.922 16.179 ( 10.471 -2.234 -2.972) 11.112 19.419 ( 0.833 1.692 1.530) 2.429 19.500 ( -5.563 0.917 -1.862) 5.937 20.540 ( -6.215 1.896 12.631) 14.204 22.860 ( 10.810 -0.871 -22.483) 24.962======================= Grid point 669 (133/261) =======================q-point: ( 0.18 0.18 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.591 ( 30.713 3.588 24.887) 39.693 5.313 ( 15.634 4.716 -26.771) 31.358 6.278 ( 21.760 13.908 -17.788) 31.358 7.496 ( 7.658 17.481 13.553) 23.408 8.919 ( 0.949 28.595 -19.727) 34.752 9.947 ( -15.495 22.928 13.376) 30.736 10.923 ( -3.252 -0.530 24.521) 24.741 11.335 ( 11.074 27.779 3.840) 30.151 12.183 ( 16.818 15.834 8.320) 24.551 14.597 ( 9.854 1.579 -9.850) 14.022 16.038 ( -2.458 0.299 4.268) 4.934 19.416 ( -1.238 1.572 1.520) 2.513 19.633 ( 4.615 6.417 -1.925) 8.135 20.632 ( 4.168 -1.443 11.606) 12.416 22.608 ( -8.869 -14.116 -16.246) 23.278======================= Grid point 670 (134/261) =======================q-point: ( 0.24 0.18 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.087 ( 21.029 1.149 8.544) 22.728 5.469 ( 8.115 -1.263 -1.691) 8.385 6.655 ( 6.545 2.773 -5.587) 9.041 8.050 ( 28.246 28.445 -2.975) 40.197 9.053 ( -14.656 20.344 -17.817) 30.759 9.926 ( -6.141 13.667 5.356) 15.912 10.847 ( -3.384 1.224 14.041) 14.495 11.815 ( 8.465 30.600 2.042) 31.815 12.747 ( 25.121 20.624 11.668) 34.533 14.620 ( -2.111 -10.863 -17.808) 20.967 16.149 ( 10.801 5.651 13.938) 18.517 19.407 ( -2.737 3.627 2.125) 5.016 19.765 ( 1.311 8.337 -2.300) 8.747 20.668 ( 4.181 -4.943 8.890) 10.998 22.287 ( -9.848 -16.302 -11.264) 22.127======================= Grid point 671 (135/261) =======================q-point: ( 0.29 0.18 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.264 ( -0.328 2.942 -11.495) 11.870 5.722 ( 21.223 -3.560 20.297) 29.582 6.633 ( -5.004 -4.900 11.182) 13.194 8.799 ( -4.311 29.538 -21.293) 36.667 8.973 ( 10.556 18.577 -3.866) 21.714 9.961 ( -2.960 5.445 -2.187) 6.572 10.878 ( 2.316 7.983 -0.183) 8.314 12.218 ( 2.404 29.882 0.307) 29.980 13.387 ( 26.883 8.715 9.189) 29.717 14.394 ( -8.286 -7.212 -16.300) 19.656 16.426 ( 16.019 -2.852 19.467) 25.371 19.401 ( -3.093 5.972 2.357) 7.127 19.819 ( -4.388 6.920 -2.195) 8.483 20.706 ( 6.282 -4.441 4.666) 8.998 21.955 ( -9.648 -15.180 -7.291) 19.408======================= Grid point 672 (136/261) =======================q-point: ( 0.35 0.18 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.239 ( -5.796 4.528 -6.909) 10.091 6.015 ( 12.790 -1.769 11.368) 17.203 6.456 ( -4.138 -9.998 23.290) 25.681 8.643 ( -24.333 22.775 -12.600) 35.631 9.615 ( 15.183 26.404 -6.310) 31.104 9.930 ( 1.953 -5.127 -7.931) 9.644 11.077 ( 6.979 13.244 -11.480) 18.865 12.490 ( -3.747 26.316 -0.646) 26.590 13.572 ( -0.698 -19.524 -11.241) 22.540 14.480 ( 15.151 14.521 2.121) 21.093 16.563 ( 9.565 -16.394 24.031) 30.623 19.436 ( -2.085 10.397 1.990) 10.789 19.760 ( -6.952 2.649 -1.939) 7.688 20.799 ( 8.359 -3.614 0.541) 9.123 21.663 ( -8.421 -10.145 -4.289) 13.864======================= Grid point 673 (137/261) =======================q-point: ( 0.41 0.18 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.162 ( -9.381 6.290 -0.378) 11.301 6.000 ( -9.932 -4.047 4.420) 11.600 6.433 ( 10.524 -6.743 22.553) 25.785 8.470 ( -23.520 25.171 -10.533) 36.024 9.776 ( -4.352 2.698 6.949) 8.632 10.142 ( 14.081 5.499 -18.466) 23.864 11.299 ( 0.374 11.843 -15.912) 19.839 12.626 ( -8.859 22.974 1.676) 24.679 13.287 ( -3.344 -18.749 -18.852) 26.797 14.880 ( 11.192 6.655 4.341) 13.726 16.448 ( 2.584 -22.914 27.602) 35.966 19.498 ( -7.178 13.118 2.211) 15.116 19.695 ( 0.140 1.187 -2.147) 2.457 20.875 ( 5.550 -8.813 -1.620) 10.540 21.504 ( -1.615 -0.586 -2.768) 3.258======================= Grid point 675 (138/261) =======================q-point: (-0.53 0.18 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.038 ( -13.146 8.280 6.220) 16.735 5.748 ( -11.340 -5.363 2.133) 12.725 6.547 ( 5.032 -0.332 9.238) 10.525 8.310 ( -24.214 24.600 -6.435) 35.113 9.735 ( 1.983 -5.701 5.240) 7.994 10.350 ( 6.054 0.241 -13.671) 14.954 11.247 ( -14.204 3.690 -13.998) 20.281 12.594 ( -21.411 19.857 6.074) 29.827 13.214 ( 12.479 -12.158 -18.704) 25.561 14.862 ( -11.560 -8.905 1.034) 14.629 16.310 ( 4.544 -14.507 26.465) 30.520 19.449 ( -7.338 6.694 2.063) 10.145 19.778 ( 0.728 8.507 -1.738) 8.713 20.792 ( -1.638 -11.609 -0.036) 11.724 21.622 ( 11.696 4.029 -4.171) 13.054======================= Grid point 676 (139/261) =======================q-point: (-0.47 0.18 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.876 ( -16.449 11.201 12.700) 23.608 5.532 ( -8.510 -2.547 -6.798) 11.186 6.580 ( -4.566 5.598 -2.569) 7.667 8.104 ( -25.020 19.319 0.301) 31.612 9.699 ( 1.949 -12.439 -0.340) 12.595 10.339 ( -2.974 -7.168 -7.997) 11.144 11.021 ( -9.961 0.626 -5.278) 11.290 12.310 ( -27.827 11.427 4.851) 30.471 13.231 ( -5.557 -12.922 0.660) 14.082 14.525 ( -8.555 -6.296 -11.389) 15.573 16.253 ( -0.806 -7.139 20.915) 22.114 19.415 ( -3.170 4.748 2.392) 6.190 19.833 ( -4.921 8.325 -2.210) 9.920 20.654 ( -1.653 -7.580 3.592) 8.549 21.931 ( 18.689 2.353 -6.876) 20.052======================= Grid point 677 (140/261) =======================q-point: (-0.41 0.18 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.708 ( -18.239 16.454 18.741) 30.897 5.400 ( -7.171 2.830 -17.581) 19.197 6.494 ( -15.003 11.011 -12.627) 22.489 7.827 ( -23.299 9.649 8.321) 26.556 9.445 ( -14.998 -16.911 -14.206) 26.697 10.201 ( -0.325 -12.274 4.501) 13.077 10.936 ( 0.080 -3.609 9.187) 9.871 11.878 ( -30.051 3.122 4.821) 30.595 12.713 ( -32.505 -10.027 12.850) 36.363 14.531 ( 4.748 4.060 -18.915) 19.920 16.127 ( -5.941 -3.817 14.324) 15.970 19.421 ( -0.996 2.716 2.289) 3.689 19.768 ( -8.733 3.354 -2.544) 9.694 20.606 ( 0.725 -0.773 7.904) 7.975 22.286 ( 19.747 0.527 -10.730) 22.480======================= Grid point 688 (141/261) =======================q-point: ( 0.24 0.24 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.156 ( 19.359 5.220 13.402) 24.117 5.487 ( 2.633 3.417 -0.211) 4.319 6.648 ( -0.647 -3.195 5.221) 6.155 8.539 ( 36.809 19.651 -11.949) 43.404 9.376 ( -16.602 11.307 -8.800) 21.930 10.155 ( -7.076 9.706 -4.788) 12.931 10.965 ( -0.012 10.764 -2.881) 11.143 12.399 ( 11.433 26.609 1.937) 29.026 13.125 ( 12.300 11.769 10.144) 19.816 14.451 ( -3.471 -1.329 -13.793) 14.285 16.217 ( 5.078 0.006 18.324) 19.014 19.458 ( 0.832 2.004 1.936) 2.908 19.928 ( 2.581 6.509 -3.417) 7.791 20.586 ( 1.092 -2.425 6.245) 6.788 21.957 ( -8.562 -15.803 -7.527) 19.485======================= Grid point 689 (142/261) =======================q-point: ( 0.29 0.24 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.383 ( -1.306 8.772 -0.124) 8.869 5.688 ( 18.402 -0.132 19.333) 26.691 6.493 ( -8.333 -8.798 16.677) 20.615 9.183 ( -14.037 10.885 -6.463) 18.902 9.353 ( 29.583 15.637 -24.099) 41.236 10.092 ( -10.062 8.731 -5.031) 14.240 11.145 ( 3.355 18.032 -13.716) 22.903 12.753 ( 0.414 19.717 -4.432) 20.213 13.320 ( 9.733 -11.570 0.175) 15.121 14.497 ( 2.215 16.383 2.371) 16.701 16.254 ( 6.152 -14.064 21.053) 26.056 19.510 ( 1.540 5.364 0.674) 5.621 19.948 ( -7.010 4.828 -3.553) 9.224 20.618 ( 6.277 -4.287 4.139) 8.655 21.691 ( -6.489 -10.311 -5.051) 13.188======================= Grid point 690 (143/261) =======================q-point: ( 0.35 0.24 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.396 ( -7.319 10.821 4.993) 13.986 5.989 ( 12.441 -1.361 13.038) 18.072 6.243 ( -4.986 -10.958 24.650) 27.433 9.054 ( -16.167 17.982 -11.566) 26.805 9.777 ( 7.659 -7.740 -13.868) 17.632 10.103 ( 0.126 19.296 -12.905) 23.214 11.415 ( 3.814 19.743 -18.949) 27.629 12.786 ( -0.567 -7.736 -15.912) 17.702 13.304 ( -5.713 3.803 2.062) 7.166 14.804 ( 9.351 17.127 10.518) 22.168 16.138 ( 4.052 -24.691 23.758) 34.503 19.636 ( 4.669 8.887 -1.160) 10.105 19.812 ( -11.443 2.449 -2.390) 11.944 20.681 ( 6.517 -7.522 2.230) 10.199 21.536 ( -3.341 -2.833 -3.530) 5.626======================= Grid point 691 (144/261) =======================q-point: (-0.59 0.24 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.355 ( -10.875 12.492 10.614) 19.671 5.863 ( -10.482 -8.997 10.107) 17.116 6.341 ( 14.557 -3.050 20.336) 25.195 8.966 ( -18.709 23.424 -14.070) 33.116 9.686 ( -3.234 -8.464 -6.052) 10.896 10.285 ( 2.607 5.441 -15.899) 17.005 11.528 ( -11.047 8.706 -20.170) 24.590 12.792 ( 16.022 -9.887 -18.153) 26.153 13.175 ( -18.936 11.800 4.832) 22.829 14.971 ( -6.220 1.685 9.492) 11.473 16.017 ( 10.427 -16.915 24.804) 31.782 19.637 ( -9.413 0.641 -1.100) 9.498 19.830 ( 4.585 11.245 -2.353) 12.370 20.669 ( 2.320 -10.024 2.083) 10.497 21.528 ( 3.198 1.778 -3.477) 5.048======================= Grid point 692 (145/261) =======================q-point: (-0.53 0.24 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.269 ( -13.949 13.531 14.525) 24.262 5.619 ( -7.637 -6.307 4.669) 10.950 6.536 ( 9.745 -1.216 13.179) 16.436 8.833 ( -26.548 26.343 -14.929) 40.269 9.545 ( -0.626 -12.814 -4.872) 13.723 10.295 ( -0.581 -6.229 -10.981) 12.638 11.263 ( -17.860 -3.284 -15.839) 24.097 12.863 ( -22.724 1.809 -0.446) 22.800 13.083 ( 12.174 4.876 -4.770) 13.955 14.669 ( -16.781 -9.707 3.642) 19.726 16.136 ( 9.436 -1.621 21.657) 23.679 19.514 ( -5.345 0.899 0.657) 5.460 19.971 ( -0.663 7.161 -3.556) 8.022 20.594 ( 0.009 -6.245 3.947) 7.387 21.680 ( 11.898 1.648 -4.949) 12.991======================= Grid point 706 (146/261) =======================q-point: ( 0.29 0.29 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.590 ( 5.497 9.531 9.889) 14.793 5.716 ( 8.448 4.455 16.657) 19.200 6.285 ( -10.131 -11.816 20.231) 25.525 9.329 ( 6.608 4.189 -8.054) 11.228 9.539 ( 5.364 4.789 -17.026) 18.482 10.294 ( -0.925 9.149 -17.739) 19.981 11.558 ( 5.896 21.393 -20.979) 30.537 12.683 ( -9.808 -21.387 -20.841) 31.432 13.362 ( 11.497 12.864 9.495) 19.694 14.906 ( 3.742 21.108 13.491) 25.329 15.894 ( -5.288 -19.978 21.564) 29.868 19.635 ( 4.044 7.219 -1.800) 8.468 19.964 ( -3.235 -3.862 -5.063) 7.143 20.554 ( 0.103 -1.447 5.595) 5.780 21.550 ( -2.020 -3.907 -3.779) 5.799======================= Grid point 707 (147/261) =======================q-point: ( 0.35 0.29 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.658 ( -7.880 14.401 12.680) 20.743 5.913 ( -1.563 -8.165 11.405) 14.113 6.053 ( 8.509 -5.708 26.803) 28.694 9.366 ( -7.525 12.749 -10.519) 18.161 9.606 ( 3.299 -8.737 -11.356) 14.704 10.382 ( -2.674 7.309 -24.637) 25.837 11.831 ( -7.555 19.555 -22.319) 30.621 12.378 ( 10.065 -22.225 -22.507) 33.194 13.525 ( -6.061 8.836 9.445) 14.284 15.157 ( -4.892 16.623 16.457) 23.898 15.640 ( 8.535 -21.726 21.624) 31.819 19.766 ( -2.161 3.436 -4.026) 5.717 19.853 ( -0.220 1.271 -4.134) 4.330 20.549 ( 2.072 -4.070 5.991) 7.534 21.515 ( -0.012 -0.075 -3.396) 3.397======================= Grid point 921 (148/261) =======================q-point: ( 0.00 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 261Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.944 ( 0.000 0.000 43.001) 43.001 2.944 ( 0.000 -0.000 43.001) 43.001 4.875 ( -0.000 -0.000 75.671) 75.671 5.657 ( 0.000 0.000 -26.613) 26.613 5.657 ( 0.000 -0.000 -26.613) 26.613 9.377 ( 0.000 0.000 -54.100) 54.100 9.403 ( 0.000 0.000 5.453) 5.453 9.403 ( 0.000 -0.000 5.453) 5.453 13.243 ( 0.000 0.000 7.428) 7.428 17.147 ( 0.000 0.000 3.773) 3.773 18.542 ( -0.000 0.000 3.436) 3.436 19.290 ( 0.000 0.000 -1.402) 1.402 19.290 ( 0.000 -0.000 -1.402) 1.402 19.572 ( 0.000 0.000 0.974) 0.974 19.572 ( 0.000 -0.000 0.974) 0.974======================= Grid point 922 (149/261) =======================q-point: ( 0.06 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.740 ( 10.422 6.017 42.587) 44.255 3.677 ( 34.152 19.718 32.385) 51.029 5.048 ( 16.147 9.322 65.767) 68.359 5.329 ( -11.256 -6.499 -24.095) 27.377 6.132 ( 22.102 12.761 -22.785) 34.213 9.052 ( -12.988 -7.498 -24.361) 28.607 9.560 ( 9.021 5.208 2.888) 10.809 9.779 ( 21.838 12.608 -16.165) 29.952 13.149 ( -7.803 -4.505 8.390) 12.311 16.584 ( -43.228 -24.958 13.954) 51.829 17.626 ( -38.847 -22.428 12.987) 46.699 19.251 ( -1.576 -0.910 -0.392) 1.862 19.570 ( -0.444 -0.256 0.563) 0.762 19.700 ( 20.837 12.030 7.744) 25.276 20.568 ( 54.304 31.353 -27.447) 68.449======================= Grid point 923 (150/261) =======================q-point: ( 0.12 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.289 ( 32.850 18.966 20.984) 43.349 4.433 ( 27.172 15.688 7.226) 32.197 5.187 ( 2.039 1.177 -4.118) 4.743 5.613 ( 30.711 17.731 55.881) 66.183 6.625 ( 19.518 11.269 -25.743) 34.214 8.816 ( -5.745 -3.317 -14.688) 16.117 9.810 ( 12.297 7.100 0.764) 14.220 10.382 ( 28.670 16.552 -6.788) 33.794 12.903 ( -12.697 -7.330 9.455) 17.445 15.560 ( -38.832 -22.419 31.739) 54.935 16.887 ( -26.948 -15.558 -2.022) 31.182 19.220 ( -1.077 -0.622 0.484) 1.335 19.553 ( -0.944 -0.545 0.033) 1.091 20.230 ( 22.936 13.242 15.324) 30.598 21.602 ( 33.765 19.494 -38.628) 54.884======================= Grid point 924 (151/261) =======================q-point: ( 0.18 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.143 ( 39.177 22.619 -3.004) 45.338 4.739 ( 2.541 1.467 -32.229) 32.362 5.589 ( 28.490 16.449 32.905) 46.530 6.315 ( 24.534 14.165 41.758) 50.461 7.029 ( 16.804 9.702 -33.088) 38.358 8.879 ( 12.578 7.262 9.746) 17.490 10.121 ( 14.295 8.253 -0.621) 16.519 11.012 ( 23.197 13.393 0.852) 26.799 12.597 ( -12.656 -7.307 8.303) 16.808 14.900 ( -16.972 -9.799 30.851) 36.549 16.344 ( -19.686 -11.366 -11.537) 25.491 19.201 ( -0.613 -0.354 1.216) 1.407 19.531 ( -0.895 -0.517 -0.606) 1.198 20.709 ( 17.571 10.145 18.346) 27.353 22.159 ( 15.225 8.790 -35.936) 40.006======================= Grid point 925 (152/261) =======================q-point: ( 0.24 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.759 ( 0.517 0.298 -32.738) 32.744 5.053 ( 37.727 21.782 -22.487) 49.025 6.273 ( 28.454 16.428 32.556) 46.254 6.594 ( 2.152 1.243 8.071) 8.445 7.502 ( 22.559 13.024 -16.008) 30.574 9.347 ( 23.822 13.754 33.934) 43.683 10.465 ( 15.118 8.729 -1.501) 17.522 11.385 ( 8.668 5.005 8.269) 12.984 12.366 ( -5.405 -3.121 5.116) 8.070 14.761 ( 2.310 1.334 16.293) 16.510 16.006 ( -7.646 -4.415 -11.325) 14.360 19.187 ( -0.731 -0.422 1.971) 2.144 19.518 ( -0.019 -0.011 -1.351) 1.352 21.023 ( 9.214 5.320 17.082) 20.124 22.360 ( 3.076 1.776 -28.129) 28.352======================= Grid point 926 (153/261) =======================q-point: ( 0.29 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.775 ( 0.715 0.413 -29.855) 29.867 5.754 ( 17.417 10.056 -37.658) 42.692 6.676 ( 11.111 6.415 -4.522) 13.604 6.876 ( 23.169 13.377 29.532) 39.848 7.984 ( 18.390 10.617 2.101) 21.338 9.789 ( 11.879 6.858 33.219) 35.939 10.813 ( 14.604 8.432 -2.332) 17.024 11.415 ( -5.863 -3.385 17.326) 18.602 12.509 ( 20.488 11.829 1.237) 23.690 14.752 ( -7.463 -4.309 -6.331) 10.693 16.126 ( 19.020 10.981 1.848) 22.040 19.163 ( -1.315 -0.759 2.843) 3.223 19.533 ( 1.233 0.712 -2.055) 2.500 21.134 ( 0.511 0.295 12.657) 12.671 22.338 ( -4.368 -2.522 -19.362) 20.008======================= Grid point 927 (154/261) =======================q-point: ( 0.35 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.784 ( -0.115 -0.067 -26.682) 26.682 5.829 ( -5.788 -3.342 -32.881) 33.553 7.109 ( 18.933 10.931 -15.514) 26.807 7.345 ( 17.220 9.942 26.548) 33.169 8.386 ( 17.825 10.291 18.357) 27.580 9.938 ( 3.569 2.060 14.813) 15.376 11.131 ( 12.448 7.187 -3.421) 14.776 11.207 ( -9.745 -5.626 16.184) 19.712 13.230 ( 37.486 21.643 5.916) 43.688 14.429 ( -18.333 -10.585 -16.613) 26.910 16.739 ( 29.482 17.021 9.295) 35.289 19.129 ( -1.535 -0.886 3.779) 4.174 19.570 ( 1.755 1.014 -2.517) 3.231 21.071 ( -5.096 -2.942 7.118) 9.236 22.176 ( -9.321 -5.382 -11.909) 16.052======================= Grid point 928 (155/261) =======================q-point: ( 0.41 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.762 ( -1.879 -1.085 -23.310) 23.411 5.636 ( -9.644 -5.568 -26.528) 28.771 7.326 ( -1.000 -0.577 -1.867) 2.195 7.680 ( 11.766 6.793 23.532) 27.173 8.873 ( 23.723 13.696 11.620) 29.756 10.043 ( 6.161 3.557 3.810) 8.070 11.031 ( -4.634 -2.675 8.798) 10.297 11.378 ( 8.479 4.896 -4.665) 10.846 13.915 ( -12.627 -7.290 -14.972) 20.899 14.150 ( 27.175 15.690 3.258) 31.548 17.345 ( 20.248 11.690 13.214) 26.856 19.097 ( -1.076 -0.621 4.678) 4.840 19.606 ( 1.153 0.665 -2.706) 3.015 20.957 ( -3.112 -1.797 2.225) 4.227 21.917 ( -12.663 -7.311 -6.972) 16.199======================= Grid point 929 (156/261) =======================q-point: ( 0.47 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.692 ( -4.296 -2.480 -19.762) 20.375 5.399 ( -10.794 -6.232 -20.572) 24.054 7.137 ( -13.195 -7.618 13.430) 20.310 7.897 ( 7.039 4.064 20.389) 21.949 9.415 ( 21.723 12.542 -4.576) 25.498 10.209 ( 7.312 4.222 7.360) 11.201 10.997 ( 0.813 0.470 0.066) 0.941 11.512 ( 2.909 1.680 -5.561) 6.497 13.505 ( -14.872 -8.587 -19.063) 25.658 14.802 ( 21.083 12.173 3.983) 24.669 17.601 ( 1.354 0.782 18.024) 18.092 19.083 ( -0.107 -0.062 5.282) 5.283 19.618 ( -0.187 -0.108 -2.666) 2.675 20.985 ( 5.589 3.227 -2.077) 6.779 21.617 ( -11.951 -6.900 -3.403) 14.213======================= Grid point 930 (157/261) =======================q-point: (-0.47 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.558 ( -7.264 -4.194 -15.964) 18.033 5.132 ( -12.309 -7.107 -14.098) 20.020 6.784 ( -16.137 -9.317 17.161) 25.332 8.009 ( 2.624 1.515 17.048) 17.316 9.870 ( 17.590 10.156 -14.455) 24.930 10.344 ( 3.059 1.766 10.046) 10.649 10.992 ( -1.906 -1.100 -1.281) 2.546 11.505 ( -3.619 -2.089 -5.529) 6.931 13.333 ( 1.079 0.623 -16.221) 16.269 15.022 ( -3.555 -2.053 -2.397) 4.754 17.457 ( -11.883 -6.861 22.416) 26.282 19.094 ( 1.112 0.642 5.299) 5.452 19.597 ( -1.567 -0.905 -2.478) 3.069 21.074 ( -2.921 -1.686 -4.818) 5.881 21.516 ( 7.747 4.473 -0.445) 8.957======================= Grid point 931 (158/261) =======================q-point: (-0.41 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.350 ( -10.734 -6.197 -11.578) 16.961 4.824 ( -14.081 -8.130 -7.096) 17.741 6.423 ( -14.385 -8.305 13.884) 21.648 8.017 ( -2.037 -1.176 13.411) 13.615 10.114 ( -8.179 -4.722 -21.331) 23.329 10.371 ( 9.857 5.691 3.846) 12.014 11.013 ( 6.126 3.537 10.964) 13.048 11.344 ( -10.144 -5.857 -4.301) 12.478 13.506 ( 10.526 6.077 -9.525) 15.442 14.631 ( -28.090 -16.218 -7.830) 33.368 17.115 ( -17.036 -9.836 20.862) 28.674 19.134 ( 2.292 1.324 4.644) 5.345 19.550 ( -2.337 -1.349 -2.265) 3.524 20.942 ( -5.211 -3.009 0.967) 6.095 21.848 ( 16.752 9.672 -4.483) 19.856======================= Grid point 932 (159/261) =======================q-point: (-0.35 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.057 ( -14.510 -8.377 -5.968) 17.786 4.486 ( -14.753 -8.518 0.095) 17.036 6.133 ( -10.425 -6.019 7.425) 14.143 7.912 ( -7.044 -4.067 9.230) 12.303 9.648 ( -25.552 -14.752 -16.451) 33.781 10.735 ( 17.200 9.931 -3.070) 20.097 11.043 ( -15.548 -8.977 -2.028) 18.067 11.242 ( 11.775 6.798 16.882) 21.677 13.393 ( -34.639 -19.999 5.026) 40.312 14.128 ( -0.441 -0.255 -14.508) 14.517 16.681 ( -19.363 -11.179 12.471) 25.601 19.198 ( 3.127 1.806 3.508) 5.035 19.495 ( -2.217 -1.280 -2.128) 3.329 20.868 ( -1.571 -0.907 7.767) 7.976 22.209 ( 13.424 7.750 -9.723) 18.298======================= Grid point 933 (160/261) =======================q-point: (-0.29 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.678 ( -18.065 -10.430 1.695) 20.929 4.161 ( -12.631 -7.293 7.850) 16.564 5.939 ( -6.546 -3.780 0.168) 7.561 7.691 ( -11.854 -6.844 4.048) 14.274 9.027 ( -27.059 -15.623 -14.298) 34.362 10.639 ( -18.717 -10.806 0.911) 21.632 11.075 ( 6.809 3.931 0.985) 7.924 11.474 ( 6.270 3.620 13.925) 15.694 12.330 ( -44.024 -25.418 7.157) 51.336 14.265 ( 5.716 3.300 -0.334) 6.609 16.297 ( -11.493 -6.635 0.759) 13.292 19.274 ( 3.300 1.905 2.100) 4.351 19.452 ( -1.357 -0.783 -1.949) 2.501 20.835 ( -2.100 -1.212 13.505) 13.720 22.445 ( 6.413 3.703 -16.608) 18.184======================= Grid point 934 (161/261) =======================q-point: (-0.24 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.229 ( -20.177 -11.649 12.227) 26.312 3.928 ( -6.857 -3.959 17.854) 19.531 5.806 ( -5.681 -3.280 -7.306) 9.818 7.368 ( -15.734 -9.084 -2.572) 18.349 8.396 ( -28.157 -16.257 -8.148) 33.519 10.197 ( -18.748 -10.824 4.062) 22.026 10.483 ( -49.977 -28.854 0.521) 57.711 11.524 ( -5.628 -3.249 6.762) 9.378 11.980 ( 10.814 6.243 12.330) 17.548 14.381 ( 6.963 4.020 17.359) 19.131 16.213 ( 4.254 2.456 -9.204) 10.433 19.341 ( 2.120 1.224 -0.125) 2.451 19.438 ( 0.335 0.193 -0.791) 0.881 20.739 ( -6.691 -3.863 17.179) 18.836 22.485 ( -3.451 -1.992 -25.065) 25.380======================= Grid point 935 (162/261) =======================q-point: (-0.18 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.772 ( -18.139 -10.472 25.897) 33.307 3.860 ( 1.050 0.606 31.761) 31.784 5.633 ( -9.939 -5.738 -16.914) 20.440 6.970 ( -18.333 -10.584 -10.411) 23.590 7.599 ( -43.843 -25.313 11.422) 51.898 9.444 ( -31.654 -18.275 -13.404) 38.931 9.795 ( -15.319 -8.844 6.781) 18.944 11.145 ( -24.798 -14.317 1.731) 28.686 12.387 ( 20.132 11.623 13.370) 26.817 14.711 ( 22.941 13.245 30.177) 40.154 16.455 ( 15.657 9.040 -10.084) 20.701 19.363 ( 0.009 0.005 -2.606) 2.606 19.471 ( 2.118 1.223 1.090) 2.677 20.509 ( -13.190 -7.615 18.109) 23.662 22.254 ( -17.222 -9.943 -33.608) 39.051======================= Grid point 936 (163/261) =======================q-point: (-0.12 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.452 ( -7.665 -4.426 40.278) 41.239 3.936 ( 2.990 1.727 49.650) 49.770 5.324 ( -16.617 -9.594 -32.811) 38.010 6.413 ( -51.729 -29.866 37.590) 70.575 6.527 ( -19.560 -11.293 -18.161) 28.981 9.085 ( -2.636 -1.522 -29.301) 29.459 9.507 ( -9.187 -5.304 8.149) 13.377 10.488 ( -29.489 -17.025 -4.043) 34.290 12.832 ( 17.027 9.831 11.985) 23.026 15.470 ( 42.200 24.364 32.337) 58.482 16.917 ( 23.972 13.840 -1.973) 27.751 19.353 ( -0.819 -0.473 -2.891) 3.042 19.520 ( 1.904 1.099 1.351) 2.580 20.132 ( -18.890 -10.906 15.318) 26.654 21.644 ( -36.128 -20.859 -37.555) 56.131======================= Grid point 937 (164/261) =======================q-point: (-0.06 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.484 ( 11.049 6.379 47.333) 49.022 3.718 ( -27.943 -16.133 46.006) 56.193 4.967 ( -8.921 -5.151 17.124) 19.984 5.577 ( -15.042 -8.684 13.135) 21.776 6.074 ( -19.087 -11.020 -24.021) 32.600 9.165 ( 7.302 4.216 -35.084) 36.082 9.376 ( -2.110 -1.218 7.566) 7.949 9.856 ( -23.846 -13.768 -10.582) 29.499 13.139 ( 8.992 5.191 8.780) 13.598 16.568 ( 45.570 26.310 14.713) 54.638 17.607 ( 38.267 22.094 12.942) 46.043 19.327 ( -1.391 -0.803 -2.333) 2.833 19.555 ( 1.145 0.661 1.241) 1.813 19.674 ( -18.949 -10.940 8.005) 23.298 20.566 ( -55.368 -31.967 -27.178) 69.470======================= Grid point 939 (165/261) =======================q-point: ( 0.06 0.06 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.745 ( 33.807 1.816 32.587) 46.991 4.151 ( 24.997 10.899 49.914) 56.877 5.066 ( -4.866 8.963 -28.587) 30.352 5.875 ( 1.120 49.700 42.473) 65.385 6.457 ( 15.268 18.414 -22.384) 32.760 8.949 ( -10.928 -1.398 -22.297) 24.870 9.619 ( 16.121 5.215 1.366) 16.998 10.256 ( 12.147 29.678 -6.971) 32.817 12.955 ( -6.059 -14.534 10.232) 18.779 15.780 ( -23.353 -46.365 29.438) 59.680 17.066 ( -16.501 -27.548 1.671) 32.155 19.292 ( -4.328 2.989 -1.288) 5.416 19.545 ( 0.466 -1.797 0.932) 2.077 20.047 ( 15.087 19.754 13.627) 28.347 21.386 ( 22.376 41.134 -37.071) 59.724======================= Grid point 940 (166/261) =======================q-point: ( 0.12 0.06 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.514 ( 43.942 8.306 2.847) 44.811 4.811 ( 40.295 4.593 45.179) 60.712 5.037 ( -5.833 9.291 -27.966) 30.040 6.464 ( 4.407 45.672 35.579) 58.063 6.912 ( 14.580 20.760 -26.386) 36.603 8.878 ( -0.434 11.600 -3.672) 12.175 9.975 ( 15.061 10.811 -0.066) 18.539 10.815 ( 18.378 23.729 -1.208) 30.037 12.668 ( -8.453 -15.454 9.966) 20.238 15.038 ( -17.304 -25.576 32.898) 45.120 16.532 ( -17.644 -17.922 -8.976) 26.704 19.258 ( -3.393 3.653 0.002) 4.985 19.533 ( -0.013 -1.341 0.145) 1.349 20.510 ( 17.293 13.279 17.745) 28.111 22.021 ( 14.977 19.363 -37.405) 44.703======================= Grid point 941 (167/261) =======================q-point: ( 0.18 0.06 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.307 ( 36.240 2.004 -23.769) 43.386 5.117 ( -0.178 25.578 -22.229) 33.888 5.585 ( 44.771 -4.858 41.441) 61.200 6.802 ( -2.727 21.093 5.026) 21.854 7.407 ( 12.589 28.923 -14.972) 34.917 9.200 ( 14.066 24.451 22.986) 36.388 10.355 ( 13.130 15.751 -1.004) 20.531 11.269 ( 11.860 10.524 5.464) 16.771 12.394 ( -5.685 -11.868 7.260) 15.029 14.718 ( -0.608 -7.018 23.656) 24.682 16.118 ( -12.571 -10.000 -12.912) 20.609 19.243 ( -3.053 4.230 1.102) 5.331 19.523 ( -0.071 -0.091 -0.746) 0.754 20.878 ( 13.076 5.990 18.157) 23.163 22.316 ( 5.348 5.722 -31.203) 32.171======================= Grid point 942 (168/261) =======================q-point: ( 0.24 0.06 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.685 ( 10.342 -1.825 -31.486) 33.191 5.606 ( 19.436 25.957 -27.449) 42.485 6.180 ( 30.818 -9.942 29.129) 43.555 6.967 ( 1.393 23.507 -2.319) 23.662 7.886 ( 11.820 22.974 -4.073) 26.156 9.681 ( 11.945 16.892 33.716) 39.558 10.744 ( 10.682 19.522 -0.803) 22.268 11.423 ( 0.951 -2.092 13.896) 14.085 12.331 ( 9.040 1.927 2.391) 9.547 14.749 ( 2.884 -3.522 3.872) 5.976 15.983 ( 5.168 3.071 -5.009) 7.825 19.229 ( -3.701 4.441 2.188) 6.182 19.534 ( 0.472 1.743 -1.654) 2.449 21.072 ( 6.021 -0.657 15.106) 16.275 22.359 ( -1.444 -2.402 -22.956) 23.127======================= Grid point 943 (169/261) =======================q-point: ( 0.29 0.06 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.776 ( 2.077 1.189 -26.679) 26.786 5.945 ( -2.338 7.101 -29.767) 30.692 6.647 ( 31.704 -0.182 7.798) 32.650 7.345 ( 9.847 25.423 3.605) 27.501 8.281 ( 10.698 17.982 10.723) 23.512 9.892 ( 3.142 2.579 21.120) 21.507 11.088 ( 5.881 15.972 -1.320) 17.071 11.303 ( -6.002 -4.317 17.347) 18.857 12.825 ( 32.028 19.354 4.282) 37.666 14.583 ( -12.022 -11.966 -13.210) 21.499 16.388 ( 27.013 13.833 6.656) 31.070 19.203 ( -4.435 4.522 3.206) 7.099 19.571 ( 0.698 3.100 -2.287) 3.915 21.083 ( -0.772 -5.116 9.922) 11.190 22.242 ( -5.893 -7.249 -15.017) 17.686======================= Grid point 944 (170/261) =======================q-point: ( 0.35 0.06 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.801 ( -1.354 2.717 -21.687) 21.898 5.844 ( -12.401 4.309 -25.609) 28.778 7.112 ( 20.116 -3.769 3.884) 20.832 7.697 ( 3.008 18.859 7.368) 20.469 8.682 ( 16.307 18.151 15.677) 29.002 9.951 ( 4.910 -0.828 5.187) 7.190 11.049 ( -4.359 -7.726 9.407) 12.931 11.432 ( 2.168 20.692 0.027) 20.805 13.660 ( 35.557 19.146 7.025) 40.990 14.178 ( -16.366 -12.777 -17.245) 26.991 17.024 ( 27.976 10.250 11.237) 31.843 19.171 ( -4.520 4.887 4.113) 7.825 19.610 ( 0.142 2.753 -2.548) 3.754 20.982 ( -3.176 -5.176 4.582) 7.608 22.020 ( -9.248 -9.978 -9.032) 16.329======================= Grid point 945 (171/261) =======================q-point: ( 0.41 0.06 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.783 ( -4.639 3.990 -16.648) 17.737 5.644 ( -15.981 5.576 -22.647) 28.274 7.207 ( -1.786 -8.528 10.331) 13.514 7.867 ( 2.038 10.237 17.818) 20.650 9.197 ( 20.061 17.320 0.563) 26.509 10.065 ( 8.875 -1.770 2.315) 9.341 10.964 ( 1.199 -2.880 1.926) 3.666 11.639 ( -2.589 20.211 -1.930) 20.467 13.652 ( -15.868 -16.065 -19.111) 29.583 14.503 ( 28.505 16.404 6.465) 33.517 17.458 ( 14.362 -0.993 15.445) 21.114 19.149 ( -3.929 5.656 4.743) 8.362 19.627 ( -0.459 1.137 -2.534) 2.815 20.932 ( 2.103 -0.415 0.060) 2.145 21.735 ( -11.039 -10.274 -5.148) 15.935======================= Grid point 946 (172/261) =======================q-point: ( 0.47 0.06 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.717 ( -8.579 5.641 -11.481) 15.402 5.400 ( -18.575 5.573 -18.914) 27.089 6.959 ( -13.750 -9.357 16.100) 23.148 7.989 ( 2.517 5.115 18.037) 18.916 9.677 ( 17.315 12.944 -11.207) 24.350 10.191 ( 9.261 -5.777 6.229) 12.567 10.988 ( 1.140 -1.006 -4.164) 4.433 11.735 ( -9.711 19.417 -1.646) 21.772 13.311 ( -4.645 -10.658 -18.416) 21.779 14.972 ( 10.270 4.566 1.602) 11.353 17.488 ( -2.104 -11.642 20.450) 23.625 19.149 ( -3.076 6.526 4.955) 8.753 19.620 ( -1.151 0.451 -2.425) 2.722 21.033 ( 5.711 0.206 -4.072) 7.017 21.493 ( -4.197 -4.008 -1.419) 5.974======================= Grid point 948 (173/261) =======================q-point: (-0.47 0.06 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.595 ( -13.435 8.107 -6.273) 16.898 5.104 ( -20.818 3.705 -14.252) 25.499 6.605 ( -15.658 -8.149 14.898) 23.098 8.043 ( -0.774 1.985 15.505) 15.651 10.059 ( 12.458 7.193 -20.019) 24.652 10.234 ( 4.841 -10.332 6.663) 13.213 10.945 ( -1.224 -3.053 -0.250) 3.299 11.680 ( -17.471 17.071 -0.617) 24.435 13.328 ( 12.029 -1.227 -13.586) 18.187 14.887 ( -16.508 -11.015 -4.500) 20.349 17.234 ( -10.149 -14.504 22.438) 28.580 19.173 ( -1.909 6.839 4.716) 8.524 19.595 ( -2.600 0.954 -2.314) 3.609 20.986 ( -4.560 -6.059 -1.950) 7.830 21.640 ( 15.426 6.529 -2.491) 16.935======================= Grid point 949 (174/261) =======================q-point: (-0.41 0.06 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.409 ( -19.742 12.044 -2.046) 23.217 4.754 ( -21.426 0.664 -7.965) 22.868 6.277 ( -13.256 -5.962 9.614) 17.426 7.995 ( -5.487 -0.874 12.014) 13.237 9.877 ( -18.153 -16.419 -16.469) 29.502 10.467 ( 17.970 2.054 -4.386) 18.611 10.984 ( 7.481 -1.882 7.160) 10.525 11.505 ( -19.502 15.564 3.218) 25.158 13.532 ( 3.692 -5.261 -1.764) 6.665 14.295 ( -25.963 -14.247 -11.263) 31.684 16.863 ( -15.545 -14.524 17.014) 27.241 19.220 ( -0.577 6.769 3.970) 7.868 19.552 ( -3.779 1.733 -2.237) 4.720 20.875 ( -1.754 -3.535 4.483) 5.973 22.004 ( 17.230 5.457 -6.970) 19.371======================= Grid point 950 (175/261) =======================q-point: (-0.35 0.06 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.133 ( -28.299 15.244 -3.202) 32.303 4.404 ( -18.173 0.730 4.515) 18.739 6.031 ( -9.211 -4.084 3.226) 10.579 7.831 ( -10.535 -3.965 7.259) 13.394 9.308 ( -24.851 -18.373 -15.874) 34.744 10.688 ( 5.107 -9.969 -1.259) 11.271 11.080 ( 1.093 9.395 1.338) 9.553 11.428 ( -1.638 7.983 13.082) 15.413 12.878 ( -45.872 -27.320 6.784) 53.821 14.189 ( 7.436 4.814 -8.720) 12.430 16.439 ( -15.358 -12.304 6.997) 20.886 19.286 ( 0.368 6.387 2.852) 7.005 19.501 ( -3.902 1.637 -2.230) 4.783 20.842 ( -0.056 -1.400 10.847) 10.937 22.308 ( 12.523 2.162 -12.815) 18.048======================= Grid point 951 (176/261) =======================q-point: (-0.29 0.06 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.735 ( -32.981 13.499 -3.415) 35.800 4.162 ( -15.531 9.592 18.716) 26.144 5.863 ( -6.137 -4.050 -3.036) 7.955 7.553 ( -14.773 -7.065 0.640) 16.388 8.684 ( -25.395 -18.136 -12.404) 33.581 10.428 ( -17.734 -10.770 2.408) 20.887 11.009 ( -30.013 -11.574 4.206) 32.441 11.500 ( 5.065 -0.527 8.689) 10.071 12.006 ( -16.224 -4.969 10.405) 19.904 14.337 ( 3.631 4.435 7.376) 9.342 16.175 ( -2.515 -5.595 -4.759) 7.764 19.355 ( 0.388 5.636 1.298) 5.797 19.454 ( -2.379 0.370 -1.752) 2.977 20.809 ( -3.429 -0.775 15.617) 16.008 22.462 ( 4.277 -1.544 -20.360) 20.862======================= Grid point 952 (177/261) =======================q-point: (-0.24 0.06 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.292 ( -33.676 15.534 5.011) 37.423 4.063 ( -11.944 18.797 29.607) 37.049 5.697 ( -7.204 -8.240 -10.123) 14.909 7.190 ( -17.227 -8.497 -7.048) 20.461 8.023 ( -31.261 -20.333 -2.270) 37.361 9.804 ( -36.157 -26.608 3.631) 45.039 10.196 ( -32.382 0.381 0.851) 32.396 11.389 ( -14.810 -8.664 5.406) 17.989 12.154 ( 17.322 9.379 11.603) 22.862 14.497 ( 11.772 6.938 23.593) 27.264 16.246 ( 12.548 0.320 -11.208) 16.828 19.383 ( -1.919 1.319 -2.437) 3.371 19.452 ( 1.519 1.549 1.361) 2.561 20.683 ( -10.517 -0.819 18.101) 20.951 22.404 ( -7.736 -5.140 -29.010) 30.460======================= Grid point 953 (178/261) =======================q-point: (-0.18 0.06 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.915 ( -29.847 22.243 18.517) 41.575 4.121 ( -8.000 25.483 42.662) 50.333 5.409 ( -11.296 -16.945 -22.837) 30.599 6.789 ( -20.795 -8.702 -5.679) 23.247 7.076 ( -50.036 -22.486 13.082) 56.394 9.096 ( -14.025 -14.905 -12.666) 24.069 9.809 ( -20.065 7.171 2.347) 21.437 10.883 ( -29.657 -9.883 -0.459) 31.263 12.586 ( 20.232 7.477 12.305) 24.832 14.959 ( 32.229 9.513 32.644) 46.849 16.575 ( 22.825 2.206 -8.475) 24.447 19.346 ( -1.074 -2.755 -2.391) 3.803 19.502 ( 1.708 1.943 1.354) 2.920 20.421 ( -18.782 -0.176 17.635) 25.764 22.063 ( -24.973 -7.173 -36.378) 44.704======================= Grid point 958 (179/261) =======================q-point: ( 0.12 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.730 ( 38.028 13.581 -13.417) 42.551 4.679 ( 42.588 -6.109 37.484) 57.062 5.464 ( -4.884 20.091 -10.029) 22.980 7.021 ( 0.207 18.163 -8.084) 19.881 7.627 ( 3.072 39.644 -1.908) 39.809 9.361 ( 2.708 36.215 10.362) 37.766 10.274 ( 17.054 19.498 -0.206) 25.905 11.248 ( 5.759 17.381 4.825) 18.935 12.318 ( -2.994 -17.922 9.600) 20.551 14.631 ( -1.360 -13.886 25.741) 29.279 16.216 ( -11.156 -12.570 -12.321) 20.839 19.345 ( -2.329 4.762 -0.975) 5.390 19.502 ( 1.663 -1.667 0.536) 2.415 20.729 ( 10.916 8.038 18.425) 22.874 22.319 ( 2.727 9.681 -31.354) 32.927======================= Grid point 959 (180/261) =======================q-point: ( 0.18 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.394 ( 24.198 7.184 -28.298) 37.920 5.375 ( 38.291 -1.145 16.663) 41.775 5.700 ( 11.491 16.603 5.835) 21.018 7.195 ( -0.933 20.851 -10.638) 23.426 8.023 ( 3.614 29.626 -6.203) 30.483 9.774 ( 2.650 28.153 23.444) 36.732 10.781 ( 13.516 27.169 1.466) 30.380 11.393 ( 0.226 0.993 10.990) 11.037 12.195 ( 5.415 -4.906 5.024) 8.868 14.615 ( 6.706 -4.613 10.941) 13.636 15.989 ( -4.150 -1.616 -8.850) 9.908 19.353 ( -3.370 6.069 0.947) 7.006 19.532 ( 2.110 1.150 -1.001) 2.603 20.937 ( 7.967 -0.087 16.665) 18.472 22.365 ( -1.857 -1.059 -24.409) 24.502======================= Grid point 960 (181/261) =======================q-point: ( 0.24 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.725 ( 8.262 5.844 -25.021) 26.990 5.875 ( 18.965 -3.177 4.117) 19.665 6.178 ( 24.252 13.851 -1.107) 27.951 7.471 ( 5.888 26.560 -7.757) 28.289 8.363 ( 4.361 23.824 0.207) 24.221 9.935 ( -3.636 7.379 18.965) 20.672 11.209 ( -0.344 15.045 2.129) 15.199 11.332 ( 2.013 4.465 15.631) 16.381 12.517 ( 24.155 17.100 4.694) 29.965 14.595 ( -2.861 -11.555 -7.516) 14.078 16.130 ( 15.424 10.638 2.739) 18.936 19.346 ( -4.578 6.420 2.444) 8.255 19.594 ( 1.488 4.378 -2.095) 5.077 21.001 ( 3.133 -6.015 12.554) 14.269 22.255 ( -4.997 -7.819 -17.241) 19.580======================= Grid point 961 (182/261) =======================q-point: ( 0.29 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.862 ( 0.664 7.800 -17.607) 19.269 6.013 ( 0.688 0.544 -7.692) 7.742 6.707 ( 22.993 4.709 2.410) 23.593 7.871 ( 5.104 27.015 -9.511) 29.091 8.665 ( 7.113 19.046 11.889) 23.552 9.897 ( -1.218 -1.295 5.720) 5.990 11.053 ( -6.037 -9.228 9.218) 14.373 11.648 ( 2.617 28.016 3.335) 28.335 13.252 ( 33.268 21.316 8.617) 40.440 14.303 ( -13.027 -14.325 -15.567) 24.844 16.632 ( 26.432 9.332 9.352) 29.550 19.326 ( -5.323 7.013 3.387) 9.434 19.655 ( -0.505 5.084 -2.457) 5.669 20.949 ( -0.238 -7.554 7.307) 10.513 22.050 ( -7.058 -11.490 -11.082) 17.454======================= Grid point 962 (183/261) =======================q-point: ( 0.35 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.924 ( -3.442 9.890 -10.409) 14.765 5.962 ( -9.862 6.460 -14.644) 18.800 7.020 ( 12.462 -5.333 12.483) 18.428 8.077 ( -7.767 19.357 0.872) 20.876 9.063 ( 16.573 18.452 3.245) 25.013 9.913 ( 4.865 -2.612 -1.789) 5.804 10.916 ( -0.548 -4.722 2.412) 5.331 11.936 ( -1.986 27.974 1.337) 28.077 13.695 ( -5.564 -16.662 -13.382) 22.083 14.216 ( 20.595 17.886 4.650) 27.671 17.116 ( 21.901 -1.667 13.133) 25.591 19.308 ( -5.245 8.199 3.820) 10.456 19.668 ( -2.415 2.757 -2.334) 4.345 20.887 ( 1.099 -3.896 2.396) 4.704 21.791 ( -8.549 -12.104 -6.704) 16.265======================= Grid point 963 (184/261) =======================q-point: ( 0.41 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.943 ( -7.002 11.917 -3.479) 14.253 5.811 ( -16.702 9.722 -16.612) 25.484 7.022 ( -2.991 -9.533 16.895) 19.629 8.095 ( -6.504 12.816 10.969) 18.080 9.534 ( 16.051 15.439 -11.081) 24.875 9.977 ( 6.978 -6.575 1.030) 9.642 10.940 ( 3.831 0.817 -5.734) 6.944 12.139 ( -7.051 27.825 2.082) 28.780 13.294 ( -11.031 -18.956 -19.228) 29.167 14.789 ( 18.937 12.082 6.296) 23.329 17.299 ( 8.191 -14.574 17.672) 24.327 19.313 ( -5.062 10.198 3.718) 11.977 19.645 ( -1.446 0.601 -2.118) 2.634 20.926 ( 5.439 -1.080 -1.537) 5.754 21.539 ( -7.162 -8.077 -3.457) 11.335======================= Grid point 964 (185/261) =======================q-point: (-0.53 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.919 ( -10.665 13.921 3.539) 17.891 5.574 ( -22.107 10.105 -16.143) 29.179 6.783 ( -12.634 -7.560 14.203) 20.457 8.118 ( -3.734 8.132 13.927) 16.554 9.911 ( 13.040 9.558 -15.528) 22.416 10.015 ( 6.899 -10.939 0.992) 12.971 10.968 ( -2.433 -0.573 -8.470) 8.831 12.216 ( -17.179 26.319 3.747) 31.652 13.084 ( 7.677 -11.541 -17.362) 22.217 14.990 ( -3.666 -2.313 0.527) 4.367 17.165 ( -1.434 -19.314 21.626) 29.030 19.325 ( -5.284 9.946 3.654) 11.841 19.642 ( -0.633 2.063 -2.163) 3.055 20.960 ( 0.322 -6.857 -2.738) 7.390 21.485 ( 6.716 2.361 -1.899) 7.368======================= Grid point 965 (186/261) =======================q-point: (-0.47 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.853 ( -14.123 16.048 11.172) 24.121 5.247 ( -26.365 9.383 -16.123) 32.297 6.478 ( -15.052 -3.647 7.879) 17.376 8.102 ( -5.807 4.277 13.652) 15.440 9.925 ( -4.944 -15.322 -9.425) 18.656 10.196 ( 13.698 1.430 -10.749) 17.471 10.905 ( -0.249 -0.309 -1.801) 1.844 12.070 ( -24.115 19.120 2.492) 30.876 13.283 ( 17.745 -3.130 -8.567) 19.952 14.621 ( -25.888 -13.726 -4.297) 29.615 16.908 ( -7.292 -16.903 19.664) 26.936 19.338 ( -3.504 8.308 3.596) 9.707 19.648 ( -3.059 4.748 -2.321) 6.106 20.857 ( -1.805 -6.378 1.833) 6.877 21.747 ( 16.518 3.798 -4.924) 17.649======================= Grid point 966 (187/261) =======================q-point: (-0.41 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.750 ( -16.381 14.447 17.930) 28.258 4.865 ( -29.790 14.870 -17.332) 37.536 6.201 ( -13.877 -0.923 2.154) 14.074 7.988 ( -10.175 0.247 10.677) 14.750 9.519 ( -20.015 -18.408 -15.915) 31.507 10.415 ( 13.569 -6.830 -4.484) 15.839 11.013 ( 9.535 3.673 4.338) 11.100 11.806 ( -23.559 12.364 3.929) 26.895 13.267 ( -21.471 -18.242 7.664) 29.198 14.160 ( -4.333 0.478 -12.771) 13.494 16.565 ( -13.591 -14.058 12.128) 23.009 19.371 ( -1.663 7.092 3.188) 7.952 19.620 ( -5.796 4.801 -2.582) 7.957 20.808 ( 1.447 -2.738 7.904) 8.489 22.067 ( 16.282 1.129 -9.517) 18.893======================= Grid point 967 (188/261) =======================q-point: (-0.35 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.431 ( -27.541 8.289 -18.424) 34.156 4.679 ( -22.181 29.625 23.312) 43.739 5.976 ( -11.099 -0.985 -1.474) 11.239 7.748 ( -14.782 -4.519 4.242) 16.028 8.934 ( -24.461 -18.191 -14.834) 33.902 10.463 ( 0.956 -12.908 1.177) 12.997 11.238 ( 6.631 5.243 6.526) 10.680 11.507 ( -17.797 -0.857 7.296) 19.254 12.431 ( -39.414 -14.183 9.785) 43.016 14.309 ( 7.112 7.184 -3.907) 10.837 16.212 ( -10.773 -9.603 2.195) 14.598 19.416 ( -0.441 5.284 2.455) 5.843 19.546 ( -6.596 2.520 -2.683) 7.554 20.829 ( 1.174 0.668 13.264) 13.332 22.310 ( 11.115 -1.435 -15.673) 19.268======================= Grid point 968 (189/261) =======================q-point: (-0.29 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.050 ( -29.878 16.184 -21.069) 39.981 4.626 ( -20.528 34.609 32.462) 51.701 5.771 ( -10.300 -4.945 -4.056) 12.124 7.397 ( -16.933 -8.723 -5.259) 19.761 8.321 ( -25.921 -17.152 -9.536) 32.512 10.118 ( -23.650 -19.620 9.792) 32.251 10.820 ( -38.784 -4.023 4.399) 39.240 11.448 ( 0.863 -4.117 9.046) 9.977 12.050 ( 0.589 6.475 7.926) 10.252 14.455 ( 2.451 7.220 11.799) 14.048 16.070 ( 3.598 -4.809 -8.265) 10.217 19.439 ( -2.568 -2.215 -0.126) 3.394 19.470 ( -2.309 4.743 -0.495) 5.298 20.829 ( -4.236 3.226 16.861) 17.682 22.409 ( 2.394 -3.013 -23.293) 23.609======================= Grid point 976 (190/261) =======================q-point: ( 0.18 0.18 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.598 ( 16.753 12.905 -20.568) 29.499 5.329 ( 35.849 -1.859 22.881) 42.570 6.012 ( 13.507 13.761 -6.942) 20.494 7.635 ( 4.146 21.337 -2.721) 21.906 8.597 ( -0.821 28.080 -10.095) 29.851 10.168 ( -11.688 9.856 8.918) 17.699 11.292 ( -4.574 -9.080 12.206) 15.886 11.409 ( 9.353 30.705 4.434) 32.402 12.344 ( 17.140 21.840 7.664) 28.801 14.470 ( 3.370 -10.454 -3.067) 11.404 16.080 ( 2.789 10.255 0.290) 10.632 19.450 ( -1.071 2.682 2.041) 3.537 19.591 ( 4.681 5.221 -2.384) 7.406 20.885 ( 3.004 -4.542 13.999) 15.021 22.274 ( -6.285 -7.751 -17.450) 20.101======================= Grid point 977 (191/261) =======================q-point: ( 0.24 0.18 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.916 ( 5.783 12.924 -13.291) 19.420 5.776 ( 20.695 -4.094 17.878) 27.653 6.453 ( 18.107 11.341 -11.148) 24.099 7.999 ( 11.056 24.575 -5.688) 27.542 8.832 ( -2.263 22.441 -2.243) 22.666 9.996 ( -10.640 -0.020 2.001) 10.826 11.072 ( -6.794 -9.796 8.203) 14.470 11.864 ( 6.818 29.234 3.039) 30.172 12.973 ( 24.191 25.130 10.954) 36.562 14.328 ( -5.121 -12.757 -12.283) 18.434 16.357 ( 14.966 10.517 7.747) 19.865 19.455 ( -2.236 3.835 2.739) 5.216 19.715 ( 1.597 7.379 -2.838) 8.066 20.854 ( 1.269 -7.804 9.812) 12.601 22.053 ( -7.203 -11.858 -12.151) 18.443======================= Grid point 978 (192/261) =======================q-point: ( 0.29 0.18 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.091 ( -0.974 14.715 -5.213) 15.641 6.010 ( 8.872 -0.235 6.265) 10.864 6.779 ( 11.399 1.801 3.702) 12.120 8.418 ( 1.132 26.600 -15.454) 30.784 8.999 ( 5.655 12.869 7.654) 16.006 9.877 ( -2.625 0.201 -6.537) 7.047 10.902 ( -3.302 -4.501 1.765) 5.855 12.226 ( 1.694 27.373 0.567) 27.431 13.498 ( 12.927 -3.577 0.628) 13.427 14.195 ( 1.411 10.906 -3.061) 11.415 16.727 ( 19.296 -0.608 11.481) 22.461 19.452 ( -2.794 4.907 2.850) 6.325 19.770 ( -3.538 6.160 -2.767) 7.624 20.806 ( 2.190 -6.124 5.266) 8.369 21.802 ( -7.204 -12.432 -7.940) 16.416======================= Grid point 979 (193/261) =======================q-point: ( 0.35 0.18 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.193 ( -5.075 16.337 2.111) 17.237 6.080 ( -3.579 4.909 -4.028) 7.289 6.896 ( 5.316 -7.080 18.680) 20.672 8.477 ( -16.145 20.003 -4.410) 26.082 9.377 ( 19.081 11.516 -10.241) 24.527 9.862 ( 0.277 -1.935 -4.128) 4.567 10.896 ( 3.017 3.633 -6.853) 8.322 12.467 ( -1.292 20.165 -1.771) 20.284 13.322 ( -11.296 -15.206 -12.713) 22.813 14.618 ( 17.542 20.615 9.892) 28.820 16.945 ( 13.614 -15.230 14.946) 25.312 19.475 ( -1.416 7.833 1.953) 8.196 19.720 ( -6.459 2.453 -2.133) 7.231 20.820 ( 4.471 -3.366 1.534) 5.803 21.571 ( -6.306 -8.801 -4.918) 11.891======================= Grid point 980 (194/261) =======================q-point: ( 0.41 0.18 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.244 ( -8.499 17.327 8.599) 21.128 5.983 ( -13.841 6.140 -6.795) 16.596 6.839 ( -2.219 -8.119 19.009) 20.789 8.393 ( -13.600 16.866 1.892) 21.749 9.758 ( 13.622 0.152 -15.893) 20.933 9.845 ( 2.602 -0.173 -3.371) 4.262 11.008 ( 0.746 5.979 -12.866) 14.207 12.626 ( 4.585 9.707 -3.530) 11.301 12.981 ( -16.334 -2.167 -10.153) 19.354 14.999 ( 5.347 9.123 6.691) 12.514 16.905 ( 6.046 -23.204 19.084) 30.646 19.534 ( -5.780 10.568 1.390) 12.126 19.653 ( 0.399 0.817 -2.065) 2.256 20.855 ( 3.439 -5.913 -0.352) 6.849 21.446 ( -0.724 -1.209 -3.054) 3.364======================= Grid point 982 (195/261) =======================q-point: (-0.53 0.18 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.244 ( -11.721 17.324 14.340) 25.360 5.735 ( -19.846 4.463 -5.180) 20.990 6.684 ( -9.365 -1.752 7.804) 12.316 8.334 ( -11.718 13.580 6.633) 19.123 9.766 ( 3.872 -13.727 -1.808) 14.377 10.033 ( 8.261 2.180 -18.546) 20.419 10.975 ( -6.781 1.005 -12.248) 14.036 12.689 ( -24.168 13.747 -1.005) 27.822 12.900 ( 20.443 -0.708 -8.118) 22.007 14.906 ( -18.000 -5.350 2.136) 18.899 16.767 ( 2.985 -18.532 20.073) 27.483 19.486 ( -5.522 4.642 1.659) 7.403 19.737 ( 0.606 7.912 -2.386) 8.286 20.804 ( -0.310 -7.641 1.351) 7.766 21.542 ( 9.949 2.589 -3.913) 10.999======================= Grid point 983 (196/261) =======================q-point: (-0.47 0.18 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.161 ( -16.264 11.608 13.380) 24.048 5.441 ( -19.515 10.491 -1.171) 22.187 6.488 ( -14.738 4.743 -2.836) 15.740 8.228 ( -13.808 8.379 8.833) 18.409 9.594 ( -7.897 -17.414 -9.146) 21.196 10.145 ( 8.292 -6.039 -12.498) 16.169 10.926 ( 2.312 1.371 -3.308) 4.263 12.365 ( -26.128 8.652 -0.071) 27.523 13.226 ( 11.145 -1.298 0.540) 11.233 14.399 ( -24.779 -7.579 -3.213) 26.110 16.605 ( -5.318 -11.569 15.123) 19.769 19.464 ( -2.222 3.903 2.540) 5.159 19.780 ( -4.853 7.078 -3.073) 9.115 20.745 ( 1.496 -4.119 5.639) 7.142 21.793 ( 15.488 1.028 -6.983) 17.020======================= Grid point 984 (197/261) =======================q-point: (-0.41 0.18 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.895 ( -20.460 3.856 -6.286) 21.748 5.322 ( -15.900 24.207 15.281) 32.746 6.266 ( -17.793 7.336 -7.808) 20.769 8.004 ( -17.680 1.056 6.016) 18.705 9.153 ( -20.245 -17.633 -13.390) 30.001 10.221 ( 9.497 -11.618 -2.693) 15.245 11.073 ( 11.363 1.420 5.260) 12.602 11.950 ( -27.397 1.244 2.337) 27.525 12.966 ( -32.214 -8.464 12.174) 35.463 14.240 ( 6.726 5.680 -10.928) 14.033 16.347 ( -13.104 -6.258 8.363) 16.758 19.470 ( -1.181 2.280 2.631) 3.676 19.712 ( -8.224 3.035 -3.106) 9.300 20.786 ( 4.397 1.105 10.276) 11.232 22.066 ( 14.881 -0.754 -11.512) 18.829======================= Grid point 995 (198/261) =======================q-point: ( 0.24 0.24 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.224 ( 5.354 16.907 -0.796) 17.752 5.730 ( 19.216 -0.397 17.828) 26.215 6.626 ( 12.185 6.053 -5.535) 14.689 8.418 ( 19.560 16.424 -2.719) 25.685 9.230 ( -11.564 15.859 -4.058) 20.043 9.992 ( -8.747 0.738 -11.372) 14.366 10.927 ( -3.312 -3.328 -1.105) 4.823 12.400 ( 8.117 22.875 -1.784) 24.338 13.281 ( 7.761 -0.992 5.531) 9.582 14.292 ( 3.542 15.113 -3.005) 15.811 16.509 ( 5.897 3.868 11.725) 13.682 19.500 ( 0.476 1.147 2.343) 2.651 19.856 ( 2.329 5.482 -3.803) 7.067 20.722 ( -0.126 -4.573 7.379) 8.682 21.801 ( -7.176 -12.544 -8.130) 16.581======================= Grid point 996 (199/261) =======================q-point: ( 0.29 0.24 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.432 ( -1.482 18.475 5.433) 19.315 6.012 ( 12.768 0.408 12.012) 17.535 6.770 ( 3.173 -2.664 10.881) 11.643 8.905 ( 3.741 20.905 -17.084) 27.256 9.156 ( 3.014 3.410 0.866) 4.633 9.911 ( -4.329 2.173 -12.754) 13.643 10.920 ( 0.789 7.182 -9.081) 11.605 12.593 ( -2.299 1.724 -10.728) 11.106 13.323 ( 3.329 -1.390 0.493) 3.641 14.637 ( 8.529 27.084 9.947) 30.087 16.594 ( 7.941 -12.425 13.650) 20.094 19.525 ( 0.750 2.996 0.927) 3.224 19.874 ( -5.302 3.117 -3.840) 7.250 20.710 ( 3.278 -3.365 5.054) 6.900 21.584 ( -5.189 -8.538 -5.662) 11.484======================= Grid point 997 (200/261) =======================q-point: ( 0.35 0.24 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.555 ( -5.854 18.850 10.877) 22.537 6.146 ( 0.140 1.317 3.500) 3.742 6.740 ( 1.689 -7.999 23.951) 25.308 8.860 ( -17.153 17.558 -8.055) 25.834 9.486 ( 17.221 -0.547 -13.567) 21.930 9.859 ( -2.380 1.488 -12.589) 12.898 11.078 ( 2.536 14.174 -14.745) 20.609 12.440 ( 1.329 -20.353 -17.495) 26.872 13.374 ( -9.312 17.308 3.891) 20.035 15.036 ( 6.599 21.062 12.030) 25.137 16.530 ( 7.326 -24.860 16.147) 30.535 19.609 ( 4.074 5.356 -1.411) 6.876 19.762 ( -8.877 1.371 -2.707) 9.381 20.740 ( 3.510 -4.207 3.631) 6.572 21.459 ( -2.449 -2.542 -4.160) 5.456======================= Grid point 998 (201/261) =======================q-point: (-0.59 0.24 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.606 ( -9.496 17.522 14.579) 24.693 6.023 ( -12.365 -2.271 4.843) 13.473 6.716 ( 2.096 -3.792 18.161) 18.670 8.762 ( -15.840 19.288 -6.349) 25.754 9.572 ( 2.967 -12.377 -5.129) 13.722 9.930 ( 5.993 2.332 -20.167) 21.167 11.148 ( -9.013 6.151 -17.584) 20.695 12.423 ( 18.895 -13.962 -17.677) 29.402 13.301 ( -19.479 18.362 6.632) 27.579 15.159 ( -11.481 6.093 8.676) 15.627 16.443 ( 11.346 -19.842 18.544) 29.433 19.611 ( -6.305 -0.616 -1.381) 6.484 19.776 ( 4.280 8.270 -3.105) 9.816 20.728 ( 0.860 -5.497 3.816) 6.747 21.454 ( 2.821 1.096 -3.945) 4.972======================= Grid point 999 (202/261) =======================q-point: (-0.53 0.24 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.531 ( -15.423 5.819 11.126) 19.888 5.785 ( -12.293 5.820 11.491) 17.805 6.704 ( -3.747 2.784 4.894) 6.764 8.656 ( -19.057 17.664 -3.329) 26.197 9.455 ( 1.291 -17.370 -3.949) 17.860 10.009 ( 3.137 -3.901 -17.948) 18.633 10.976 ( -8.328 -1.629 -12.508) 15.114 12.654 ( 6.895 -4.556 -14.650) 16.820 13.154 ( -8.361 13.240 7.101) 17.194 14.785 ( -26.698 -6.933 6.507) 28.340 16.505 ( 7.152 -5.257 15.998) 18.296 19.528 ( -3.016 0.551 0.785) 3.165 19.892 ( 0.023 4.874 -4.283) 6.488 20.688 ( 0.556 -2.931 5.416) 6.183 21.577 ( 9.898 0.948 -5.320) 11.277======================= Grid point 1013 (203/261) =======================q-point: ( 0.29 0.29 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.791 ( 1.946 15.193 10.771) 18.725 6.025 ( 10.834 1.374 13.151) 17.095 6.683 ( -2.833 -5.496 19.879) 20.818 9.145 ( 21.534 1.272 -10.510) 23.996 9.279 ( -13.120 11.363 -8.671) 19.402 9.923 ( -3.695 -1.285 -19.601) 19.988 11.180 ( 5.922 16.989 -16.992) 24.747 12.287 ( -11.563 -23.438 -18.647) 32.105 13.525 ( 10.640 13.596 6.947) 18.609 15.172 ( 7.491 24.349 12.715) 28.472 16.260 ( -6.145 -18.969 15.654) 25.351 19.599 ( 2.544 4.687 -1.688) 5.594 19.863 ( -3.058 -4.202 -5.037) 7.238 20.674 ( 0.505 -0.342 6.377) 6.406 21.468 ( -1.706 -3.168 -4.473) 5.740======================= Grid point 1014 (204/261) =======================q-point: ( 0.35 0.29 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.909 ( -5.818 14.719 12.665) 20.271 6.114 ( -1.112 -4.727 8.492) 9.783 6.601 ( 3.000 -4.694 28.157) 28.703 9.169 ( -10.179 12.842 -9.325) 18.854 9.401 ( 6.116 -7.035 -8.993) 12.953 9.886 ( 0.739 0.504 -25.360) 25.376 11.423 ( -7.988 17.887 -18.559) 26.985 11.963 ( 11.062 -22.299 -19.118) 31.386 13.688 ( -6.434 9.892 6.984) 13.712 15.460 ( -7.965 19.794 13.783) 25.401 16.014 ( 10.621 -23.482 16.167) 30.423 19.689 ( -1.379 2.412 -3.663) 4.598 19.767 ( 0.561 -0.584 -4.354) 4.429 20.678 ( 0.702 -1.567 6.807) 7.021 21.440 ( 0.035 -0.107 -4.196) 4.197======================= Grid point 1228 (205/261) =======================q-point: ( 0.00 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 261Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.622 ( 0.000 0.000 23.285) 23.285 3.622 ( 0.000 -0.000 23.285) 23.285 5.189 ( 0.000 0.000 -17.844) 17.844 5.189 ( 0.000 -0.000 -17.844) 17.844 6.138 ( -0.000 0.000 48.019) 48.019 8.390 ( -0.000 0.000 -40.860) 40.860 9.477 ( 0.000 0.000 2.010) 2.010 9.477 ( 0.000 -0.000 2.010) 2.010 13.338 ( 0.000 0.000 2.491) 2.491 17.199 ( 0.000 0.000 1.441) 1.441 18.590 ( -0.000 0.000 1.343) 1.343 19.271 ( 0.000 0.000 -0.508) 0.508 19.271 ( 0.000 -0.000 -0.508) 0.508 19.585 ( 0.000 0.000 0.339) 0.339 19.585 ( -0.000 -0.000 0.339) 0.339======================= Grid point 1229 (206/261) =======================q-point: ( 0.06 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.560 ( 6.754 3.899 41.142) 41.875 3.921 ( 8.837 5.102 -13.281) 16.748 5.141 ( 8.540 4.931 10.791) 14.618 5.437 ( 14.040 8.106 -27.425) 31.858 6.343 ( 14.602 8.430 40.636) 43.996 8.366 ( -0.742 -0.428 -33.835) 33.846 9.573 ( 6.649 3.839 -1.500) 7.823 9.709 ( 20.452 11.808 2.402) 23.738 13.251 ( -7.463 -4.309 2.487) 8.969 16.748 ( -31.630 -18.261 3.862) 36.726 17.787 ( -43.666 -25.210 3.809) 50.564 19.256 ( -0.609 -0.352 0.925) 1.162 19.577 ( -0.761 -0.439 0.088) 0.883 19.877 ( 30.078 17.366 10.323) 36.233 20.156 ( 38.396 22.168 -16.239) 47.216======================= Grid point 1230 (207/261) =======================q-point: ( 0.12 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.808 ( 13.344 7.704 31.239) 34.832 4.025 ( 1.792 1.035 -36.048) 36.108 5.559 ( 24.883 14.366 29.078) 40.879 5.896 ( 22.694 13.102 -34.406) 43.249 6.706 ( 15.723 9.078 38.195) 42.290 8.470 ( 12.842 7.415 -16.853) 22.449 9.778 ( 10.815 6.244 -3.992) 13.111 10.335 ( 31.111 17.962 1.532) 35.957 13.001 ( -13.619 -7.863 1.631) 15.810 15.994 ( -30.362 -17.529 11.564) 36.917 16.829 ( -37.283 -21.525 -2.524) 43.125 19.245 ( -0.368 -0.213 2.040) 2.084 19.551 ( -1.382 -0.798 -0.290) 1.622 20.555 ( 26.521 15.312 17.486) 35.264 20.981 ( 30.861 17.818 -25.494) 43.815======================= Grid point 1231 (208/261) =======================q-point: ( 0.18 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.066 ( 2.409 1.391 -36.263) 36.369 4.179 ( 18.696 10.794 5.785) 22.350 6.193 ( 28.230 16.298 28.518) 43.311 6.279 ( 7.480 4.319 -38.286) 39.249 7.115 ( 21.005 12.127 34.709) 42.344 9.047 ( 35.825 20.684 7.210) 41.991 10.066 ( 13.740 7.933 -4.963) 16.623 11.035 ( 26.433 15.261 2.455) 30.621 12.652 ( -15.263 -8.812 -1.326) 17.674 15.398 ( -20.655 -11.925 15.032) 28.192 16.113 ( -23.070 -13.319 -8.348) 27.916 19.240 ( -0.099 -0.057 2.730) 2.732 19.516 ( -1.500 -0.866 -0.888) 1.946 21.053 ( 15.763 9.101 13.538) 22.684 21.572 ( 20.166 11.643 -21.075) 31.407======================= Grid point 1232 (209/261) =======================q-point: ( 0.24 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.143 ( 4.023 2.323 -30.851) 31.198 4.651 ( 20.723 11.965 -18.859) 30.468 6.322 ( -0.233 -0.134 -26.837) 26.839 6.825 ( 25.557 14.756 24.475) 38.340 7.662 ( 24.947 14.403 23.156) 36.960 9.954 ( 36.163 20.879 27.693) 50.106 10.404 ( 15.085 8.709 -4.642) 18.026 11.476 ( 11.904 6.873 2.752) 14.018 12.365 ( -7.486 -4.322 -4.677) 9.828 14.998 ( -15.745 -9.090 2.422) 18.341 15.839 ( 1.534 0.886 -1.599) 2.386 19.237 ( -0.248 -0.143 3.138) 3.151 19.489 ( -0.740 -0.427 -1.738) 1.936 21.284 ( 4.454 2.572 5.131) 7.265 21.927 ( 10.537 6.083 -11.609) 16.817======================= Grid point 1233 (210/261) =======================q-point: ( 0.29 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.244 ( 4.423 2.554 -24.763) 25.284 5.054 ( 12.020 6.940 -34.065) 36.784 6.402 ( 9.069 5.236 -19.037) 21.727 7.361 ( 20.361 11.755 20.430) 31.146 8.246 ( 25.041 14.458 20.925) 35.692 10.421 ( 2.129 1.229 30.562) 30.660 10.753 ( 14.572 8.413 -3.738) 17.237 11.636 ( -1.258 -0.727 5.849) 6.027 12.499 ( 24.890 14.371 -2.071) 28.816 14.601 ( -18.686 -10.788 -9.952) 23.762 16.177 ( 24.956 14.409 3.858) 29.074 19.224 ( -0.875 -0.505 3.316) 3.467 19.488 ( 0.690 0.398 -2.528) 2.650 21.283 ( -3.929 -2.269 -0.129) 4.539 22.067 ( 1.695 0.979 -5.493) 5.831======================= Grid point 1234 (211/261) =======================q-point: ( 0.35 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.338 ( 3.523 2.034 -19.030) 19.460 5.190 ( 0.948 0.548 -31.468) 31.487 6.740 ( 17.983 10.382 -20.723) 29.336 7.765 ( 14.451 8.343 16.612) 23.546 8.803 ( 22.006 12.705 23.742) 34.776 10.272 ( -9.433 -5.446 17.885) 20.941 11.066 ( 12.132 7.005 -2.969) 14.320 11.442 ( -11.792 -6.808 7.432) 15.513 13.353 ( 41.128 23.745 6.415) 47.922 14.139 ( -20.434 -11.797 -12.862) 26.873 16.855 ( 30.617 17.677 2.835) 35.467 19.199 ( -1.127 -0.651 3.261) 3.511 19.516 ( 1.549 0.894 -2.846) 3.362 21.138 ( -7.602 -4.389 -1.198) 8.860 22.015 ( -5.951 -3.436 -3.488) 7.706======================= Grid point 1235 (212/261) =======================q-point: ( 0.41 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.400 ( 1.689 0.975 -13.764) 13.901 5.160 ( -2.755 -1.591 -21.639) 21.872 7.127 ( 13.230 7.638 -17.068) 22.906 8.035 ( 8.903 5.140 12.815) 16.429 9.192 ( 9.850 5.687 21.484) 24.309 10.172 ( 3.456 1.995 8.054) 8.989 11.186 ( -9.137 -5.275 5.853) 12.065 11.303 ( 8.014 4.627 -2.639) 9.623 13.607 ( -19.950 -11.518 -13.993) 26.953 14.296 ( 33.326 19.241 9.293) 39.588 17.491 ( 22.120 12.771 1.837) 25.608 19.177 ( -0.761 -0.439 3.126) 3.247 19.551 ( 1.278 0.738 -2.640) 3.025 20.983 ( -4.465 -2.578 0.209) 5.160 21.811 ( -10.943 -6.318 -3.495) 13.110======================= Grid point 1236 (213/261) =======================q-point: ( 0.47 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.412 ( -0.725 -0.418 -8.827) 8.867 5.081 ( -3.879 -2.240 -11.510) 12.351 7.283 ( -0.580 -0.335 -0.431) 0.796 8.184 ( 4.017 2.319 8.888) 10.026 9.329 ( 5.435 3.138 1.251) 6.399 10.369 ( 9.094 5.250 6.368) 12.281 11.046 ( -2.805 -1.619 3.339) 4.652 11.430 ( 2.734 1.578 -2.548) 4.057 13.204 ( -12.247 -7.071 -10.993) 17.911 14.892 ( 15.880 9.168 4.829) 18.962 17.818 ( 5.559 3.210 4.333) 7.745 19.166 ( -0.091 -0.053 2.854) 2.856 19.569 ( 0.201 0.116 -1.969) 1.982 20.967 ( 2.642 1.526 0.315) 3.067 21.557 ( -9.057 -5.229 -2.594) 10.775======================= Grid point 1237 (214/261) =======================q-point: (-0.47 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.364 ( -3.454 -1.994 -3.927) 5.597 4.980 ( -4.906 -2.833 -1.303) 5.813 7.115 ( -12.687 -7.325 15.210) 21.118 8.224 ( -0.575 -0.332 4.805) 4.851 9.518 ( 10.155 5.863 -16.859) 20.536 10.444 ( -3.820 -2.206 -0.921) 4.507 11.045 ( 2.914 1.683 3.859) 5.120 11.426 ( -3.077 -1.776 -2.213) 4.185 13.129 ( 6.379 3.683 -3.807) 8.292 14.972 ( -9.559 -5.519 -3.274) 11.513 17.767 ( -9.215 -5.320 9.565) 14.308 19.173 ( 0.667 0.385 2.282) 2.409 19.559 ( -1.071 -0.618 -1.024) 1.605 20.998 ( -1.688 -0.975 -2.854) 3.456 21.522 ( 7.444 4.298 1.037) 8.658======================= Grid point 1238 (215/261) =======================q-point: (-0.41 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.251 ( -6.249 -3.608 1.395) 7.350 4.850 ( -6.299 -3.637 9.458) 11.931 6.756 ( -17.049 -9.843 19.653) 27.817 8.155 ( -5.476 -3.162 0.583) 6.350 9.653 ( -4.773 -2.756 -25.103) 25.701 10.321 ( 0.791 0.457 -6.665) 6.728 11.200 ( 9.987 5.766 5.336) 12.707 11.288 ( -8.717 -5.033 -1.190) 10.136 13.435 ( 17.247 9.957 2.881) 20.122 14.474 ( -31.574 -18.229 -8.793) 37.504 17.414 ( -20.782 -11.998 9.881) 25.951 19.197 ( 1.399 0.808 1.325) 2.090 19.523 ( -1.904 -1.100 -0.092) 2.201 20.967 ( 0.671 0.387 1.460) 1.653 21.791 ( 12.934 7.467 -1.243) 14.987======================= Grid point 1239 (216/261) =======================q-point: (-0.35 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.076 ( -8.780 -5.069 7.690) 12.725 4.684 ( -8.057 -4.651 19.620) 21.714 6.370 ( -15.274 -8.818 16.629) 24.240 7.965 ( -10.944 -6.318 -3.859) 13.213 9.260 ( -23.976 -13.843 -22.836) 35.888 10.575 ( 16.502 9.528 -12.702) 22.901 11.029 ( -13.366 -7.717 0.701) 15.450 11.467 ( 11.798 6.812 5.302) 14.619 13.440 ( -39.264 -22.669 -1.271) 45.356 13.987 ( 12.968 7.487 0.950) 15.004 16.843 ( -26.853 -15.503 4.341) 31.309 19.236 ( 1.880 1.085 -0.029) 2.171 19.477 ( -1.856 -1.071 0.661) 2.243 21.032 ( 4.099 2.367 8.399) 9.641 22.049 ( 8.481 4.896 -6.104) 11.539======================= Grid point 1240 (217/261) =======================q-point: (-0.29 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.849 ( -10.544 -6.088 15.464) 19.682 4.482 ( -8.975 -5.182 24.352) 26.465 6.073 ( -10.150 -5.860 13.232) 17.677 7.645 ( -16.562 -9.562 -8.780) 21.043 8.673 ( -25.410 -14.671 -21.566) 36.414 10.682 ( -16.141 -9.319 3.274) 18.924 10.904 ( 5.647 3.260 -18.162) 19.298 11.650 ( 0.244 0.141 4.272) 4.281 12.438 ( -34.950 -20.179 4.217) 40.577 14.385 ( 17.311 9.994 10.916) 22.775 16.261 ( -20.795 -12.006 -3.953) 24.335 19.278 ( 1.565 0.903 -1.802) 2.552 19.445 ( -0.643 -0.371 1.386) 1.573 21.114 ( 2.116 1.222 14.243) 14.451 22.157 ( 0.376 0.217 -12.088) 12.096======================= Grid point 1241 (218/261) =======================q-point: (-0.24 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.598 ( -10.715 -6.186 24.869) 27.777 4.299 ( -5.873 -3.391 18.887) 20.067 5.879 ( -7.641 -4.411 15.212) 17.585 7.202 ( -21.360 -12.332 -14.429) 28.576 8.110 ( -22.725 -13.120 -20.624) 33.375 10.299 ( -16.387 -9.461 5.910) 19.823 10.361 ( -48.191 -27.823 -13.757) 57.322 11.531 ( -8.354 -4.823 -2.991) 10.099 12.211 ( 8.971 5.180 10.723) 14.909 14.781 ( 17.723 10.232 20.596) 29.034 15.988 ( -1.159 -0.669 -12.902) 12.972 19.301 ( 0.351 0.203 -3.249) 3.274 19.454 ( 1.312 0.758 1.734) 2.303 21.096 ( -4.244 -2.451 18.583) 19.219 22.051 ( -9.859 -5.692 -18.700) 21.893======================= Grid point 1242 (219/261) =======================q-point: (-0.18 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.374 ( -7.993 -4.615 34.894) 36.094 4.247 ( 1.967 1.136 4.473) 5.016 5.645 ( -14.263 -8.235 21.153) 26.808 6.668 ( -24.230 -13.989 -20.554) 34.717 7.600 ( -22.697 -13.104 -13.031) 29.269 9.198 ( -44.849 -25.893 -10.188) 52.779 9.941 ( -14.002 -8.084 7.631) 17.879 11.107 ( -26.891 -15.526 -4.184) 31.332 12.573 ( 18.587 10.731 6.706) 22.485 15.267 ( 25.012 14.441 23.911) 37.495 16.210 ( 19.379 11.188 -13.890) 26.337 19.301 ( -0.209 -0.121 -3.460) 3.469 19.496 ( 2.052 1.185 1.264) 2.685 20.896 ( -13.325 -7.693 21.020) 26.050 21.687 ( -21.659 -12.505 -24.395) 34.937======================= Grid point 1243 (220/261) =======================q-point: (-0.12 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.259 ( -1.210 -0.699 42.052) 42.075 4.384 ( 8.169 4.717 -20.428) 22.500 5.161 ( -26.537 -15.321 32.378) 44.579 6.099 ( -24.244 -13.997 -25.825) 38.087 6.982 ( -29.375 -16.959 14.982) 37.080 8.501 ( -14.571 -8.412 -23.953) 29.271 9.664 ( -9.561 -5.520 7.541) 13.369 10.403 ( -31.170 -17.996 -4.516) 36.274 12.978 ( 15.160 8.753 4.069) 17.972 15.949 ( 33.168 19.150 15.601) 41.355 16.848 ( 34.776 20.078 -4.004) 40.355 19.294 ( -0.344 -0.198 -2.973) 2.999 19.541 ( 1.723 0.995 0.822) 2.152 20.472 ( -23.036 -13.300 19.619) 33.052 21.042 ( -33.676 -19.443 -25.370) 46.429======================= Grid point 1244 (221/261) =======================q-point: (-0.06 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.340 ( 8.344 4.818 40.359) 41.493 4.198 ( -29.160 -16.835 -13.754) 36.372 4.888 ( 10.750 6.206 16.921) 20.986 5.570 ( -20.522 -11.848 -27.190) 36.067 6.384 ( -19.786 -11.423 38.582) 44.839 8.373 ( -0.001 -0.000 -35.666) 35.666 9.505 ( -4.053 -2.340 5.432) 7.171 9.764 ( -21.746 -12.555 -2.835) 25.269 13.248 ( 7.834 4.523 2.787) 9.465 16.743 ( 32.357 18.681 4.366) 37.617 17.777 ( 43.665 25.210 4.719) 50.641 19.285 ( -0.497 -0.287 -1.926) 2.010 19.573 ( 0.969 0.560 0.550) 1.247 19.859 ( -28.340 -16.362 11.029) 34.533 20.162 ( -39.792 -22.974 -15.836) 48.600======================= Grid point 1246 (222/261) =======================q-point: ( 0.06 0.06 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.396 ( 13.586 -8.105 30.127) 34.028 4.407 ( -5.880 22.968 -27.454) 36.274 5.050 ( 22.205 2.056 34.487) 41.068 5.919 ( 9.419 27.562 -26.652) 39.481 6.706 ( 5.900 27.022 30.993) 41.540 8.418 ( 3.625 8.195 -24.943) 26.504 9.667 ( 9.637 7.547 2.160) 12.430 10.175 ( 14.288 30.586 -1.912) 33.813 13.074 ( -6.846 -13.160 2.816) 15.099 16.175 ( -18.128 -33.954 10.866) 39.994 17.069 ( -22.823 -39.029 -0.609) 45.217 19.275 ( -1.450 1.368 -0.480) 2.051 19.557 ( -0.381 -1.406 0.305) 1.488 20.351 ( 17.745 25.348 17.465) 35.531 20.799 ( 18.499 35.793 -24.353) 47.079======================= Grid point 1247 (223/261) =======================q-point: ( 0.12 0.06 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.597 ( 18.851 -8.271 0.035) 20.586 4.546 ( -6.395 27.635 -15.163) 32.164 5.621 ( 37.553 4.125 31.218) 49.009 6.289 ( 4.513 14.200 -29.918) 33.423 7.106 ( 7.869 29.014 25.294) 39.288 8.790 ( 21.029 26.203 -4.022) 33.838 9.954 ( 11.695 11.828 -2.249) 16.785 10.800 ( 21.699 25.771 0.546) 33.694 12.765 ( -11.241 -15.177 1.250) 18.928 15.561 ( -17.298 -23.461 17.141) 33.815 16.336 ( -22.394 -24.273 -8.566) 34.118 19.270 ( -1.278 2.413 1.191) 2.978 19.532 ( -1.003 -1.063 -0.246) 1.482 20.870 ( 17.071 14.258 17.613) 28.371 21.405 ( 16.625 21.860 -24.701) 36.938======================= Grid point 1248 (224/261) =======================q-point: ( 0.18 0.06 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.872 ( 18.721 -3.898 -21.350) 28.662 4.771 ( -0.602 30.051 -13.554) 32.972 6.317 ( 20.266 -3.661 22.196) 30.279 6.394 ( 14.623 12.816 -22.065) 29.410 7.564 ( 12.107 26.960 18.355) 34.790 9.597 ( 32.247 31.698 16.685) 48.198 10.308 ( 12.525 17.051 -3.641) 21.468 11.333 ( 14.569 12.709 2.611) 19.509 12.432 ( -9.027 -12.190 -2.356) 15.350 15.121 ( -11.943 -14.879 11.828) 22.448 15.876 ( -8.946 -8.275 -7.730) 14.431 19.276 ( -1.590 3.632 2.280) 4.574 19.505 ( -1.117 -0.155 -1.082) 1.563 21.196 ( 9.128 4.455 10.631) 14.703 21.810 ( 11.178 10.719 -16.837) 22.876======================= Grid point 1249 (225/261) =======================q-point: ( 0.24 0.06 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.136 ( 11.543 2.995 -24.381) 27.141 5.101 ( 3.658 26.019 -25.157) 36.377 6.324 ( 2.613 -0.354 -16.650) 16.857 7.048 ( 28.704 11.844 19.338) 36.581 8.064 ( 16.696 22.398 16.309) 32.348 10.261 ( 15.262 6.633 23.365) 28.685 10.744 ( 10.247 24.919 2.835) 27.093 11.577 ( 6.968 2.041 3.125) 7.905 12.318 ( 7.475 2.548 -3.720) 8.730 14.767 ( -14.106 -13.611 -4.382) 20.086 15.937 ( 15.324 8.821 1.690) 17.762 19.280 ( -2.768 4.393 3.010) 6.001 19.498 ( -0.348 1.441 -2.098) 2.568 21.285 ( 0.661 -2.686 3.193) 4.225 22.015 ( 5.102 2.022 -8.601) 10.203======================= Grid point 1250 (226/261) =======================q-point: ( 0.29 0.06 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.334 ( 4.621 8.640 -18.303) 20.761 5.320 ( -4.607 17.022 -32.500) 36.977 6.514 ( 16.318 5.563 -16.321) 23.740 7.584 ( 18.760 12.101 16.894) 27.996 8.587 ( 19.455 18.052 18.747) 32.493 10.297 ( -3.782 -10.910 19.140) 22.353 11.061 ( 3.208 17.397 -0.841) 17.710 11.551 ( -6.147 -4.717 7.794) 10.990 12.901 ( 37.139 24.232 3.450) 44.479 14.343 ( -17.932 -14.534 -11.589) 25.828 16.483 ( 29.685 15.056 3.340) 33.452 19.267 ( -3.865 4.596 3.213) 6.810 19.521 ( 0.294 2.990 -2.671) 4.020 21.193 ( -4.852 -6.496 -0.347) 8.115 22.034 ( -1.291 -4.510 -4.431) 6.453======================= Grid point 1251 (227/261) =======================q-point: ( 0.35 0.06 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.474 ( -0.590 12.355 -11.639) 16.984 5.320 ( -9.951 11.153 -26.904) 30.777 6.914 ( 19.100 6.812 -18.381) 27.369 7.947 ( 10.256 10.234 13.452) 19.771 9.059 ( 14.989 11.888 22.145) 29.264 10.102 ( -1.324 -10.219 9.715) 14.162 11.139 ( -2.134 -7.018 0.073) 7.336 11.491 ( -4.639 18.360 5.019) 19.591 13.716 ( 8.312 -1.109 -5.546) 10.054 13.975 ( 10.209 8.455 0.731) 13.276 17.152 ( 29.184 10.923 2.086) 31.231 19.244 ( -4.064 4.846 3.114) 7.050 19.557 ( 0.056 2.990 -2.656) 4.000 21.029 ( -5.285 -5.973 -0.386) 7.985 21.892 ( -6.913 -8.580 -3.442) 11.544======================= Grid point 1252 (228/261) =======================q-point: ( 0.41 0.06 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.561 ( -5.472 15.122 -6.321) 17.279 5.234 ( -10.648 8.277 -18.341) 22.766 7.220 ( 8.851 1.745 -8.924) 12.690 8.154 ( 4.134 6.532 10.376) 12.939 9.289 ( 4.043 4.387 11.751) 13.179 10.147 ( 13.069 -4.651 4.950) 14.729 11.006 ( -0.860 -8.347 1.218) 8.479 11.639 ( -5.813 24.244 1.744) 24.992 13.328 ( -15.400 -15.947 -13.326) 25.866 14.649 ( 25.333 15.310 7.891) 30.634 17.633 ( 17.408 0.803 2.535) 17.610 19.227 ( -3.607 5.205 2.865) 6.951 19.578 ( -0.361 1.708 -2.125) 2.750 20.940 ( 0.326 -1.589 0.611) 1.733 21.650 ( -9.265 -9.034 -3.270) 13.347======================= Grid point 1253 (229/261) =======================q-point: ( 0.47 0.06 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.583 ( -10.711 17.127 -2.920) 20.411 5.123 ( -10.226 5.851 -8.274) 14.397 7.219 ( -6.332 -5.687 8.460) 12.001 8.239 ( 0.356 3.106 6.983) 7.651 9.423 ( 7.234 6.041 -9.206) 13.175 10.297 ( 9.719 -10.673 2.334) 14.622 10.962 ( 2.311 -4.675 0.374) 5.228 11.731 ( -12.651 24.143 0.614) 27.264 13.043 ( 0.188 -8.783 -8.001) 11.883 15.003 ( 3.569 1.873 1.100) 4.178 17.755 ( 2.202 -9.264 7.066) 11.858 19.225 ( -2.890 5.687 2.369) 6.805 19.580 ( -0.990 0.926 -1.394) 1.944 20.979 ( 2.555 -1.045 -1.459) 3.122 21.472 ( -0.813 -2.442 -0.650) 2.655======================= Grid point 1255 (230/261) =======================q-point: (-0.47 0.06 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.525 ( -15.942 17.008 -1.595) 23.366 4.999 ( -9.907 4.695 4.330) 11.787 6.937 ( -15.057 -10.105 18.019) 25.564 8.228 ( -4.149 0.819 3.106) 5.247 9.630 ( 6.604 4.080 -21.806) 23.147 10.243 ( 0.935 -14.041 -4.268) 14.705 10.989 ( 7.034 -4.358 2.794) 8.734 11.673 ( -18.469 19.917 -0.910) 27.178 13.189 ( 17.856 2.425 0.078) 18.020 14.787 ( -21.564 -12.265 -6.190) 25.568 17.555 ( -10.558 -15.162 10.565) 21.283 19.240 ( -2.128 6.028 1.698) 6.614 19.562 ( -2.218 1.103 -0.653) 2.562 20.955 ( -0.531 -2.758 -1.134) 3.029 21.617 ( 12.946 4.359 0.193) 13.662======================= Grid point 1256 (231/261) =======================q-point: (-0.41 0.06 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.365 ( -19.484 12.598 -0.017) 23.202 4.875 ( -11.238 7.135 17.531) 22.012 6.549 ( -16.225 -10.419 17.762) 26.217 8.101 ( -9.775 -2.299 -1.421) 10.142 9.492 ( -17.555 -12.437 -22.147) 30.876 10.305 ( 16.553 -1.622 -10.683) 19.767 11.096 ( 6.121 -2.803 4.044) 7.853 11.550 ( -13.347 15.768 -0.014) 20.658 13.565 ( 13.706 1.068 5.883) 14.953 14.105 ( -31.503 -15.366 -9.036) 36.197 17.101 ( -21.282 -18.193 7.539) 28.996 19.271 ( -1.432 6.160 0.737) 6.367 19.526 ( -3.319 1.566 0.077) 3.671 20.971 ( 4.028 -0.120 4.885) 6.333 21.897 ( 13.093 2.928 -3.549) 13.877======================= Grid point 1257 (232/261) =======================q-point: (-0.35 0.06 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.106 ( -20.115 5.160 4.692) 21.290 4.748 ( -14.749 12.565 25.834) 32.292 6.201 ( -12.399 -7.641 13.837) 20.089 7.834 ( -15.500 -7.258 -7.127) 18.540 8.960 ( -24.415 -15.099 -19.398) 34.646 10.582 ( 12.934 -6.665 -10.004) 17.657 11.068 ( -9.233 9.689 -1.392) 13.456 11.594 ( 3.768 3.940 3.422) 6.436 12.942 ( -45.149 -23.794 -0.115) 51.035 14.165 ( 18.506 8.901 5.492) 21.257 16.511 ( -23.781 -16.598 0.779) 29.011 19.311 ( -1.145 5.879 -0.735) 6.034 19.482 ( -3.157 1.374 0.785) 3.532 21.064 ( 5.022 0.985 11.048) 12.176 22.090 ( 7.010 -0.620 -8.740) 11.220======================= Grid point 1258 (233/261) =======================q-point: (-0.29 0.06 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.789 ( -17.762 -1.002 10.690) 20.755 4.618 ( -17.636 18.458 25.332) 35.964 5.971 ( -7.974 -3.952 14.097) 16.671 7.417 ( -19.778 -14.003 -14.603) 28.294 8.393 ( -24.061 -12.308 -16.872) 31.860 10.462 ( -12.955 -11.103 -0.424) 17.067 10.925 ( -29.729 -2.910 -11.748) 32.098 11.582 ( -3.231 -4.535 1.743) 5.835 12.197 ( -10.611 -4.748 8.553) 14.432 14.570 ( 17.498 8.464 14.061) 23.990 16.044 ( -11.753 -9.344 -7.812) 16.926 19.338 ( -2.038 4.402 -2.652) 5.528 19.458 ( -0.751 1.246 1.768) 2.290 21.126 ( 0.291 0.416 15.798) 15.806 22.109 ( -2.366 -4.424 -14.834) 15.659======================= Grid point 1259 (234/261) =======================q-point: (-0.24 0.06 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.501 ( -12.607 -1.883 16.225) 20.634 4.527 ( -15.871 22.622 15.871) 31.868 5.788 ( -10.754 -4.310 21.073) 24.048 6.896 ( -20.148 -17.582 -22.983) 35.260 7.876 ( -22.981 -10.161 -12.628) 28.122 9.806 ( -47.937 -22.158 -4.819) 53.030 10.233 ( -25.756 -0.149 3.400) 25.980 11.393 ( -17.530 -7.862 -3.079) 19.457 12.334 ( 17.141 5.970 7.372) 19.591 14.976 ( 20.802 8.749 22.239) 31.684 15.984 ( 10.733 -0.514 -14.390) 17.959 19.328 ( -2.259 1.624 -2.936) 4.045 19.481 ( 1.252 1.701 1.451) 2.562 21.056 ( -8.668 -0.743 19.115) 21.001 21.907 ( -14.187 -7.592 -21.112) 26.544======================= Grid point 1260 (235/261) =======================q-point: (-0.18 0.06 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.345 ( -6.006 4.332 22.810) 23.982 4.531 ( -9.155 19.908 -4.268) 22.324 5.427 ( -22.041 -10.861 28.894) 37.930 6.408 ( -20.339 -9.663 -26.144) 34.504 7.332 ( -27.774 -13.292 3.742) 31.017 8.836 ( -36.237 -9.883 -10.430) 38.982 9.885 ( -17.090 1.660 4.581) 17.771 10.840 ( -32.802 -9.195 -3.004) 34.199 12.735 ( 19.919 5.019 4.274) 20.982 15.508 ( 30.561 8.223 20.865) 37.907 16.372 ( 30.567 3.733 -10.709) 32.603 19.302 ( -1.268 -0.473 -2.077) 2.479 19.522 ( 1.613 1.176 0.755) 2.135 20.797 ( -20.126 -1.018 20.316) 28.615 21.459 ( -27.754 -8.391 -25.532) 38.634======================= Grid point 1265 (236/261) =======================q-point: ( 0.12 0.12 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.577 ( 14.781 6.095 -3.298) 16.324 4.933 ( 15.320 11.255 -2.918) 19.233 5.814 ( 22.009 11.010 38.149) 45.398 6.560 ( -5.424 18.384 -34.195) 39.201 7.691 ( 5.928 26.888 3.791) 27.794 9.522 ( 18.887 43.242 4.914) 47.442 10.267 ( 14.281 20.092 -0.229) 24.652 11.279 ( 9.136 19.615 -0.078) 21.638 12.424 ( -7.038 -17.374 2.267) 18.882 15.110 ( -7.354 -20.658 19.132) 29.101 15.949 ( -10.579 -12.365 -12.596) 20.579 19.332 ( 0.299 3.658 -0.361) 3.688 19.509 ( 0.162 -1.187 0.182) 1.212 21.089 ( 8.699 7.030 16.530) 19.958 21.792 ( 5.715 15.581 -20.925) 26.707======================= Grid point 1266 (237/261) =======================q-point: ( 0.18 0.12 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.950 ( 16.519 11.103 -15.990) 25.531 5.280 ( 7.620 19.755 -9.658) 23.272 6.199 ( 13.047 -6.022 18.934) 23.769 6.807 ( 12.588 27.314 -15.224) 33.709 8.082 ( 9.432 24.064 6.889) 26.748 10.138 ( 11.185 17.513 12.648) 24.326 10.819 ( 15.992 33.884 2.792) 37.572 11.497 ( 3.676 2.630 1.571) 4.785 12.235 ( 1.841 -3.952 -0.704) 4.417 14.808 ( -7.854 -16.436 5.267) 18.962 15.839 ( 3.903 5.169 -4.245) 7.744 19.377 ( -1.227 6.088 1.569) 6.405 19.510 ( 0.614 0.606 -1.214) 1.490 21.220 ( 3.400 -2.011 9.494) 10.283 21.969 ( 3.067 4.609 -13.274) 14.382======================= Grid point 1267 (238/261) =======================q-point: ( 0.24 0.12 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.327 ( 10.416 15.721 -14.688) 23.903 5.576 ( 1.092 19.758 -20.493) 28.487 6.313 ( 10.079 0.073 -3.933) 10.819 7.387 ( 20.444 21.848 6.947) 30.718 8.504 ( 12.966 21.059 10.093) 26.711 10.247 ( -2.475 -6.858 12.908) 14.825 11.238 ( -2.417 16.107 1.890) 16.397 11.553 ( 4.040 2.081 6.586) 8.002 12.579 ( 26.666 23.317 1.532) 35.456 14.461 ( -13.059 -16.385 -6.890) 22.056 16.174 ( 21.036 13.852 2.147) 25.278 19.398 ( -3.694 6.555 2.832) 8.039 19.550 ( 1.050 3.922 -2.392) 4.712 21.179 ( -1.910 -7.552 3.446) 8.517 21.996 ( -0.201 -3.917 -7.041) 8.060======================= Grid point 1268 (239/261) =======================q-point: ( 0.29 0.12 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.619 ( 3.029 19.319 -6.886) 20.732 5.664 ( -10.346 15.950 -24.042) 30.651 6.626 ( 20.183 5.689 -12.020) 24.171 7.883 ( 12.913 17.689 9.341) 23.809 8.941 ( 14.225 16.693 14.813) 26.466 10.036 ( -5.609 -14.235 9.027) 17.765 11.139 ( -6.555 -9.328 0.300) 11.405 11.746 ( 0.548 23.695 5.831) 24.408 13.389 ( 31.412 20.159 4.571) 37.603 14.060 ( -13.216 -9.972 -8.770) 18.736 16.746 ( 27.913 10.150 2.478) 29.804 19.389 ( -4.777 6.741 2.826) 8.732 19.605 ( -0.554 5.205 -2.378) 5.749 21.037 ( -3.888 -8.442 0.679) 9.319 21.890 ( -3.921 -9.348 -4.103) 10.936======================= Grid point 1269 (240/261) =======================q-point: ( 0.35 0.12 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.829 ( -2.636 22.006 0.669) 22.174 5.594 ( -14.750 15.042 -21.741) 30.274 7.018 ( 16.729 3.597 -11.174) 20.437 8.183 ( 3.757 13.070 7.995) 15.775 9.261 ( 6.320 7.792 16.408) 19.232 9.902 ( 6.340 -8.925 1.415) 11.039 10.946 ( -2.878 -9.538 0.087) 9.963 11.992 ( -2.631 27.827 4.194) 28.264 13.417 ( -14.625 -19.265 -13.343) 27.624 14.368 ( 26.245 21.924 8.987) 35.359 17.263 ( 23.773 -0.506 1.987) 23.861 19.373 ( -4.902 7.287 2.555) 9.146 19.624 ( -2.220 3.373 -1.898) 4.462 20.918 ( -1.149 -4.653 0.369) 4.807 21.689 ( -6.763 -10.785 -3.253) 13.139======================= Grid point 1270 (241/261) =======================q-point: ( 0.41 0.12 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.973 ( -7.566 24.379 6.069) 26.237 5.464 ( -16.750 13.883 -17.541) 27.946 7.207 ( 3.087 -2.776 0.987) 4.267 8.295 ( -1.498 7.503 7.369) 10.623 9.386 ( 4.153 5.376 -0.240) 6.797 10.002 ( 11.023 -9.226 0.962) 14.407 10.876 ( 2.202 -4.383 -1.378) 5.095 12.206 ( -6.810 30.288 4.482) 31.366 12.978 ( -10.222 -18.172 -12.584) 24.353 14.909 ( 13.448 10.795 5.446) 18.084 17.514 ( 12.256 -12.428 4.454) 18.014 19.371 ( -4.666 8.615 1.963) 9.992 19.610 ( -1.484 1.205 -1.242) 2.279 20.911 ( 3.021 -1.758 -0.116) 3.497 21.482 ( -4.933 -6.764 -2.135) 8.640======================= Grid point 1271 (242/261) =======================q-point: (-0.53 0.12 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.048 ( -14.382 27.149 5.769) 31.260 5.295 ( -16.173 10.616 -7.605) 20.787 7.069 ( -10.727 -8.735 13.369) 19.238 8.318 ( -3.164 5.140 5.315) 8.042 9.552 ( 7.374 6.043 -15.993) 18.619 10.031 ( 5.720 -14.478 -1.610) 15.650 10.875 ( 1.866 -3.807 -1.619) 4.538 12.266 ( -21.675 25.969 -0.136) 33.826 12.870 ( 15.751 -7.059 -3.008) 17.521 14.982 ( -10.196 -3.326 -1.929) 10.897 17.467 ( 1.135 -18.582 9.307) 20.813 19.377 ( -4.588 8.538 1.409) 9.795 19.608 ( -0.756 2.104 -1.084) 2.485 20.921 ( 0.650 -4.159 -1.219) 4.382 21.463 ( 6.948 0.960 -0.182) 7.016======================= Grid point 1272 (243/261) =======================q-point: (-0.47 0.12 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.940 ( -25.549 19.252 -9.586) 33.396 5.190 ( -10.717 16.351 18.130) 26.663 6.725 ( -15.974 -10.330 16.175) 24.970 8.262 ( -8.547 2.573 1.888) 9.123 9.619 ( -7.777 -6.231 -19.057) 21.505 10.003 ( 11.904 -8.338 -8.942) 17.064 10.920 ( 8.119 -2.121 2.178) 8.669 12.069 ( -23.399 17.291 -2.757) 29.225 13.236 ( 23.387 2.519 4.196) 23.893 14.522 ( -30.550 -12.535 -6.553) 33.666 17.191 ( -10.479 -19.849 9.412) 24.339 19.389 ( -3.247 7.612 1.221) 8.365 19.612 ( -2.816 4.226 -0.919) 5.161 20.898 ( 2.371 -2.789 2.089) 4.215 21.677 ( 13.729 1.528 -1.878) 13.941======================= Grid point 1273 (244/261) =======================q-point: (-0.41 0.12 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.614 ( -27.504 9.659 -6.429) 29.851 5.184 ( -13.514 22.776 24.573) 36.128 6.356 ( -14.606 -8.026 12.931) 21.094 8.053 ( -15.651 -2.832 -4.360) 16.492 9.217 ( -21.525 -13.428 -14.626) 29.284 10.243 ( 18.341 -4.871 -11.503) 22.191 11.098 ( 10.843 2.134 3.847) 11.702 11.828 ( -20.045 10.873 -1.874) 22.881 13.391 ( -21.254 -15.262 4.272) 26.512 14.004 ( 0.254 3.801 -3.118) 4.922 16.726 ( -19.820 -17.719 4.618) 26.984 19.414 ( -2.368 6.989 0.688) 7.411 19.583 ( -5.260 3.884 -0.611) 6.567 20.964 ( 6.481 -0.376 7.276) 9.751 21.912 ( 11.869 -1.019 -5.681) 13.198======================= Grid point 1274 (245/261) =======================q-point: (-0.35 0.12 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.205 ( -26.587 4.414 -2.727) 27.088 5.161 ( -17.065 24.991 23.540) 38.339 6.086 ( -9.569 -2.899 12.360) 15.898 7.650 ( -22.369 -11.308 -13.498) 28.468 8.693 ( -23.501 -10.599 -10.154) 27.708 10.423 ( 6.683 -8.236 -5.423) 11.913 11.276 ( -0.974 9.508 -1.257) 9.640 11.597 ( -11.105 -3.628 1.616) 11.794 12.563 ( -38.919 -12.551 3.636) 41.054 14.335 ( 18.738 7.715 5.362) 20.961 16.213 ( -19.498 -12.013 -1.549) 22.954 19.442 ( -2.352 6.120 -0.821) 6.607 19.515 ( -5.078 1.295 0.406) 5.256 21.083 ( 5.606 1.271 11.559) 12.909 22.044 ( 5.156 -3.301 -10.439) 12.101======================= Grid point 1275 (246/261) =======================q-point: (-0.29 0.12 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.816 ( -21.634 4.061 -2.599) 22.164 5.085 ( -18.850 22.117 13.692) 32.124 5.954 ( -7.908 4.469 22.832) 24.572 7.079 ( -24.053 -18.390 -24.941) 39.228 8.195 ( -23.592 -7.473 -4.928) 25.233 10.237 ( -19.161 -9.856 1.585) 21.605 10.863 ( -43.009 -2.063 -0.428) 43.060 11.511 ( -1.463 -2.629 -0.205) 3.016 12.177 ( 1.485 1.690 5.067) 5.544 14.723 ( 17.771 6.439 12.684) 22.763 15.892 ( -5.179 -5.529 -8.479) 11.371 19.411 ( -5.335 1.417 -1.901) 5.838 19.486 ( 0.149 1.616 1.282) 2.068 21.151 ( -0.712 2.419 14.524) 14.741 22.012 ( -4.680 -4.288 -15.740) 16.971======================= Grid point 1283 (247/261) =======================q-point: ( 0.18 0.18 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.283 ( 15.750 20.891 -9.181) 27.727 5.568 ( 18.078 8.966 1.597) 20.242 6.133 ( 9.659 0.882 13.804) 16.871 7.416 ( 7.027 30.932 -13.191) 34.354 8.544 ( 7.744 22.390 1.028) 23.714 10.281 ( -6.792 -1.992 2.877) 7.641 11.401 ( -6.472 -8.675 1.684) 10.953 11.499 ( 13.730 26.513 2.958) 30.003 12.451 ( 16.739 27.088 3.025) 31.986 14.456 ( -6.408 -18.389 0.468) 19.480 16.070 ( 8.051 16.631 -0.739) 18.492 19.493 ( -0.621 3.338 2.287) 4.094 19.543 ( 4.687 4.306 -2.422) 6.810 21.125 ( -0.871 -7.017 8.693) 11.205 21.989 ( -3.084 -2.473 -9.904) 10.664======================= Grid point 1284 (248/261) =======================q-point: ( 0.24 0.18 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.734 ( 9.394 23.525 -4.822) 25.786 5.865 ( 4.670 8.891 -7.350) 12.445 6.368 ( 15.082 6.127 -1.050) 16.313 7.881 ( 11.586 25.618 -1.821) 28.175 8.911 ( 9.895 19.460 6.321) 22.728 10.030 ( -10.292 -13.495 2.693) 17.184 11.159 ( -7.766 -12.526 1.357) 14.800 11.924 ( 7.319 24.361 2.892) 25.601 13.134 ( 23.475 26.664 4.902) 35.862 14.154 ( -8.512 -11.096 -5.687) 15.097 16.453 ( 17.055 12.913 2.374) 21.524 19.505 ( -1.793 3.450 2.077) 4.408 19.664 ( 1.705 7.161 -2.009) 7.630 21.002 ( -2.794 -9.296 3.974) 10.488 21.866 ( -4.321 -8.554 -5.660) 11.130======================= Grid point 1285 (249/261) =======================q-point: ( 0.29 0.18 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.074 ( 2.027 24.780 3.271) 25.077 5.936 ( -6.372 10.929 -12.057) 17.476 6.747 ( 18.640 6.333 -7.530) 21.077 8.278 ( 5.761 20.828 0.607) 21.618 9.235 ( 6.968 11.172 14.228) 19.385 9.759 ( -2.347 -11.816 -3.173) 12.457 10.920 ( -5.341 -9.978 -0.078) 11.318 12.249 ( 2.513 22.383 2.229) 22.633 13.420 ( -3.831 -12.496 -6.866) 14.764 14.244 ( 14.863 25.159 5.605) 29.754 16.861 ( 20.182 0.713 2.378) 20.334 19.501 ( -2.606 3.696 1.761) 4.853 19.724 ( -2.968 6.170 -1.555) 7.021 20.880 ( -1.055 -6.563 1.545) 6.824 21.682 ( -5.256 -10.615 -3.577) 12.373======================= Grid point 1286 (250/261) =======================q-point: ( 0.35 0.18 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.312 ( -3.089 24.819 9.805) 26.864 5.891 ( -12.876 13.731 -14.490) 23.755 7.064 ( 11.499 1.027 -2.017) 11.720 8.462 ( -4.922 14.370 1.655) 15.280 9.356 ( 4.270 1.596 8.447) 9.599 9.760 ( 7.457 -5.459 -4.878) 10.450 10.813 ( 0.677 -2.446 -2.009) 3.237 12.444 ( 2.004 7.987 0.519) 8.251 13.115 ( -16.121 -2.328 -8.983) 18.601 14.801 ( 15.830 21.071 8.135) 27.582 17.120 ( 16.182 -13.684 2.950) 21.396 19.507 ( -1.330 5.417 1.092) 5.684 19.687 ( -5.853 2.772 -0.898) 6.538 20.845 ( 1.988 -2.823 0.629) 3.510 21.494 ( -4.776 -7.763 -2.538) 9.461======================= Grid point 1287 (251/261) =======================q-point: ( 0.41 0.18 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.472 ( -6.442 23.559 14.353) 28.329 5.763 ( -18.423 14.971 -14.620) 27.880 7.119 ( -2.853 -5.526 8.473) 10.510 8.468 ( -6.174 10.200 3.497) 12.425 9.496 ( 6.526 5.102 -8.139) 11.613 9.786 ( 5.919 -12.306 -2.670) 13.914 10.840 ( 0.371 0.988 -4.308) 4.436 12.512 ( 11.866 -14.774 -4.894) 19.572 12.905 ( -20.511 25.074 -0.425) 32.398 15.098 ( -1.080 8.522 2.921) 9.074 17.158 ( 9.969 -21.855 6.789) 24.963 19.551 ( -4.653 8.240 0.397) 9.471 19.623 ( 0.064 0.583 -0.901) 1.075 20.857 ( 1.869 -3.401 0.252) 3.889 21.399 ( 0.465 -1.632 -1.443) 2.228======================= Grid point 1289 (252/261) =======================q-point: (-0.53 0.18 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.515 ( -17.867 10.664 -1.540) 20.864 5.594 ( -14.461 24.675 6.695) 29.373 6.892 ( -13.412 -7.997 12.549) 20.032 8.456 ( -7.650 8.680 3.864) 12.198 9.637 ( 3.264 1.979 -17.060) 17.482 9.735 ( 5.164 -14.839 -3.912) 16.191 10.822 ( 0.231 -1.238 -3.593) 3.807 12.527 ( -4.166 -2.746 -8.453) 9.815 12.959 ( 4.209 17.641 7.417) 19.594 14.907 ( -22.863 -3.182 -2.592) 23.229 17.056 ( 2.611 -20.603 9.459) 22.820 19.510 ( -3.812 3.555 0.703) 5.259 19.695 ( 0.301 6.931 -1.630) 7.127 20.836 ( 0.877 -3.926 1.455) 4.277 21.485 ( 8.921 0.871 -1.565) 9.099======================= Grid point 1290 (253/261) =======================q-point: (-0.47 0.18 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.186 ( -26.976 6.858 -6.628) 28.613 5.636 ( -10.948 22.704 17.035) 30.422 6.555 ( -16.070 -5.398 9.237) 19.305 8.324 ( -15.279 3.156 -0.276) 15.604 9.431 ( -15.931 -10.104 -6.967) 20.110 9.870 ( 17.118 -6.257 -13.849) 22.891 10.907 ( 10.096 0.483 0.709) 10.133 12.314 ( -20.914 6.707 -4.046) 22.332 13.289 ( 15.340 2.494 5.772) 16.579 14.341 ( -31.840 -4.840 -3.812) 32.430 16.818 ( -9.220 -15.268 6.755) 19.072 19.505 ( -1.474 3.618 1.342) 4.130 19.727 ( -4.551 6.093 -1.908) 7.841 20.849 ( 4.806 -1.799 4.344) 6.724 21.684 ( 12.550 -0.499 -3.590) 13.063======================= Grid point 1291 (254/261) =======================q-point: (-0.41 0.18 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.741 ( -28.873 3.074 -5.422) 29.538 5.654 ( -12.261 19.967 14.252) 27.425 6.263 ( -13.182 -0.184 6.738) 14.805 7.974 ( -23.834 -5.080 -7.620) 25.533 8.998 ( -21.840 -7.687 -3.756) 23.456 10.122 ( 17.426 -6.261 -6.292) 19.556 11.145 ( 14.601 1.827 2.353) 14.902 11.963 ( -24.235 2.318 -0.877) 24.362 13.137 ( -32.869 -7.395 4.758) 34.025 14.116 ( 10.175 5.104 -2.028) 11.562 16.451 ( -18.344 -7.965 2.621) 20.169 19.513 ( -1.339 2.378 1.406) 3.070 19.660 ( -7.792 2.714 -1.746) 8.434 20.967 ( 8.413 0.930 7.106) 11.052 21.879 ( 10.308 -1.644 -6.583) 12.341======================= Grid point 1302 (255/261) =======================q-point: ( 0.24 0.24 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.225 ( 10.099 24.074 0.539) 26.112 5.966 ( 10.978 2.336 5.139) 12.345 6.550 ( 12.632 11.237 -0.868) 16.929 8.354 ( 10.317 20.107 -3.297) 22.838 9.273 ( 3.157 15.239 6.260) 16.774 9.759 ( -11.003 -11.784 -10.474) 19.226 10.918 ( -5.412 -9.905 -0.084) 11.288 12.357 ( 7.217 16.155 -1.749) 17.780 13.344 ( 0.382 -6.189 1.414) 6.360 14.286 ( 11.756 25.178 0.770) 27.798 16.661 ( 5.427 7.139 3.944) 9.797 19.540 ( 0.194 0.382 1.386) 1.450 19.796 ( 2.441 4.759 -1.997) 5.709 20.840 ( -2.257 -5.972 3.872) 7.466 21.674 ( -5.904 -9.899 -4.069) 12.224======================= Grid point 1303 (256/261) =======================q-point: ( 0.29 0.24 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.569 ( 2.310 23.262 7.617) 24.586 6.106 ( 0.715 6.062 -1.964) 6.412 6.874 ( 12.719 6.032 -0.475) 14.085 8.689 ( 2.654 19.378 -5.287) 20.260 9.284 ( -2.477 -6.298 12.030) 13.803 9.653 ( 2.459 0.561 -12.319) 12.575 10.804 ( -0.651 -0.033 -2.880) 2.952 12.422 ( -3.776 -9.868 -5.181) 11.768 13.324 ( -0.480 8.918 -1.015) 8.989 14.808 ( 12.895 28.698 6.625) 32.152 16.762 ( 7.785 -10.406 3.575) 13.479 19.542 ( 0.011 1.149 0.640) 1.315 19.817 ( -4.030 2.009 -1.678) 4.805 20.788 ( 1.045 -2.446 2.288) 3.509 21.495 ( -4.196 -7.303 -2.805) 8.877======================= Grid point 1304 (257/261) =======================q-point: ( 0.35 0.24 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.782 ( -3.180 20.827 11.506) 24.005 6.119 ( -7.518 8.427 -5.956) 12.767 7.062 ( 4.820 -1.053 7.321) 8.828 8.752 ( -11.584 14.288 -3.350) 18.697 9.351 ( 13.282 -1.316 1.255) 13.406 9.639 ( -1.065 -7.474 -9.190) 11.893 10.883 ( 1.209 9.602 -4.899) 10.847 12.185 ( 2.056 -23.807 -7.637) 25.087 13.424 ( -9.348 22.433 0.889) 24.319 15.222 ( 3.465 21.026 6.465) 22.269 16.734 ( 10.007 -23.617 4.653) 26.068 19.590 ( 3.094 3.102 -0.492) 4.409 19.720 ( -6.946 0.193 -1.210) 7.053 20.800 ( 1.644 -1.546 1.904) 2.953 21.393 ( -1.659 -2.506 -2.153) 3.697======================= Grid point 1305 (258/261) =======================q-point: (-0.59 0.24 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.865 ( -9.382 13.921 9.123) 19.107 6.027 ( -12.157 10.560 -2.104) 16.240 7.011 ( -6.695 -4.349 10.979) 13.574 8.715 ( -8.873 14.256 0.505) 16.799 9.503 ( 2.577 -15.849 -5.638) 17.018 9.576 ( 7.352 2.793 -10.280) 12.943 10.903 ( -7.867 4.197 -7.083) 11.387 12.176 ( 19.742 -14.377 -6.765) 25.342 13.400 ( -17.533 19.684 3.354) 26.573 15.267 ( -16.236 8.023 1.898) 18.209 16.703 ( 13.062 -20.907 7.879) 25.880 19.591 ( -4.147 -1.040 -0.596) 4.317 19.725 ( 3.760 6.036 -1.716) 7.315 20.795 ( 0.044 -2.302 2.399) 3.325 21.392 ( 2.839 0.283 -2.009) 3.489======================= Grid point 1306 (259/261) =======================q-point: (-0.53 0.24 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.655 ( -21.424 1.860 0.647) 21.514 5.989 ( -8.139 13.439 8.845) 18.030 6.793 ( -13.813 -0.731 5.606) 14.925 8.649 ( -14.865 8.935 0.767) 17.361 9.433 ( 6.413 -13.755 1.822) 15.285 9.649 ( 0.226 -0.529 -17.036) 17.046 10.814 ( -0.603 -0.173 -4.211) 4.258 12.435 ( 12.891 -3.351 -6.685) 14.902 13.271 ( -10.357 10.019 4.545) 15.109 14.865 ( -30.698 -1.715 0.921) 30.760 16.729 ( 5.296 -9.100 6.902) 12.589 19.543 ( -1.071 0.506 0.563) 1.312 19.823 ( 0.335 3.957 -2.348) 4.614 20.778 ( 1.223 -1.372 3.237) 3.722 21.494 ( 8.459 0.140 -2.658) 8.868======================= Grid point 1320 (260/261) =======================q-point: ( 0.29 0.29 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.965 ( 4.472 15.019 5.892) 16.742 6.184 ( 5.398 1.776 3.451) 6.648 6.982 ( 4.736 4.455 9.135) 11.213 9.004 ( 15.065 7.645 -3.185) 17.191 9.174 ( -12.770 1.761 -2.873) 13.207 9.612 ( -2.389 -6.209 -10.128) 12.118 10.947 ( 6.478 13.193 -6.449) 16.050 12.024 ( -12.959 -23.721 -7.467) 28.042 13.618 ( 9.331 14.515 2.494) 17.435 15.351 ( 11.436 24.063 5.023) 27.112 16.470 ( -8.055 -17.092 5.680) 19.731 19.576 ( 1.502 2.741 -0.584) 3.180 19.788 ( -2.699 -4.331 -2.243) 5.575 20.774 ( 0.570 0.508 3.201) 3.291 21.396 ( -1.585 -2.767 -2.386) 3.983======================= Grid point 1321 (261/261) =======================q-point: ( 0.35 0.29 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.40e-04 0.00e+00 0.00e+00 Number of triplets: 1301Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.109 ( -3.740 10.474 6.923) 13.100 6.212 ( -2.727 0.742 1.525) 3.211 7.037 ( -0.150 -0.799 13.894) 13.918 9.032 ( -10.242 13.278 -4.205) 17.289 9.289 ( 8.989 -7.045 -2.174) 11.626 9.486 ( 0.950 -4.908 -13.353) 14.258 11.166 ( -8.713 16.375 -7.190) 19.894 11.696 ( 11.990 -21.834 -7.543) 26.027 13.781 ( -6.269 10.418 2.511) 12.416 15.650 ( -10.560 20.490 5.280) 23.649 16.232 ( 12.523 -23.564 5.963) 27.343 19.637 ( -0.850 1.558 -1.454) 2.294 19.703 ( 0.765 -1.265 -1.918) 2.422 20.784 ( 0.030 -0.188 3.413) 3.418 21.371 ( 0.154 -0.266 -2.329) 2.349=================== 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 3/39015 10.0 1261.576 1261.576 2205.221 0.000 -0.000 -0.000 3/39015 20.0 1745.926 1745.926 2539.943 0.000 -0.000 -0.000 3/39015 30.0 852.835 852.835 924.776 0.000 -0.000 -0.000 3/39015 40.0 439.569 439.569 406.730 0.000 -0.000 -0.000 3/39015 50.0 258.180 258.180 224.681 0.000 -0.000 -0.000 3/39015 60.0 170.481 170.481 144.491 0.000 -0.000 -0.000 3/39015 70.0 123.412 123.412 103.383 0.000 -0.000 -0.000 3/39015 80.0 95.652 95.652 79.653 0.000 -0.000 -0.000 3/39015 90.0 77.910 77.910 64.594 0.000 -0.000 -0.000 3/39015 100.0 65.791 65.791 54.306 0.000 -0.000 -0.000 3/39015 110.0 57.057 57.057 46.869 -0.000 -0.000 -0.000 3/39015 120.0 50.483 50.483 41.255 -0.000 -0.000 -0.000 3/39015 130.0 45.361 45.361 36.871 -0.000 -0.000 -0.000 3/39015 140.0 41.256 41.256 33.357 -0.000 -0.000 -0.000 3/39015 150.0 37.888 37.888 30.479 -0.000 -0.000 -0.000 3/39015 160.0 35.073 35.073 28.079 -0.000 -0.000 -0.000 3/39015 170.0 32.681 32.681 26.050 -0.000 -0.000 -0.000 3/39015 180.0 30.621 30.621 24.311 -0.000 -0.000 -0.000 3/39015 190.0 28.827 28.827 22.805 -0.000 -0.000 -0.000 3/39015 200.0 27.248 27.248 21.489 -0.000 -0.000 -0.000 3/39015 210.0 25.846 25.846 20.328 -0.000 -0.000 -0.000 3/39015 220.0 24.593 24.593 19.296 -0.000 -0.000 -0.000 3/39015 230.0 23.464 23.464 18.372 -0.000 -0.000 -0.000 3/39015 240.0 22.442 22.442 17.540 -0.000 -0.000 -0.000 3/39015 250.0 21.511 21.511 16.787 -0.000 -0.000 -0.000 3/39015 260.0 20.659 20.659 16.102 -0.000 -0.000 -0.000 3/39015 270.0 19.876 19.876 15.475 -0.000 -0.000 -0.000 3/39015 280.0 19.154 19.154 14.899 -0.000 -0.000 -0.000 3/39015 290.0 18.485 18.485 14.368 -0.000 -0.000 -0.000 3/39015 300.0 17.864 17.864 13.876 -0.000 -0.000 -0.000 3/39015 310.0 17.285 17.285 13.420 -0.000 -0.000 -0.000 3/39015 320.0 16.744 16.744 12.994 -0.000 -0.000 -0.000 3/39015 330.0 16.237 16.237 12.597 -0.000 -0.000 -0.000 3/39015 340.0 15.761 15.761 12.225 -0.000 -0.000 -0.000 3/39015 350.0 15.314 15.314 11.875 -0.000 -0.000 -0.000 3/39015 360.0 14.892 14.892 11.546 -0.000 -0.000 -0.000 3/39015 370.0 14.493 14.493 11.236 -0.000 -0.000 -0.000 3/39015 380.0 14.116 14.116 10.943 -0.000 -0.000 -0.000 3/39015 390.0 13.758 13.758 10.665 -0.000 -0.000 -0.000 3/39015 400.0 13.419 13.419 10.402 -0.000 -0.000 -0.000 3/39015 410.0 13.096 13.096 10.152 -0.000 -0.000 -0.000 3/39015 420.0 12.789 12.789 9.914 -0.000 -0.000 -0.000 3/39015 430.0 12.496 12.496 9.688 -0.000 -0.000 -0.000 3/39015 440.0 12.216 12.216 9.472 -0.000 -0.000 -0.000 3/39015 450.0 11.949 11.949 9.265 -0.000 -0.000 -0.000 3/39015 460.0 11.694 11.694 9.068 -0.000 -0.000 -0.000 3/39015 470.0 11.449 11.449 8.879 -0.000 -0.000 -0.000 3/39015 480.0 11.215 11.215 8.698 -0.000 -0.000 -0.000 3/39015 490.0 10.990 10.990 8.525 -0.000 -0.000 -0.000 3/39015 500.0 10.774 10.774 8.358 -0.000 -0.000 -0.000 3/39015 510.0 10.566 10.566 8.198 -0.000 -0.000 -0.000 3/39015 520.0 10.367 10.367 8.044 -0.000 -0.000 -0.000 3/39015 530.0 10.175 10.175 7.896 -0.000 -0.000 -0.000 3/39015 540.0 9.990 9.990 7.753 -0.000 -0.000 -0.000 3/39015 550.0 9.811 9.811 7.616 -0.000 -0.000 -0.000 3/39015 560.0 9.639 9.639 7.483 -0.000 -0.000 -0.000 3/39015 570.0 9.473 9.473 7.355 -0.000 -0.000 -0.000 3/39015 580.0 9.312 9.312 7.231 -0.000 -0.000 -0.000 3/39015 590.0 9.157 9.157 7.111 -0.000 -0.000 -0.000 3/39015 600.0 9.007 9.007 6.995 -0.000 -0.000 -0.000 3/39015 610.0 8.862 8.862 6.883 -0.000 -0.000 -0.000 3/39015 620.0 8.722 8.722 6.775 -0.000 -0.000 -0.000 3/39015 630.0 8.586 8.586 6.670 -0.000 -0.000 -0.000 3/39015 640.0 8.454 8.454 6.568 -0.000 -0.000 -0.000 3/39015 650.0 8.326 8.326 6.469 -0.000 -0.000 -0.000 3/39015 660.0 8.202 8.202 6.374 -0.000 -0.000 -0.000 3/39015 670.0 8.081 8.081 6.281 -0.000 -0.000 -0.000 3/39015 680.0 7.964 7.964 6.190 -0.000 -0.000 -0.000 3/39015 690.0 7.851 7.851 6.103 -0.000 -0.000 -0.000 3/39015 700.0 7.740 7.740 6.017 -0.000 -0.000 -0.000 3/39015 710.0 7.633 7.633 5.934 -0.000 -0.000 -0.000 3/39015 720.0 7.529 7.529 5.854 -0.000 -0.000 -0.000 3/39015 730.0 7.427 7.427 5.775 -0.000 -0.000 -0.000 3/39015 740.0 7.328 7.328 5.699 -0.000 -0.000 -0.000 3/39015 750.0 7.232 7.232 5.624 -0.000 -0.000 -0.000 3/39015 760.0 7.138 7.138 5.552 -0.000 -0.000 -0.000 3/39015 770.0 7.047 7.047 5.481 -0.000 -0.000 -0.000 3/39015 780.0 6.958 6.958 5.412 -0.000 -0.000 -0.000 3/39015 790.0 6.871 6.871 5.345 -0.000 -0.000 -0.000 3/39015 800.0 6.786 6.786 5.280 -0.000 -0.000 -0.000 3/39015 810.0 6.704 6.704 5.216 -0.000 -0.000 -0.000 3/39015 820.0 6.623 6.623 5.153 -0.000 -0.000 -0.000 3/39015 830.0 6.544 6.544 5.092 -0.000 -0.000 -0.000 3/39015 840.0 6.467 6.467 5.033 -0.000 -0.000 -0.000 3/39015 850.0 6.392 6.392 4.975 -0.000 -0.000 -0.000 3/39015 860.0 6.319 6.319 4.918 -0.000 -0.000 -0.000 3/39015 870.0 6.247 6.247 4.863 -0.000 -0.000 -0.000 3/39015 880.0 6.177 6.177 4.808 -0.000 -0.000 -0.000 3/39015 890.0 6.109 6.109 4.755 -0.000 -0.000 -0.000 3/39015 900.0 6.042 6.042 4.703 -0.000 -0.000 -0.000 3/39015 910.0 5.976 5.976 4.652 -0.000 -0.000 -0.000 3/39015 920.0 5.912 5.912 4.603 -0.000 -0.000 -0.000 3/39015 930.0 5.849 5.849 4.554 -0.000 -0.000 -0.000 3/39015 940.0 5.788 5.788 4.506 -0.000 -0.000 -0.000 3/39015 950.0 5.728 5.728 4.460 -0.000 -0.000 -0.000 3/39015 960.0 5.669 5.669 4.414 -0.000 -0.000 -0.000 3/39015 970.0 5.611 5.611 4.369 -0.000 -0.000 -0.000 3/39015 980.0 5.554 5.554 4.325 -0.000 -0.000 -0.000 3/39015 990.0 5.499 5.499 4.282 -0.000 -0.000 -0.000 3/39015 1000.0 5.444 5.444 4.240 -0.000 -0.000 -0.000 3/39015Thermal conductivity related properties were written into "kappa-m17179.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:22:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|