# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/bb50c794-8031-47e7-ae6b-44dbc1b0b292/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 Tb2SeO2 / P-3m1 (164) / materials id 755340](https://mdr.nims.go.jp/datasets/df0fd1e7-931f-47e8-ae7d-1e0e3498fb39) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 23:41:33]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [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 3.818344453805070 0.000000000000000 0.000000000000000 b -1.909172226902535 3.306783297394607 0.000000000000000 c 0.000000000000000 0.000000000000000 6.769343430000000Atomic positions (fractional): *1 Tb 0.66666666666667 0.33333333333333 0.29022119510287 158.925 2 Tb 0.33333333333333 0.66666666666667 0.70977880489713 158.925 *3 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 *4 O 0.66666666666667 0.33333333333333 0.62585614857480 15.999 5 O 0.33333333333333 0.66666666666667 0.37414385142520 15.999-------------------------------- unit cell ---------------------------------Lattice vectors: a 3.818344453805070 0.000000000000000 0.000000000000000 b -1.909172226902535 3.306783297394607 0.000000000000000 c 0.000000000000000 0.000000000000000 6.769343430000000Atomic positions (fractional): *1 Tb 0.66666666666667 0.33333333333333 0.29022119510287 158.925 > 1 2 Tb 0.33333333333333 0.66666666666667 0.70977880489713 158.925 > 2 *3 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 > 3 *4 O 0.66666666666667 0.33333333333333 0.62585614857480 15.999 > 4 5 O 0.33333333333333 0.66666666666667 0.37414385142520 15.999 > 5-------------------------------- super cell --------------------------------Lattice vectors: a 11.455033361415211 0.000000000000000 0.000000000000000 b -5.727516680707605 9.920349892183822 0.000000000000000 c 0.000000000000000 0.000000000000000 13.538686860000000Atomic positions (fractional): *1 Tb 0.22222222222222 0.11111111111111 0.14511059755143 158.925 > 1 2 Tb 0.55555555555556 0.11111111111111 0.14511059755143 158.925 > 1 3 Tb 0.88888888888889 0.11111111111111 0.14511059755143 158.925 > 1 4 Tb 0.22222222222222 0.44444444444444 0.14511059755143 158.925 > 1 5 Tb 0.55555555555556 0.44444444444444 0.14511059755143 158.925 > 1 6 Tb 0.88888888888889 0.44444444444444 0.14511059755143 158.925 > 1 7 Tb 0.22222222222222 0.77777777777778 0.14511059755143 158.925 > 1 8 Tb 0.55555555555556 0.77777777777778 0.14511059755143 158.925 > 1 9 Tb 0.88888888888889 0.77777777777778 0.14511059755143 158.925 > 1 10 Tb 0.22222222222222 0.11111111111111 0.64511059755143 158.925 > 1 11 Tb 0.55555555555556 0.11111111111111 0.64511059755143 158.925 > 1 12 Tb 0.88888888888889 0.11111111111111 0.64511059755143 158.925 > 1 13 Tb 0.22222222222222 0.44444444444444 0.64511059755143 158.925 > 1 14 Tb 0.55555555555556 0.44444444444444 0.64511059755143 158.925 > 1 15 Tb 0.88888888888889 0.44444444444444 0.64511059755143 158.925 > 1 16 Tb 0.22222222222222 0.77777777777778 0.64511059755143 158.925 > 1 17 Tb 0.55555555555556 0.77777777777778 0.64511059755143 158.925 > 1 18 Tb 0.88888888888889 0.77777777777778 0.64511059755143 158.925 > 1 19 Tb 0.11111111111111 0.22222222222222 0.35488940244857 158.925 > 2 20 Tb 0.44444444444444 0.22222222222222 0.35488940244857 158.925 > 2 21 Tb 0.77777777777778 0.22222222222222 0.35488940244857 158.925 > 2 22 Tb 0.11111111111111 0.55555555555556 0.35488940244857 158.925 > 2 23 Tb 0.44444444444444 0.55555555555556 0.35488940244857 158.925 > 2 24 Tb 0.77777777777778 0.55555555555556 0.35488940244857 158.925 > 2 25 Tb 0.11111111111111 0.88888888888889 0.35488940244857 158.925 > 2 26 Tb 0.44444444444444 0.88888888888889 0.35488940244857 158.925 > 2 27 Tb 0.77777777777778 0.88888888888889 0.35488940244857 158.925 > 2 28 Tb 0.11111111111111 0.22222222222222 0.85488940244857 158.925 > 2 29 Tb 0.44444444444444 0.22222222222222 0.85488940244857 158.925 > 2 30 Tb 0.77777777777778 0.22222222222222 0.85488940244857 158.925 > 2 31 Tb 0.11111111111111 0.55555555555556 0.85488940244857 158.925 > 2 32 Tb 0.44444444444444 0.55555555555556 0.85488940244857 158.925 > 2 33 Tb 0.77777777777778 0.55555555555556 0.85488940244857 158.925 > 2 34 Tb 0.11111111111111 0.88888888888889 0.85488940244857 158.925 > 2 35 Tb 0.44444444444444 0.88888888888889 0.85488940244857 158.925 > 2 36 Tb 0.77777777777778 0.88888888888889 0.85488940244857 158.925 > 2 *37 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 > 3 38 Se 0.33333333333333 0.00000000000000 0.00000000000000 78.960 > 3 39 Se 0.66666666666667 0.00000000000000 0.00000000000000 78.960 > 3 40 Se 0.00000000000000 0.33333333333333 0.00000000000000 78.960 > 3 41 Se 0.33333333333333 0.33333333333333 0.00000000000000 78.960 > 3 42 Se 0.66666666666667 0.33333333333333 0.00000000000000 78.960 > 3 43 Se 0.00000000000000 0.66666666666667 0.00000000000000 78.960 > 3 44 Se 0.33333333333333 0.66666666666667 0.00000000000000 78.960 > 3 45 Se 0.66666666666667 0.66666666666667 0.00000000000000 78.960 > 3 46 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 > 3 47 Se 0.33333333333333 0.00000000000000 0.50000000000000 78.960 > 3 48 Se 0.66666666666667 0.00000000000000 0.50000000000000 78.960 > 3 49 Se 0.00000000000000 0.33333333333333 0.50000000000000 78.960 > 3 50 Se 0.33333333333333 0.33333333333333 0.50000000000000 78.960 > 3 51 Se 0.66666666666667 0.33333333333333 0.50000000000000 78.960 > 3 52 Se 0.00000000000000 0.66666666666667 0.50000000000000 78.960 > 3 53 Se 0.33333333333333 0.66666666666667 0.50000000000000 78.960 > 3 54 Se 0.66666666666667 0.66666666666667 0.50000000000000 78.960 > 3 *55 O 0.22222222222222 0.11111111111111 0.31292807428740 15.999 > 4 56 O 0.55555555555556 0.11111111111111 0.31292807428740 15.999 > 4 57 O 0.88888888888889 0.11111111111111 0.31292807428740 15.999 > 4 58 O 0.22222222222222 0.44444444444444 0.31292807428740 15.999 > 4 59 O 0.55555555555556 0.44444444444444 0.31292807428740 15.999 > 4 60 O 0.88888888888889 0.44444444444444 0.31292807428740 15.999 > 4 61 O 0.22222222222222 0.77777777777778 0.31292807428740 15.999 > 4 62 O 0.55555555555556 0.77777777777778 0.31292807428740 15.999 > 4 63 O 0.88888888888889 0.77777777777778 0.31292807428740 15.999 > 4 64 O 0.22222222222222 0.11111111111111 0.81292807428740 15.999 > 4 65 O 0.55555555555556 0.11111111111111 0.81292807428740 15.999 > 4 66 O 0.88888888888889 0.11111111111111 0.81292807428740 15.999 > 4 67 O 0.22222222222222 0.44444444444444 0.81292807428740 15.999 > 4 68 O 0.55555555555556 0.44444444444444 0.81292807428740 15.999 > 4 69 O 0.88888888888889 0.44444444444444 0.81292807428740 15.999 > 4 70 O 0.22222222222222 0.77777777777778 0.81292807428740 15.999 > 4 71 O 0.55555555555556 0.77777777777778 0.81292807428740 15.999 > 4 72 O 0.88888888888889 0.77777777777778 0.81292807428740 15.999 > 4 73 O 0.11111111111111 0.22222222222222 0.18707192571260 15.999 > 5 74 O 0.44444444444444 0.22222222222222 0.18707192571260 15.999 > 5 75 O 0.77777777777778 0.22222222222222 0.18707192571260 15.999 > 5 76 O 0.11111111111111 0.55555555555556 0.18707192571260 15.999 > 5 77 O 0.44444444444444 0.55555555555556 0.18707192571260 15.999 > 5 78 O 0.77777777777778 0.55555555555556 0.18707192571260 15.999 > 5 79 O 0.11111111111111 0.88888888888889 0.18707192571260 15.999 > 5 80 O 0.44444444444444 0.88888888888889 0.18707192571260 15.999 > 5 81 O 0.77777777777778 0.88888888888889 0.18707192571260 15.999 > 5 82 O 0.11111111111111 0.22222222222222 0.68707192571260 15.999 > 5 83 O 0.44444444444444 0.22222222222222 0.68707192571260 15.999 > 5 84 O 0.77777777777778 0.22222222222222 0.68707192571260 15.999 > 5 85 O 0.11111111111111 0.55555555555556 0.68707192571260 15.999 > 5 86 O 0.44444444444444 0.55555555555556 0.68707192571260 15.999 > 5 87 O 0.77777777777778 0.55555555555556 0.68707192571260 15.999 > 5 88 O 0.11111111111111 0.88888888888889 0.68707192571260 15.999 > 5 89 O 0.44444444444444 0.88888888888889 0.68707192571260 15.999 > 5 90 O 0.77777777777778 0.88888888888889 0.68707192571260 15.999 > 5----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.8123997 -0.0000000 0.0000000 -0.0000000 5.8123997 0.0000000 0.0000000 0.0000000 5.6785025-------------------------- Born effective charges -------------------------- 1 Tb 3.7288456 0.0000000 0.0000000 0.0000000 3.7288456 0.0000000 0.0000000 0.0000000 4.0950706 2 Tb 3.7288456 0.0000000 0.0000000 0.0000000 3.7288456 0.0000000 0.0000000 0.0000000 4.0950706 3 Se -2.0832901 0.0000000 0.0000000 -0.0000000 -2.0832901 0.0000000 0.0000000 0.0000000 -2.2850079 4 O -2.6872006 -0.0000000 0.0000000 0.0000000 -2.6872006 0.0000000 0.0000000 0.0000000 -2.9525666 5 O -2.6872006 -0.0000000 0.0000000 0.0000000 -2.6872006 0.0000000 0.0000000 0.0000000 -2.9525666----------------------------------------------------------------------------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: 174Finding 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): 0.005Solver_block: 80 / 80 - Time: 0.109Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.115--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) 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: 174Finding 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 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 23:41:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 23:41:37]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [3 3 2]Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-3m1 (164)------------------------------ primitive cell ------------------------------Lattice vectors: a 3.818344453805070 0.000000000000000 0.000000000000000 b -1.909172226902535 3.306783297394607 0.000000000000000 c 0.000000000000000 0.000000000000000 6.769343430000000Atomic positions (fractional): 1 Tb 0.66666666666667 0.33333333333333 0.29022119510287 158.925 2 Tb 0.33333333333333 0.66666666666667 0.70977880489713 158.925 3 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 4 O 0.66666666666667 0.33333333333333 0.62585614857480 15.999 5 O 0.33333333333333 0.66666666666667 0.37414385142520 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 11.455033361415211 0.000000000000000 0.000000000000000 b -5.727516680707605 9.920349892183822 0.000000000000000 c 0.000000000000000 0.000000000000000 13.538686860000000Atomic positions (fractional): 1 Tb 0.22222222222222 0.11111111111111 0.14511059755143 158.925 > 1 2 Tb 0.55555555555556 0.11111111111111 0.14511059755143 158.925 > 1 3 Tb 0.88888888888889 0.11111111111111 0.14511059755143 158.925 > 1 4 Tb 0.22222222222222 0.44444444444444 0.14511059755143 158.925 > 1 5 Tb 0.55555555555556 0.44444444444444 0.14511059755143 158.925 > 1 6 Tb 0.88888888888889 0.44444444444444 0.14511059755143 158.925 > 1 7 Tb 0.22222222222222 0.77777777777778 0.14511059755143 158.925 > 1 8 Tb 0.55555555555556 0.77777777777778 0.14511059755143 158.925 > 1 9 Tb 0.88888888888889 0.77777777777778 0.14511059755143 158.925 > 1 10 Tb 0.22222222222222 0.11111111111111 0.64511059755143 158.925 > 1 11 Tb 0.55555555555556 0.11111111111111 0.64511059755143 158.925 > 1 12 Tb 0.88888888888889 0.11111111111111 0.64511059755143 158.925 > 1 13 Tb 0.22222222222222 0.44444444444444 0.64511059755143 158.925 > 1 14 Tb 0.55555555555556 0.44444444444444 0.64511059755143 158.925 > 1 15 Tb 0.88888888888889 0.44444444444444 0.64511059755143 158.925 > 1 16 Tb 0.22222222222222 0.77777777777778 0.64511059755143 158.925 > 1 17 Tb 0.55555555555556 0.77777777777778 0.64511059755143 158.925 > 1 18 Tb 0.88888888888889 0.77777777777778 0.64511059755143 158.925 > 1 19 Tb 0.11111111111111 0.22222222222222 0.35488940244857 158.925 > 19 20 Tb 0.44444444444444 0.22222222222222 0.35488940244857 158.925 > 19 21 Tb 0.77777777777778 0.22222222222222 0.35488940244857 158.925 > 19 22 Tb 0.11111111111111 0.55555555555556 0.35488940244857 158.925 > 19 23 Tb 0.44444444444444 0.55555555555556 0.35488940244857 158.925 > 19 24 Tb 0.77777777777778 0.55555555555556 0.35488940244857 158.925 > 19 25 Tb 0.11111111111111 0.88888888888889 0.35488940244857 158.925 > 19 26 Tb 0.44444444444444 0.88888888888889 0.35488940244857 158.925 > 19 27 Tb 0.77777777777778 0.88888888888889 0.35488940244857 158.925 > 19 28 Tb 0.11111111111111 0.22222222222222 0.85488940244857 158.925 > 19 29 Tb 0.44444444444444 0.22222222222222 0.85488940244857 158.925 > 19 30 Tb 0.77777777777778 0.22222222222222 0.85488940244857 158.925 > 19 31 Tb 0.11111111111111 0.55555555555556 0.85488940244857 158.925 > 19 32 Tb 0.44444444444444 0.55555555555556 0.85488940244857 158.925 > 19 33 Tb 0.77777777777778 0.55555555555556 0.85488940244857 158.925 > 19 34 Tb 0.11111111111111 0.88888888888889 0.85488940244857 158.925 > 19 35 Tb 0.44444444444444 0.88888888888889 0.85488940244857 158.925 > 19 36 Tb 0.77777777777778 0.88888888888889 0.85488940244857 158.925 > 19 37 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 > 37 38 Se 0.33333333333333 0.00000000000000 0.00000000000000 78.960 > 37 39 Se 0.66666666666667 0.00000000000000 0.00000000000000 78.960 > 37 40 Se 0.00000000000000 0.33333333333333 0.00000000000000 78.960 > 37 41 Se 0.33333333333333 0.33333333333333 0.00000000000000 78.960 > 37 42 Se 0.66666666666667 0.33333333333333 0.00000000000000 78.960 > 37 43 Se 0.00000000000000 0.66666666666667 0.00000000000000 78.960 > 37 44 Se 0.33333333333333 0.66666666666667 0.00000000000000 78.960 > 37 45 Se 0.66666666666667 0.66666666666667 0.00000000000000 78.960 > 37 46 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 > 37 47 Se 0.33333333333333 0.00000000000000 0.50000000000000 78.960 > 37 48 Se 0.66666666666667 0.00000000000000 0.50000000000000 78.960 > 37 49 Se 0.00000000000000 0.33333333333333 0.50000000000000 78.960 > 37 50 Se 0.33333333333333 0.33333333333333 0.50000000000000 78.960 > 37 51 Se 0.66666666666667 0.33333333333333 0.50000000000000 78.960 > 37 52 Se 0.00000000000000 0.66666666666667 0.50000000000000 78.960 > 37 53 Se 0.33333333333333 0.66666666666667 0.50000000000000 78.960 > 37 54 Se 0.66666666666667 0.66666666666667 0.50000000000000 78.960 > 37 55 O 0.22222222222222 0.11111111111111 0.31292807428740 15.999 > 55 56 O 0.55555555555556 0.11111111111111 0.31292807428740 15.999 > 55 57 O 0.88888888888889 0.11111111111111 0.31292807428740 15.999 > 55 58 O 0.22222222222222 0.44444444444444 0.31292807428740 15.999 > 55 59 O 0.55555555555556 0.44444444444444 0.31292807428740 15.999 > 55 60 O 0.88888888888889 0.44444444444444 0.31292807428740 15.999 > 55 61 O 0.22222222222222 0.77777777777778 0.31292807428740 15.999 > 55 62 O 0.55555555555556 0.77777777777778 0.31292807428740 15.999 > 55 63 O 0.88888888888889 0.77777777777778 0.31292807428740 15.999 > 55 64 O 0.22222222222222 0.11111111111111 0.81292807428740 15.999 > 55 65 O 0.55555555555556 0.11111111111111 0.81292807428740 15.999 > 55 66 O 0.88888888888889 0.11111111111111 0.81292807428740 15.999 > 55 67 O 0.22222222222222 0.44444444444444 0.81292807428740 15.999 > 55 68 O 0.55555555555556 0.44444444444444 0.81292807428740 15.999 > 55 69 O 0.88888888888889 0.44444444444444 0.81292807428740 15.999 > 55 70 O 0.22222222222222 0.77777777777778 0.81292807428740 15.999 > 55 71 O 0.55555555555556 0.77777777777778 0.81292807428740 15.999 > 55 72 O 0.88888888888889 0.77777777777778 0.81292807428740 15.999 > 55 73 O 0.11111111111111 0.22222222222222 0.18707192571260 15.999 > 73 74 O 0.44444444444444 0.22222222222222 0.18707192571260 15.999 > 73 75 O 0.77777777777778 0.22222222222222 0.18707192571260 15.999 > 73 76 O 0.11111111111111 0.55555555555556 0.18707192571260 15.999 > 73 77 O 0.44444444444444 0.55555555555556 0.18707192571260 15.999 > 73 78 O 0.77777777777778 0.55555555555556 0.18707192571260 15.999 > 73 79 O 0.11111111111111 0.88888888888889 0.18707192571260 15.999 > 73 80 O 0.44444444444444 0.88888888888889 0.18707192571260 15.999 > 73 81 O 0.77777777777778 0.88888888888889 0.18707192571260 15.999 > 73 82 O 0.11111111111111 0.22222222222222 0.68707192571260 15.999 > 73 83 O 0.44444444444444 0.22222222222222 0.68707192571260 15.999 > 73 84 O 0.77777777777778 0.22222222222222 0.68707192571260 15.999 > 73 85 O 0.11111111111111 0.55555555555556 0.68707192571260 15.999 > 73 86 O 0.44444444444444 0.55555555555556 0.68707192571260 15.999 > 73 87 O 0.77777777777778 0.55555555555556 0.68707192571260 15.999 > 73 88 O 0.11111111111111 0.88888888888889 0.68707192571260 15.999 > 73 89 O 0.44444444444444 0.88888888888889 0.68707192571260 15.999 > 73 90 O 0.77777777777778 0.88888888888889 0.68707192571260 15.999 > 73----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.8123997 -0.0000000 0.0000000 -0.0000000 5.8123997 0.0000000 0.0000000 0.0000000 5.6785025-------------------------- Born effective charges -------------------------- 1 Tb 3.7288456 0.0000000 0.0000000 0.0000000 3.7288456 0.0000000 0.0000000 0.0000000 4.0950706 2 Tb 3.7288456 0.0000000 0.0000000 0.0000000 3.7288456 0.0000000 0.0000000 0.0000000 4.0950706 3 Se -2.0832901 0.0000000 0.0000000 -0.0000000 -2.0832901 0.0000000 0.0000000 0.0000000 -2.2850079 4 O -2.6872006 -0.0000000 0.0000000 0.0000000 -2.6872006 0.0000000 0.0000000 0.0000000 -2.9525666 5 O -2.6872006 -0.0000000 0.0000000 0.0000000 -2.6872006 0.0000000 0.0000000 0.0000000 -2.9525666----------------------------------------------------------------------------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 (xx) 0.00000000 (xx) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 23:41:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 23:41:41]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [3 3 2]Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-3m1 (164)------------------------------ primitive cell ------------------------------Lattice vectors: a 3.818344453805070 0.000000000000000 0.000000000000000 b -1.909172226902535 3.306783297394607 0.000000000000000 c 0.000000000000000 0.000000000000000 6.769343430000000Atomic positions (fractional): 1 Tb 0.66666666666667 0.33333333333333 0.29022119510287 158.925 2 Tb 0.33333333333333 0.66666666666667 0.70977880489713 158.925 3 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 4 O 0.66666666666667 0.33333333333333 0.62585614857480 15.999 5 O 0.33333333333333 0.66666666666667 0.37414385142520 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 11.455033361415211 0.000000000000000 0.000000000000000 b -5.727516680707605 9.920349892183822 0.000000000000000 c 0.000000000000000 0.000000000000000 13.538686860000000Atomic positions (fractional): 1 Tb 0.22222222222222 0.11111111111111 0.14511059755143 158.925 > 1 2 Tb 0.55555555555556 0.11111111111111 0.14511059755143 158.925 > 1 3 Tb 0.88888888888889 0.11111111111111 0.14511059755143 158.925 > 1 4 Tb 0.22222222222222 0.44444444444444 0.14511059755143 158.925 > 1 5 Tb 0.55555555555556 0.44444444444444 0.14511059755143 158.925 > 1 6 Tb 0.88888888888889 0.44444444444444 0.14511059755143 158.925 > 1 7 Tb 0.22222222222222 0.77777777777778 0.14511059755143 158.925 > 1 8 Tb 0.55555555555556 0.77777777777778 0.14511059755143 158.925 > 1 9 Tb 0.88888888888889 0.77777777777778 0.14511059755143 158.925 > 1 10 Tb 0.22222222222222 0.11111111111111 0.64511059755143 158.925 > 1 11 Tb 0.55555555555556 0.11111111111111 0.64511059755143 158.925 > 1 12 Tb 0.88888888888889 0.11111111111111 0.64511059755143 158.925 > 1 13 Tb 0.22222222222222 0.44444444444444 0.64511059755143 158.925 > 1 14 Tb 0.55555555555556 0.44444444444444 0.64511059755143 158.925 > 1 15 Tb 0.88888888888889 0.44444444444444 0.64511059755143 158.925 > 1 16 Tb 0.22222222222222 0.77777777777778 0.64511059755143 158.925 > 1 17 Tb 0.55555555555556 0.77777777777778 0.64511059755143 158.925 > 1 18 Tb 0.88888888888889 0.77777777777778 0.64511059755143 158.925 > 1 19 Tb 0.11111111111111 0.22222222222222 0.35488940244857 158.925 > 19 20 Tb 0.44444444444444 0.22222222222222 0.35488940244857 158.925 > 19 21 Tb 0.77777777777778 0.22222222222222 0.35488940244857 158.925 > 19 22 Tb 0.11111111111111 0.55555555555556 0.35488940244857 158.925 > 19 23 Tb 0.44444444444444 0.55555555555556 0.35488940244857 158.925 > 19 24 Tb 0.77777777777778 0.55555555555556 0.35488940244857 158.925 > 19 25 Tb 0.11111111111111 0.88888888888889 0.35488940244857 158.925 > 19 26 Tb 0.44444444444444 0.88888888888889 0.35488940244857 158.925 > 19 27 Tb 0.77777777777778 0.88888888888889 0.35488940244857 158.925 > 19 28 Tb 0.11111111111111 0.22222222222222 0.85488940244857 158.925 > 19 29 Tb 0.44444444444444 0.22222222222222 0.85488940244857 158.925 > 19 30 Tb 0.77777777777778 0.22222222222222 0.85488940244857 158.925 > 19 31 Tb 0.11111111111111 0.55555555555556 0.85488940244857 158.925 > 19 32 Tb 0.44444444444444 0.55555555555556 0.85488940244857 158.925 > 19 33 Tb 0.77777777777778 0.55555555555556 0.85488940244857 158.925 > 19 34 Tb 0.11111111111111 0.88888888888889 0.85488940244857 158.925 > 19 35 Tb 0.44444444444444 0.88888888888889 0.85488940244857 158.925 > 19 36 Tb 0.77777777777778 0.88888888888889 0.85488940244857 158.925 > 19 37 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 > 37 38 Se 0.33333333333333 0.00000000000000 0.00000000000000 78.960 > 37 39 Se 0.66666666666667 0.00000000000000 0.00000000000000 78.960 > 37 40 Se 0.00000000000000 0.33333333333333 0.00000000000000 78.960 > 37 41 Se 0.33333333333333 0.33333333333333 0.00000000000000 78.960 > 37 42 Se 0.66666666666667 0.33333333333333 0.00000000000000 78.960 > 37 43 Se 0.00000000000000 0.66666666666667 0.00000000000000 78.960 > 37 44 Se 0.33333333333333 0.66666666666667 0.00000000000000 78.960 > 37 45 Se 0.66666666666667 0.66666666666667 0.00000000000000 78.960 > 37 46 Se 0.00000000000000 0.00000000000000 0.50000000000000 78.960 > 37 47 Se 0.33333333333333 0.00000000000000 0.50000000000000 78.960 > 37 48 Se 0.66666666666667 0.00000000000000 0.50000000000000 78.960 > 37 49 Se 0.00000000000000 0.33333333333333 0.50000000000000 78.960 > 37 50 Se 0.33333333333333 0.33333333333333 0.50000000000000 78.960 > 37 51 Se 0.66666666666667 0.33333333333333 0.50000000000000 78.960 > 37 52 Se 0.00000000000000 0.66666666666667 0.50000000000000 78.960 > 37 53 Se 0.33333333333333 0.66666666666667 0.50000000000000 78.960 > 37 54 Se 0.66666666666667 0.66666666666667 0.50000000000000 78.960 > 37 55 O 0.22222222222222 0.11111111111111 0.31292807428740 15.999 > 55 56 O 0.55555555555556 0.11111111111111 0.31292807428740 15.999 > 55 57 O 0.88888888888889 0.11111111111111 0.31292807428740 15.999 > 55 58 O 0.22222222222222 0.44444444444444 0.31292807428740 15.999 > 55 59 O 0.55555555555556 0.44444444444444 0.31292807428740 15.999 > 55 60 O 0.88888888888889 0.44444444444444 0.31292807428740 15.999 > 55 61 O 0.22222222222222 0.77777777777778 0.31292807428740 15.999 > 55 62 O 0.55555555555556 0.77777777777778 0.31292807428740 15.999 > 55 63 O 0.88888888888889 0.77777777777778 0.31292807428740 15.999 > 55 64 O 0.22222222222222 0.11111111111111 0.81292807428740 15.999 > 55 65 O 0.55555555555556 0.11111111111111 0.81292807428740 15.999 > 55 66 O 0.88888888888889 0.11111111111111 0.81292807428740 15.999 > 55 67 O 0.22222222222222 0.44444444444444 0.81292807428740 15.999 > 55 68 O 0.55555555555556 0.44444444444444 0.81292807428740 15.999 > 55 69 O 0.88888888888889 0.44444444444444 0.81292807428740 15.999 > 55 70 O 0.22222222222222 0.77777777777778 0.81292807428740 15.999 > 55 71 O 0.55555555555556 0.77777777777778 0.81292807428740 15.999 > 55 72 O 0.88888888888889 0.77777777777778 0.81292807428740 15.999 > 55 73 O 0.11111111111111 0.22222222222222 0.18707192571260 15.999 > 73 74 O 0.44444444444444 0.22222222222222 0.18707192571260 15.999 > 73 75 O 0.77777777777778 0.22222222222222 0.18707192571260 15.999 > 73 76 O 0.11111111111111 0.55555555555556 0.18707192571260 15.999 > 73 77 O 0.44444444444444 0.55555555555556 0.18707192571260 15.999 > 73 78 O 0.77777777777778 0.55555555555556 0.18707192571260 15.999 > 73 79 O 0.11111111111111 0.88888888888889 0.18707192571260 15.999 > 73 80 O 0.44444444444444 0.88888888888889 0.18707192571260 15.999 > 73 81 O 0.77777777777778 0.88888888888889 0.18707192571260 15.999 > 73 82 O 0.11111111111111 0.22222222222222 0.68707192571260 15.999 > 73 83 O 0.44444444444444 0.22222222222222 0.68707192571260 15.999 > 73 84 O 0.77777777777778 0.22222222222222 0.68707192571260 15.999 > 73 85 O 0.11111111111111 0.55555555555556 0.68707192571260 15.999 > 73 86 O 0.44444444444444 0.55555555555556 0.68707192571260 15.999 > 73 87 O 0.77777777777778 0.55555555555556 0.68707192571260 15.999 > 73 88 O 0.11111111111111 0.88888888888889 0.68707192571260 15.999 > 73 89 O 0.44444444444444 0.88888888888889 0.68707192571260 15.999 > 73 90 O 0.77777777777778 0.88888888888889 0.68707192571260 15.999 > 73----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 5.8123997 -0.0000000 0.0000000 -0.0000000 5.8123997 0.0000000 0.0000000 0.0000000 5.6785025-------------------------- Born effective charges -------------------------- 1 Tb 3.7288456 0.0000000 0.0000000 0.0000000 3.7288456 0.0000000 0.0000000 0.0000000 4.0950706 2 Tb 3.7288456 0.0000000 0.0000000 0.0000000 3.7288456 0.0000000 0.0000000 0.0000000 4.0950706 3 Se -2.0832901 0.0000000 0.0000000 -0.0000000 -2.0832901 0.0000000 0.0000000 0.0000000 -2.2850079 4 O -2.6872006 -0.0000000 0.0000000 0.0000000 -2.6872006 0.0000000 0.0000000 0.0000000 -2.9525666 5 O -2.6872006 -0.0000000 0.0000000 0.0000000 -2.6872006 0.0000000 0.0000000 0.0000000 -2.9525666----------------------------------------------------------------------------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 (zz) -0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 15 15 7 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.94, Number of G-points: 313, Lambda: 0.24Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/165) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 165Calculating 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 3.166 ( 0.000 0.000 0.000) 0.000 3.166 ( 0.000 0.000 0.000) 0.000 4.117 ( 0.000 0.000 0.000) 0.000 4.117 ( 0.000 0.000 0.000) 0.000 5.348 ( 0.000 0.000 0.000) 0.000 5.830 ( 0.000 0.000 0.000) 0.000 10.695 ( 0.000 0.000 0.000) 0.000 10.695 ( 0.000 0.000 0.000) 0.000 12.504 ( 0.000 0.000 0.000) 0.000 12.768 ( 0.000 0.000 0.000) 0.000 12.768 ( 0.000 0.000 0.000) 0.000 13.656 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/165) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.451 ( 19.621 11.328 -4.698) 23.138 0.631 ( 26.702 15.416 -2.532) 30.937 0.985 ( 41.950 24.220 3.882) 48.595 3.184 ( 1.476 0.852 1.803) 2.481 3.274 ( 8.995 5.193 -1.692) 10.524 4.127 ( 0.904 0.522 -0.757) 1.289 4.666 ( 0.699 0.404 0.638) 1.029 5.327 ( -1.739 -1.004 0.966) 2.228 5.792 ( -3.135 -1.810 0.044) 3.621 10.668 ( -2.375 -1.371 1.468) 3.111 12.072 ( -22.629 -13.065 -6.312) 26.882 12.754 ( -1.040 -0.601 -1.267) 1.746 13.152 ( 17.274 9.973 31.559) 37.334 13.491 ( -10.909 -6.299 -13.581) 18.524 14.636 ( 9.132 5.272 -10.981) 15.224======================= Grid point 2 (3/165) =======================q-point: ( 0.13 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.916 ( 20.321 11.732 -4.469) 23.886 1.234 ( 24.919 14.387 -2.205) 28.859 1.944 ( 40.269 23.249 3.564) 46.635 3.231 ( 2.450 1.414 3.769) 4.713 3.559 ( 14.736 8.508 -3.909) 17.459 4.161 ( 2.048 1.182 -1.646) 2.881 4.680 ( 0.178 0.103 2.308) 2.317 5.270 ( -3.011 -1.739 2.031) 4.027 5.695 ( -4.759 -2.748 0.229) 5.500 10.578 ( -5.520 -3.187 2.409) 6.814 11.566 ( -20.204 -11.665 -2.588) 23.472 12.729 ( -0.909 -0.525 -2.099) 2.347 13.064 ( -17.214 -9.938 26.381) 33.031 13.622 ( 15.062 8.696 -8.344) 19.290 14.862 ( 9.505 5.488 -14.408) 18.112======================= Grid point 3 (4/165) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.394 ( 20.591 11.888 -4.577) 24.213 1.785 ( 22.330 12.892 -1.945) 25.857 2.846 ( 36.806 21.250 2.198) 42.556 3.291 ( 2.636 1.522 5.876) 6.618 3.918 ( 14.915 8.611 -7.809) 18.911 4.224 ( 3.339 1.928 -2.566) 4.631 4.668 ( -0.945 -0.546 8.008) 8.082 5.196 ( -3.077 -1.776 2.450) 4.316 5.590 ( -3.890 -2.246 0.309) 4.502 10.406 ( -9.334 -5.389 2.487) 11.061 11.148 ( -15.534 -8.968 0.270) 17.939 12.631 ( -19.351 -11.172 14.477) 26.624 12.724 ( 0.675 0.389 -2.201) 2.334 13.930 ( 11.038 6.373 1.176) 12.800 15.061 ( 7.415 4.281 -15.024) 17.292======================= Grid point 4 (5/165) =======================q-point: ( 0.27 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.866 ( 19.675 11.359 -5.221) 23.311 2.271 ( 19.338 11.165 -2.211) 22.438 3.348 ( 2.085 1.204 7.779) 8.143 3.627 ( 28.922 16.698 -2.985) 33.529 4.179 ( 6.165 3.559 -10.211) 12.448 4.314 ( 4.253 2.455 -3.149) 5.834 4.683 ( 3.762 2.172 18.642) 19.142 5.147 ( -0.470 -0.271 1.070) 1.200 5.525 ( -1.638 -0.946 -0.126) 1.895 10.150 ( -12.375 -7.145 1.869) 14.411 10.849 ( -10.095 -5.828 2.008) 11.829 12.177 ( -19.473 -11.243 8.782) 24.139 12.763 ( 2.662 1.537 -1.699) 3.512 14.137 ( 6.914 3.992 3.958) 8.910 15.205 ( 5.006 2.890 -14.355) 15.475======================= Grid point 5 (6/165) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.297 ( 17.093 9.869 -6.137) 20.670 2.685 ( 16.256 9.386 -3.381) 19.073 3.384 ( 0.979 0.565 8.909) 8.980 3.975 ( -2.050 -1.184 -13.091) 13.304 4.396 ( 16.984 9.806 5.285) 20.311 4.414 ( 4.220 2.437 -3.055) 5.752 4.810 ( 4.741 2.737 14.569) 15.563 5.215 ( 6.870 3.966 2.433) 8.298 5.510 ( 0.256 0.148 -1.622) 1.648 9.850 ( -12.815 -7.399 1.092) 14.838 10.679 ( -4.438 -2.562 2.729) 5.806 11.732 ( -18.521 -10.693 4.660) 21.888 12.840 ( 3.651 2.108 -1.037) 4.341 14.260 ( 3.811 2.200 4.775) 6.494 15.297 ( 2.979 1.720 -12.280) 12.753======================= Grid point 6 (7/165) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.646 ( 12.520 7.229 -6.349) 15.790 3.028 ( 13.265 7.658 -5.121) 16.150 3.391 ( -0.409 -0.236 8.396) 8.410 3.812 ( -9.121 -5.266 -2.576) 10.842 4.501 ( 3.088 1.783 -2.216) 4.198 4.732 ( 9.404 5.430 2.188) 11.077 4.884 ( 2.646 1.527 5.721) 6.486 5.422 ( 8.700 5.023 8.189) 12.960 5.538 ( 2.454 1.417 -5.358) 6.061 9.581 ( -9.747 -5.627 0.512) 11.266 10.644 ( 1.432 0.827 2.679) 3.148 11.324 ( -16.290 -9.405 1.576) 18.876 12.921 ( 3.055 1.764 -0.511) 3.564 14.322 ( 1.756 1.014 3.860) 4.360 15.348 ( 1.513 0.874 -8.427) 8.606======================= Grid point 7 (8/165) =======================q-point: ( 0.47 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.858 ( 5.061 2.922 -3.381) 6.751 3.300 ( 9.544 5.510 -5.236) 12.201 3.373 ( -0.775 -0.447 4.125) 4.221 3.598 ( -8.430 -4.867 3.052) 10.201 4.552 ( 1.130 0.653 -0.810) 1.536 4.834 ( 1.139 0.658 1.152) 1.749 4.951 ( 2.072 1.196 0.858) 2.541 5.530 ( 1.474 0.851 2.911) 3.372 5.634 ( 3.619 2.089 -1.639) 4.488 9.420 ( -3.653 -2.109 0.146) 4.221 10.745 ( 7.066 4.080 1.952) 8.389 10.987 ( -12.253 -7.074 -0.571) 14.160 12.972 ( 1.177 0.680 -0.149) 1.368 14.347 ( 0.485 0.280 1.481) 1.584 15.371 ( 0.457 0.264 -3.015) 3.061======================= Grid point 16 (9/165) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.792 ( 11.844 20.515 0.000) 23.689 1.083 ( 14.826 25.680 0.000) 29.653 1.686 ( 23.391 40.515 0.000) 46.782 3.223 ( 1.683 2.914 0.000) 3.365 3.462 ( 7.449 12.902 0.000) 14.897 4.153 ( 1.240 2.147 0.000) 2.479 4.676 ( 0.164 0.284 0.000) 0.328 5.288 ( -1.611 -2.790 0.000) 3.221 5.724 ( -2.635 -4.564 0.000) 5.270 10.614 ( -2.428 -4.205 0.000) 4.856 11.703 ( -12.125 -21.001 0.000) 24.250 12.654 ( -3.713 -6.431 0.000) 7.426 13.260 ( -7.622 -13.202 0.000) 15.244 13.517 ( 10.925 18.923 0.000) 21.851 14.789 ( 5.053 8.753 0.000) 10.107======================= Grid point 17 (10/165) =======================q-point: ( 0.13 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.235 ( 15.442 18.970 -2.344) 24.573 1.604 ( 17.328 20.839 -1.171) 27.127 2.525 ( 29.236 32.520 1.588) 43.758 3.292 ( 1.647 4.455 3.040) 5.639 3.762 ( 12.047 10.760 -3.487) 16.524 4.220 ( 2.414 5.100 -1.432) 5.822 4.668 ( -0.545 -1.518 2.940) 3.354 5.221 ( -2.468 -3.031 1.344) 4.134 5.624 ( -3.395 -4.006 0.171) 5.253 10.490 ( -6.203 -5.695 1.384) 8.534 11.289 ( -13.518 -15.010 -0.388) 20.204 12.500 ( -1.891 -16.569 3.160) 16.973 12.989 ( -12.095 -2.102 4.835) 13.194 13.870 ( 9.037 14.955 0.292) 17.476 14.962 ( 6.950 4.064 -8.573) 11.761======================= Grid point 18 (11/165) =======================q-point: ( 0.20 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.700 ( 16.223 17.772 -3.555) 24.324 2.094 ( 16.727 16.990 -1.566) 23.894 3.323 ( 24.831 22.780 0.579) 33.702 3.366 ( 3.972 7.826 5.111) 10.156 4.046 ( 10.460 3.874 -7.007) 13.172 4.340 ( 1.993 9.335 -5.510) 11.021 4.642 ( 1.310 -1.745 12.853) 13.037 5.153 ( -1.634 -2.273 1.338) 3.102 5.541 ( -2.084 -2.391 0.087) 3.173 10.280 ( -10.312 -7.189 1.587) 12.670 10.949 ( -10.424 -10.309 1.072) 14.700 12.223 ( -7.488 -21.388 6.306) 23.522 12.848 ( -5.786 4.933 0.095) 7.604 14.125 ( 4.444 12.280 3.592) 13.545 15.106 ( 7.079 0.087 -12.027) 13.956======================= Grid point 19 (12/165) =======================q-point: ( 0.27 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.146 ( 15.105 15.931 -4.761) 22.464 2.527 ( 14.948 13.783 -2.248) 20.456 3.408 ( -0.630 4.282 7.529) 8.684 3.937 ( 12.403 11.734 -11.363) 20.510 4.222 ( 10.678 4.731 1.348) 11.757 4.420 ( 0.050 5.927 -4.081) 7.197 4.743 ( 6.902 3.951 17.075) 18.836 5.147 ( 3.204 0.388 0.614) 3.286 5.504 ( -0.228 -1.123 -0.739) 1.364 9.998 ( -12.638 -7.941 1.108) 14.967 10.723 ( -5.748 -6.525 2.160) 8.960 11.842 ( -11.683 -19.363 5.042) 23.170 12.856 ( -0.395 5.957 -1.038) 6.060 14.278 ( 0.793 9.420 5.295) 10.835 15.211 ( 6.260 -2.214 -12.424) 14.087======================= Grid point 20 (13/165) =======================q-point: ( 0.33 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.534 ( 12.096 13.091 -5.864) 18.764 2.892 ( 12.616 10.839 -3.294) 16.956 3.421 ( -1.722 2.227 7.597) 8.101 3.944 ( -8.401 -0.127 -6.721) 10.760 4.474 ( 3.916 3.821 -2.724) 6.112 4.611 ( 12.546 10.026 3.171) 16.370 4.858 ( 2.512 2.043 8.848) 9.422 5.295 ( 10.116 3.658 5.198) 11.947 5.509 ( 1.588 -0.312 -3.078) 3.477 9.704 ( -11.540 -7.108 0.572) 13.566 10.619 ( -0.287 -3.360 2.536) 4.219 11.447 ( -12.512 -16.409 2.547) 20.792 12.929 ( 1.054 6.223 -0.810) 6.364 14.352 ( -1.173 6.407 5.094) 8.268 15.282 ( 4.914 -2.995 -10.165) 11.681======================= Grid point 21 (14/165) =======================q-point: ( 0.40 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.817 ( 6.808 9.305 -5.489) 12.770 3.178 ( 9.672 6.466 -2.773) 11.960 3.397 ( -1.983 0.125 4.259) 4.699 3.777 ( -11.252 3.222 1.119) 11.758 4.553 ( 1.243 3.398 -1.677) 3.988 4.819 ( 3.098 3.229 1.712) 4.791 4.917 ( 3.043 1.496 2.377) 4.141 5.479 ( 5.634 0.571 7.358) 9.285 5.567 ( 5.156 1.177 -5.075) 7.330 9.480 ( -6.824 -4.400 0.224) 8.123 10.646 ( 5.699 -0.727 2.244) 6.168 11.090 ( -10.869 -12.973 0.310) 16.927 13.001 ( -0.244 5.980 -0.409) 5.999 14.377 ( -1.692 4.000 3.086) 5.328 15.323 ( 3.392 -3.131 -5.696) 7.331======================= Grid point 22 (15/165) =======================q-point: ( 0.47 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.931 ( -2.345 4.062 0.000) 4.690 3.308 ( 2.065 -3.576 -0.000) 4.129 3.383 ( -0.728 1.260 -0.000) 1.455 3.671 ( -6.424 11.127 0.000) 12.849 4.582 ( -1.326 2.297 0.000) 2.652 4.850 ( -0.555 0.961 0.000) 1.110 4.958 ( 0.336 -0.581 0.000) 0.671 5.520 ( 1.047 -1.814 0.000) 2.095 5.637 ( 1.090 -1.888 -0.000) 2.180 9.396 ( 0.213 -0.369 -0.000) 0.426 10.771 ( 2.696 -4.669 -0.000) 5.391 10.850 ( 1.733 -3.001 0.000) 3.465 13.030 ( -2.807 4.862 0.000) 5.614 14.381 ( -1.750 3.031 -0.000) 3.500 15.337 ( 2.033 -3.521 -0.000) 4.066======================= Grid point 33 (16/165) =======================q-point: ( 0.13 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.649 ( 12.432 21.532 0.000) 24.863 2.034 ( 12.263 21.240 0.000) 24.526 3.202 ( 19.394 33.592 0.000) 38.789 3.392 ( 2.865 4.962 0.000) 5.729 3.963 ( 5.034 8.719 0.000) 10.068 4.378 ( 5.978 10.355 0.000) 11.956 4.616 ( -1.913 -3.313 0.000) 3.826 5.156 ( -1.763 -3.053 0.000) 3.525 5.548 ( -1.878 -3.252 0.000) 3.755 10.339 ( -5.477 -9.486 0.000) 10.953 10.992 ( -7.995 -13.848 0.000) 15.990 12.158 ( -9.887 -17.125 0.000) 19.774 12.938 ( -1.261 -2.185 0.000) 2.523 14.167 ( 7.765 13.449 0.000) 15.529 15.026 ( 1.432 2.480 0.000) 2.864======================= Grid point 34 (17/165) =======================q-point: ( 0.20 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.083 ( 12.973 19.570 -1.758) 23.545 2.447 ( 12.333 17.597 -0.813) 21.504 3.466 ( 0.149 4.408 3.312) 5.516 3.840 ( 17.659 24.356 -3.307) 30.265 4.117 ( 6.013 4.093 -1.049) 7.349 4.513 ( -3.679 4.455 -8.684) 10.431 4.648 ( 8.960 5.169 13.723) 17.185 5.113 ( 0.095 -1.379 0.149) 1.390 5.498 ( -0.852 -1.841 -0.216) 2.040 10.108 ( -9.479 -10.040 0.454) 13.815 10.748 ( -6.217 -9.353 0.822) 11.260 11.807 ( -9.022 -19.721 2.136) 21.792 12.926 ( -0.640 3.553 -0.379) 3.630 14.387 ( 1.855 12.891 3.843) 13.579 15.071 ( 4.472 -3.179 -6.768) 8.713======================= Grid point 35 (18/165) =======================q-point: ( 0.27 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.481 ( 11.356 16.509 -3.500) 20.341 2.814 ( 10.990 14.532 -1.337) 18.269 3.478 ( -2.055 1.440 4.502) 5.154 4.089 ( -4.390 6.623 -8.281) 11.477 4.395 ( 12.469 8.816 0.957) 15.301 4.554 ( 4.431 8.572 0.665) 9.672 4.830 ( 4.318 4.055 8.790) 10.600 5.168 ( 6.759 1.787 1.755) 7.208 5.480 ( 0.595 -1.247 -1.456) 2.007 9.824 ( -11.063 -9.408 0.305) 14.526 10.594 ( -2.374 -6.056 1.604) 6.700 11.450 ( -9.339 -19.008 2.048) 21.277 12.984 ( 0.960 6.798 -0.771) 6.909 14.489 ( -3.701 10.810 6.304) 13.049 15.126 ( 7.011 -5.916 -9.579) 13.263======================= Grid point 36 (19/165) =======================q-point: ( 0.33 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.800 ( 8.082 12.646 -5.286) 15.912 3.111 ( 7.842 10.616 0.040) 13.198 3.433 ( -2.525 -1.359 2.666) 3.915 4.027 ( -9.859 8.672 -0.944) 13.164 4.565 ( 2.943 5.316 -2.625) 6.619 4.782 ( 6.646 6.661 1.589) 9.543 4.893 ( 1.214 1.453 3.912) 4.346 5.347 ( 9.568 1.260 6.692) 11.744 5.498 ( 2.869 -0.754 -4.286) 5.212 9.561 ( -8.717 -7.129 0.113) 11.261 10.547 ( 2.733 -3.708 1.871) 4.971 11.110 ( -8.747 -16.288 0.815) 18.506 13.078 ( 0.447 8.357 -0.690) 8.398 14.495 ( -5.320 7.285 5.097) 10.361 15.189 ( 6.686 -5.883 -7.399) 11.579======================= Grid point 37 (20/165) =======================q-point: ( 0.40 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.005 ( 2.125 8.974 -4.474) 10.249 3.250 ( 1.115 -0.013 4.941) 5.065 3.409 ( 0.165 2.302 -2.534) 3.428 3.953 ( -10.376 13.119 1.199) 16.769 4.639 ( -0.680 5.098 -1.090) 5.257 4.872 ( 0.021 2.213 0.754) 2.338 4.932 ( 1.913 -0.176 0.703) 2.046 5.458 ( 3.705 -2.268 3.385) 5.507 5.564 ( 4.577 -1.880 -2.221) 5.424 9.402 ( -2.906 -3.374 0.025) 4.453 10.612 ( 7.807 -2.808 1.391) 8.413 10.835 ( -5.735 -11.586 -0.430) 12.935 13.148 ( -2.422 8.139 -0.282) 8.496 14.473 ( -4.019 5.354 1.871) 6.951 15.231 ( 4.693 -5.892 -2.667) 7.991======================= Grid point 49 (21/165) =======================q-point: ( 0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.465 ( 10.306 17.851 0.000) 20.613 2.793 ( 9.579 16.592 0.000) 19.158 3.505 ( -0.397 -0.688 0.000) 0.795 4.206 ( 2.949 5.108 0.000) 5.898 4.281 ( 9.748 16.884 0.000) 19.496 4.571 ( 2.972 5.148 0.000) 5.944 4.804 ( 4.105 7.109 0.000) 8.209 5.116 ( 1.313 2.274 0.000) 2.625 5.468 ( -0.656 -1.136 0.000) 1.311 9.877 ( -7.234 -12.529 0.000) 14.468 10.584 ( -3.858 -6.682 0.000) 7.716 11.429 ( -10.302 -17.844 0.000) 20.605 13.012 ( 3.034 5.255 0.000) 6.068 14.614 ( 5.030 8.713 0.000) 10.060 14.998 ( -1.916 -3.318 0.000) 3.831======================= Grid point 50 (22/165) =======================q-point: ( 0.27 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.787 ( 8.278 13.495 -2.129) 15.974 3.105 ( 7.815 14.017 0.435) 16.055 3.452 ( -2.483 -3.465 0.805) 4.338 4.261 ( -4.598 9.671 -1.051) 10.760 4.535 ( 7.133 6.444 -1.649) 9.753 4.745 ( 5.840 8.503 1.083) 10.372 4.894 ( 1.186 2.296 2.248) 3.426 5.215 ( 6.396 2.650 2.445) 7.343 5.456 ( 0.687 -1.188 -1.455) 2.000 9.623 ( -7.969 -10.181 0.002) 12.929 10.487 ( -0.679 -4.333 0.750) 4.449 11.090 ( -8.513 -16.421 0.437) 18.502 13.134 ( 2.884 8.038 -0.379) 8.549 14.694 ( -6.554 9.149 6.048) 12.776 14.987 ( 7.494 -7.511 -6.927) 12.671======================= Grid point 51 (23/165) =======================q-point: ( 0.33 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.024 ( 5.722 9.295 -4.697) 11.883 3.284 ( -1.916 4.034 7.975) 9.140 3.411 ( 2.412 1.997 -4.740) 5.681 4.260 ( -8.313 13.196 0.844) 15.619 4.691 ( 2.621 7.161 -2.472) 8.016 4.872 ( 2.615 1.946 0.962) 3.398 4.916 ( -0.159 1.076 1.103) 1.549 5.347 ( 6.449 -0.921 5.014) 8.220 5.469 ( 2.891 -2.474 -3.377) 5.088 9.422 ( -4.819 -6.419 -0.024) 8.027 10.477 ( 3.805 -2.949 1.009) 4.919 10.810 ( -6.086 -13.122 -0.057) 14.465 13.255 ( 0.508 8.782 -0.402) 8.806 14.632 ( -7.462 6.057 3.794) 10.332 15.058 ( 7.530 -6.729 -4.395) 11.013======================= Grid point 52 (24/165) =======================q-point: ( 0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.160 ( -3.044 5.272 0.000) 6.087 3.221 ( 0.498 -0.863 -0.000) 0.996 3.473 ( -1.757 3.044 0.000) 3.514 4.251 ( -8.809 15.257 0.000) 17.617 4.754 ( -3.514 6.086 0.000) 7.027 4.899 ( 0.855 -1.481 -0.000) 1.710 4.918 ( -0.463 0.803 -0.000) 0.927 5.398 ( 2.007 -3.476 0.000) 4.014 5.489 ( 3.013 -5.218 -0.000) 6.025 9.345 ( 1.276 -2.211 -0.000) 2.553 10.528 ( 3.032 -5.252 -0.000) 6.065 10.657 ( 3.242 -5.615 0.000) 6.484 13.307 ( -4.067 7.045 0.000) 8.135 14.592 ( -3.811 6.601 -0.000) 7.622 15.092 ( 4.450 -7.708 -0.000) 8.901======================= Grid point 66 (25/165) =======================q-point: ( 0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.017 ( 5.394 9.343 0.000) 10.789 3.360 ( 6.091 10.550 0.000) 12.182 3.366 ( -2.553 -4.422 0.000) 5.106 4.430 ( 3.664 6.345 0.000) 7.327 4.687 ( 4.796 8.306 0.000) 9.591 4.858 ( 1.538 2.664 0.000) 3.076 4.928 ( 0.662 1.147 0.000) 1.325 5.271 ( 1.684 2.917 0.000) 3.369 5.430 ( -0.890 -1.542 0.000) 1.781 9.433 ( -4.725 -8.184 0.000) 9.450 10.428 ( -0.727 -1.259 0.000) 1.454 10.795 ( -7.310 -12.661 0.000) 14.620 13.296 ( 4.312 7.469 0.000) 8.624 14.834 ( -2.027 -3.511 0.000) 4.054 14.852 ( 1.603 2.776 0.000) 3.205======================= Grid point 67 (26/165) =======================q-point: ( 0.33 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.169 ( 3.879 5.107 -2.377) 6.839 3.274 ( -4.028 -2.016 3.015) 5.420 3.515 ( 1.772 5.109 -0.874) 5.478 4.516 ( -4.062 11.582 0.452) 12.282 4.819 ( 3.481 0.338 -1.704) 3.891 4.882 ( -1.356 4.118 1.070) 4.465 4.942 ( -0.249 1.063 0.013) 1.092 5.326 ( 3.111 -0.889 2.282) 3.959 5.392 ( 0.602 -4.962 -1.795) 5.311 9.314 ( -1.375 -3.919 -0.008) 4.153 10.440 ( 2.710 -0.487 0.270) 2.766 10.591 ( -3.222 -8.510 -0.137) 9.101 13.410 ( 0.270 6.008 -0.084) 6.014 14.737 ( -5.897 4.566 1.406) 7.589 14.929 ( 5.741 -5.873 -1.457) 8.341======================= Grid point 82 (27/165) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.236 ( -1.001 -1.734 0.000) 2.003 3.236 ( 1.001 1.734 0.000) 2.003 3.569 ( -0.000 -0.000 0.000) 0.000 4.714 ( -3.966 -6.869 0.000) 7.932 4.714 ( 3.966 6.869 0.000) 7.932 4.953 ( -0.000 -0.000 0.000) 0.000 4.975 ( -0.000 -0.000 0.000) 0.000 5.318 ( -0.255 -0.441 0.000) 0.510 5.318 ( 0.255 0.441 0.000) 0.510 9.274 ( -0.000 -0.000 0.000) 0.000 10.469 ( -1.800 -3.117 0.000) 3.600 10.469 ( 1.800 3.117 0.000) 3.600 13.474 ( -0.000 -0.000 0.000) 0.000 14.826 ( -2.245 -3.889 0.000) 4.490 14.826 ( 2.245 3.889 0.000) 4.490======================= Grid point 241 (28/165) =======================q-point: ( 0.00 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.644 ( 0.000 0.000 29.914) 29.914 0.644 ( 0.000 0.000 29.914) 29.914 1.042 ( 0.000 0.000 48.777) 48.777 3.069 ( 0.000 -0.000 -8.881) 8.881 3.069 ( 0.000 -0.000 -8.881) 8.881 4.139 ( 0.000 0.000 1.827) 1.827 4.139 ( 0.000 -0.000 1.827) 1.827 5.514 ( 0.000 0.000 -24.758) 24.758 6.698 ( 0.000 0.000 12.124) 12.124 10.738 ( 0.000 -0.000 3.881) 3.881 10.738 ( 0.000 0.000 3.881) 3.881 12.736 ( 0.000 -0.000 -2.916) 2.916 12.736 ( 0.000 -0.000 -2.916) 2.916 13.652 ( 0.000 0.000 -0.322) 0.322 16.354 ( -0.000 0.000 1.166) 1.166======================= Grid point 242 (29/165) =======================q-point: ( 0.07 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.726 ( 9.519 5.496 23.509) 25.952 0.782 ( 14.126 8.155 21.360) 26.875 1.510 ( 30.523 17.622 34.482) 49.307 3.124 ( 3.265 1.885 -7.305) 8.220 3.145 ( 7.458 4.306 -10.355) 13.468 4.135 ( 0.175 0.101 1.385) 1.399 4.356 ( 12.873 7.432 -7.613) 16.700 5.419 ( -7.346 -4.241 -18.388) 20.250 6.144 ( -23.501 -13.568 27.088) 38.343 10.736 ( -1.648 -0.952 4.556) 4.937 11.366 ( 21.552 12.443 -26.897) 36.644 12.701 ( -1.694 -0.978 -3.530) 4.035 12.764 ( 4.618 2.666 -9.342) 10.757 13.774 ( 9.071 5.237 2.080) 10.679 15.570 ( -41.003 -23.673 39.446) 61.625======================= Grid point 243 (30/165) =======================q-point: ( 0.13 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.033 ( 15.803 9.124 14.029) 23.017 1.236 ( 22.338 12.897 6.634) 26.633 2.269 ( 33.137 19.132 22.163) 44.219 3.218 ( 4.746 2.740 -5.051) 7.453 3.387 ( 12.641 7.299 -11.531) 18.602 4.148 ( 0.985 0.568 0.546) 1.261 4.616 ( 9.257 5.344 -3.938) 11.391 5.252 ( -5.569 -3.215 -9.923) 11.825 5.795 ( -9.719 -5.611 10.431) 15.321 10.653 ( -5.614 -3.241 4.252) 7.752 11.436 ( -8.661 -5.000 -7.862) 12.721 12.668 ( -0.854 -0.493 -3.304) 3.448 12.834 ( -3.170 -1.830 -20.912) 21.230 14.020 ( 11.041 6.374 14.470) 19.285 14.935 ( -13.740 -7.933 21.560) 26.768======================= Grid point 244 (31/165) =======================q-point: ( 0.20 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.428 ( 17.584 10.152 7.348) 21.593 1.754 ( 21.427 12.371 1.039) 24.763 2.997 ( 28.065 16.203 8.149) 33.416 3.338 ( 5.398 3.117 -1.870) 6.507 3.709 ( 14.982 8.650 -8.639) 19.337 4.183 ( 2.050 1.184 -0.878) 2.525 4.808 ( 7.983 4.609 4.853) 10.418 5.172 ( -1.761 -1.017 -5.941) 6.279 5.610 ( -6.548 -3.781 2.234) 7.885 10.470 ( -10.059 -5.807 3.213) 12.051 11.168 ( -12.408 -7.164 1.205) 14.378 12.593 ( -15.746 -9.091 -14.321) 23.145 12.672 ( 1.313 0.758 -2.387) 2.828 14.247 ( 8.090 4.671 21.962) 23.866 14.824 ( 1.332 0.769 -4.690) 4.935======================= Grid point 245 (32/165) =======================q-point: ( 0.27 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.833 ( 16.958 9.790 2.134) 19.697 2.215 ( 17.983 10.382 -2.045) 20.865 3.460 ( 4.796 2.769 2.174) 5.949 3.498 ( 13.994 8.079 -10.444) 19.240 4.107 ( 19.331 11.161 4.267) 22.726 4.244 ( 3.210 1.853 -2.810) 4.651 5.012 ( 8.999 5.196 11.431) 15.448 5.141 ( -0.843 -0.487 -2.019) 2.241 5.495 ( -2.995 -1.729 -1.878) 3.935 10.195 ( -13.148 -7.591 2.178) 15.338 10.904 ( -9.801 -5.658 2.688) 11.632 12.176 ( -19.069 -11.010 -8.285) 23.527 12.729 ( 3.408 1.967 -1.371) 4.167 14.395 ( 4.700 2.714 19.059) 19.817 14.904 ( 4.512 2.605 -13.061) 14.062======================= Grid point 246 (33/165) =======================q-point: ( 0.33 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.204 ( 14.665 8.467 -2.409) 17.105 2.590 ( 14.300 8.256 -5.101) 17.282 3.551 ( 2.815 1.625 6.198) 6.999 3.687 ( 3.656 2.111 -12.481) 13.176 4.329 ( 3.974 2.295 -4.522) 6.443 4.549 ( 17.006 9.818 8.479) 21.389 5.039 ( -3.538 -2.043 4.634) 6.178 5.293 ( 9.588 5.535 3.118) 11.501 5.484 ( 2.606 1.505 1.712) 3.462 9.881 ( -13.258 -7.654 1.681) 15.401 10.727 ( -5.202 -3.003 1.374) 6.162 11.731 ( -18.808 -10.859 -4.556) 22.190 12.820 ( 4.184 2.416 -0.695) 4.881 14.468 ( 1.595 0.921 13.921) 14.042 15.015 ( 5.005 2.890 -13.122) 14.339======================= Grid point 247 (34/165) =======================q-point: ( 0.40 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.507 ( 11.154 6.440 -6.127) 14.263 2.893 ( 12.074 6.971 -7.560) 15.860 3.582 ( -0.272 -0.157 8.888) 8.893 3.705 ( -1.842 -1.063 -5.254) 5.668 4.422 ( 3.783 2.184 -5.055) 6.681 4.851 ( 8.409 4.855 7.308) 12.152 4.959 ( -2.711 -1.565 1.292) 3.386 5.419 ( 2.391 1.381 -5.392) 6.058 5.645 ( 8.849 5.109 11.508) 15.390 9.605 ( -9.916 -5.725 1.668) 11.571 10.668 ( 0.208 0.120 -0.796) 0.831 11.314 ( -16.755 -9.673 -2.107) 19.461 12.911 ( 3.372 1.947 -0.365) 3.911 14.475 ( -0.837 -0.483 9.545) 9.594 15.136 ( 5.349 3.088 -10.484) 12.168======================= Grid point 248 (35/165) =======================q-point: ( 0.47 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.716 ( 6.667 3.849 -8.283) 11.308 3.168 ( 11.812 6.819 -8.752) 16.206 3.534 ( -3.807 -2.198 9.481) 10.451 3.605 ( -6.637 -3.832 0.746) 7.701 4.497 ( 2.451 1.415 -4.268) 5.122 4.887 ( -2.083 -1.202 1.384) 2.775 4.978 ( 1.326 0.766 2.500) 2.932 5.454 ( 0.545 0.315 -4.063) 4.111 5.795 ( 3.237 1.869 10.557) 11.199 9.442 ( -3.807 -2.198 1.745) 4.729 10.727 ( 3.881 2.241 -4.257) 6.181 10.974 ( -11.172 -6.450 0.318) 12.904 12.968 ( 1.406 0.812 -0.189) 1.635 14.438 ( -2.137 -1.234 6.427) 6.885 15.261 ( 5.268 3.042 -6.780) 9.109======================= Grid point 249 (36/165) =======================q-point: (-0.47 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.806 ( 0.673 0.388 -7.209) 7.251 3.372 ( -6.935 -4.004 -8.406) 11.610 3.414 ( -6.118 -3.532 7.010) 9.952 3.480 ( 8.772 5.065 3.062) 10.582 4.530 ( 0.339 0.196 -2.776) 2.804 4.833 ( -2.636 -1.522 -1.170) 3.261 4.947 ( -4.091 -2.362 1.216) 4.877 5.429 ( -2.896 -1.672 -2.545) 4.202 5.785 ( -3.782 -2.183 8.908) 9.921 9.436 ( 3.325 1.920 1.561) 4.145 10.672 ( -6.642 -3.835 -4.783) 9.039 10.976 ( 9.325 5.384 -1.224) 10.837 12.974 ( -0.916 -0.529 -0.000) 1.058 14.383 ( -2.484 -1.434 4.469) 5.311 15.375 ( 4.390 2.535 -2.591) 5.693======================= Grid point 250 (37/165) =======================q-point: (-0.40 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.724 ( -8.099 -4.676 -0.430) 9.362 3.089 ( -14.338 -8.278 -0.435) 16.562 3.281 ( -4.585 -2.647 -0.440) 5.312 3.773 ( 13.312 7.685 -4.465) 16.006 4.512 ( -1.845 -1.065 -1.189) 2.440 4.742 ( -8.391 -4.845 -6.747) 11.807 4.780 ( -8.049 -4.647 5.021) 10.563 5.321 ( -5.994 -3.461 -1.087) 7.006 5.655 ( -6.307 -3.642 5.932) 9.393 9.586 ( 9.197 5.310 1.023) 10.669 10.574 ( -1.140 -0.658 -3.544) 3.781 11.247 ( 13.087 7.556 -5.201) 15.982 12.930 ( -2.687 -1.552 0.279) 3.116 14.325 ( -2.461 -1.421 3.707) 4.671 15.458 ( 2.597 1.499 1.598) 3.398======================= Grid point 251 (38/165) =======================q-point: (-0.33 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.442 ( -15.383 -8.881 6.667) 18.973 2.723 ( -17.045 -9.841 0.243) 19.684 3.204 ( -2.409 -1.391 -7.226) 7.743 4.058 ( 8.911 5.145 -9.014) 13.680 4.361 ( -19.835 -11.452 1.058) 22.928 4.449 ( -3.404 -1.965 0.180) 3.935 4.629 ( -7.970 -4.602 2.340) 9.496 5.183 ( -4.985 -2.878 -0.460) 5.775 5.533 ( -3.678 -2.124 0.976) 4.358 9.841 ( 12.139 7.009 0.308) 14.020 10.627 ( 5.700 3.291 -1.954) 6.865 11.565 ( 13.919 8.036 -9.820) 18.835 12.858 ( -3.205 -1.850 0.611) 3.750 14.266 ( -2.767 -1.598 4.415) 5.450 15.490 ( 0.059 0.034 5.361) 5.362======================= Grid point 252 (39/165) =======================q-point: (-0.27 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.041 ( -18.432 -10.642 10.787) 23.861 2.296 ( -19.691 -11.369 0.655) 22.747 3.155 ( -1.922 -1.109 -9.870) 10.116 3.693 ( -29.452 -17.004 2.384) 34.092 4.269 ( -5.493 -3.171 -17.755) 18.854 4.361 ( -3.941 -2.276 1.204) 4.708 4.447 ( -0.565 -0.326 12.943) 12.960 5.111 ( -1.408 -0.813 -2.176) 2.716 5.499 ( 1.016 0.586 -2.092) 2.399 10.126 ( 11.886 6.862 -0.192) 13.726 10.838 ( 12.283 7.092 1.187) 14.233 11.883 ( 13.173 7.605 -16.174) 22.203 12.791 ( -2.354 -1.359 0.788) 2.830 14.190 ( -3.914 -2.260 6.734) 8.110 15.459 ( -2.647 -1.528 8.764) 9.282======================= Grid point 253 (40/165) =======================q-point: (-0.20 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.605 ( -18.628 -10.755 14.464) 25.921 1.805 ( -22.495 -12.987 1.123) 25.999 2.956 ( -32.992 -19.048 10.960) 39.642 3.112 ( -1.805 -1.042 -10.630) 10.832 3.938 ( -17.370 -10.028 -7.176) 21.302 4.273 ( -3.476 -2.007 1.826) 4.409 4.539 ( 2.862 1.653 -1.797) 3.762 5.110 ( 1.633 0.943 -5.909) 6.203 5.585 ( 6.125 3.536 0.272) 7.078 10.378 ( 9.469 5.467 -0.017) 10.934 11.184 ( 16.765 9.679 4.220) 19.813 12.168 ( 11.087 6.401 -23.381) 26.656 12.754 ( -0.855 -0.494 0.487) 1.101 14.078 ( -5.650 -3.262 9.969) 11.914 15.377 ( -3.891 -2.247 13.231) 13.973======================= Grid point 254 (41/165) =======================q-point: (-0.13 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.189 ( -16.808 -9.704 19.132) 27.253 1.257 ( -24.074 -13.899 3.722) 28.047 2.185 ( -32.718 -18.890 21.916) 43.676 3.074 ( -1.336 -0.771 -10.559) 10.671 3.536 ( -16.317 -9.420 -6.343) 19.880 4.204 ( -2.431 -1.403 2.068) 3.486 4.516 ( -4.958 -2.862 -7.814) 9.687 5.212 ( 7.285 4.206 -9.529) 12.711 5.773 ( 10.219 5.900 9.056) 14.875 10.563 ( 6.431 3.713 1.003) 7.493 11.543 ( 10.787 6.228 -3.013) 12.815 12.391 ( 8.383 4.840 -23.553) 25.464 12.747 ( 0.104 0.060 -0.442) 0.458 13.932 ( -6.738 -3.890 10.264) 12.879 15.333 ( 2.460 1.420 23.630) 23.800======================= Grid point 255 (42/165) =======================q-point: (-0.07 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.748 ( -16.533 -9.545 17.081) 25.617 0.840 ( -12.629 -7.291 25.333) 29.230 1.466 ( -27.885 -16.100 35.364) 47.827 3.055 ( -0.215 -0.124 -9.953) 9.956 3.215 ( -10.623 -6.133 -7.546) 14.402 4.160 ( -1.353 -0.781 2.040) 2.570 4.323 ( -10.891 -6.288 -8.664) 15.271 5.412 ( 8.177 4.721 -18.270) 20.566 6.136 ( 24.204 13.974 27.093) 38.925 10.680 ( 3.729 2.153 2.513) 4.985 11.429 ( -25.613 -14.788 -26.287) 39.569 12.600 ( 9.421 5.439 -6.487) 12.666 12.749 ( -0.122 -0.070 -1.738) 1.743 13.765 ( -7.487 -4.323 2.352) 8.959 15.672 ( 30.366 17.532 36.194) 50.393======================= Grid point 257 (43/165) =======================q-point: ( 0.07 0.07 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.018 ( 4.074 19.767 17.231) 26.537 1.104 ( 12.304 22.130 8.645) 26.756 2.021 ( 21.625 30.655 25.359) 45.282 3.118 ( 5.988 0.627 -9.329) 11.103 3.385 ( 3.239 15.705 -7.647) 17.766 4.165 ( -0.901 2.434 1.072) 2.808 4.519 ( 7.844 7.032 -7.141) 12.727 5.276 ( -3.310 -8.262 -11.171) 14.283 5.851 ( -6.174 -12.310 13.734) 19.449 10.646 ( 0.435 -6.493 2.767) 7.071 11.535 ( -6.696 -1.731 -11.263) 13.217 12.521 ( 3.201 -13.419 -11.052) 17.677 12.823 ( 5.659 1.048 -10.508) 11.980 13.919 ( 7.537 7.765 9.471) 14.381 15.210 ( -19.740 -6.674 28.995) 35.706======================= Grid point 258 (44/165) =======================q-point: ( 0.13 0.07 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.343 ( 9.825 19.596 11.469) 24.740 1.582 ( 16.371 20.312 1.835) 26.152 2.728 ( 25.091 25.400 14.063) 38.373 3.253 ( 7.478 1.918 -6.451) 10.060 3.634 ( 7.066 15.389 -7.745) 18.621 4.185 ( 0.167 2.947 -0.827) 3.065 4.705 ( 8.000 3.012 1.107) 8.620 5.175 ( -1.165 -3.717 -7.393) 8.357 5.661 ( -5.161 -7.048 3.919) 9.574 10.537 ( -4.866 -7.691 2.712) 9.497 11.288 ( -11.263 -10.280 0.363) 15.254 12.411 ( 2.525 -19.386 -10.274) 22.085 12.847 ( -3.858 1.001 -10.610) 11.334 14.158 ( 9.960 7.202 15.521) 19.798 14.944 ( -11.210 6.277 8.521) 15.417======================= Grid point 259 (45/165) =======================q-point: ( 0.20 0.07 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.729 ( 11.747 18.641 6.044) 22.848 2.053 ( 15.711 16.659 -1.059) 22.923 3.332 ( 16.874 14.942 -4.243) 22.935 3.409 ( 7.157 5.600 -0.118) 9.088 3.945 ( 12.430 13.840 -0.010) 18.603 4.231 ( 1.487 3.356 -3.421) 5.018 4.887 ( 9.928 3.235 9.012) 13.793 5.141 ( -0.339 -1.938 -3.250) 3.799 5.525 ( -3.606 -4.267 -1.011) 5.678 10.322 ( -10.101 -8.683 2.022) 13.473 10.997 ( -9.659 -9.787 2.994) 14.073 12.189 ( -4.153 -22.354 -8.645) 24.325 12.793 ( -3.947 5.127 -4.262) 7.747 14.377 ( 5.872 7.777 16.793) 19.415 14.894 ( -2.059 4.480 -6.248) 7.959======================= Grid point 260 (46/165) =======================q-point: ( 0.27 0.07 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.110 ( 10.965 16.798 1.394) 20.109 2.457 ( 13.172 13.343 -3.719) 19.115 3.512 ( 4.048 2.027 0.115) 4.529 3.670 ( 4.885 9.611 -10.576) 15.103 4.280 ( 5.911 3.408 -1.192) 6.927 4.378 ( 14.079 12.897 4.952) 19.725 5.057 ( 0.669 -1.350 8.319) 8.455 5.165 ( 9.180 3.736 3.098) 10.384 5.461 ( -0.118 -1.621 -2.539) 3.014 10.028 ( -12.680 -8.921 1.466) 15.573 10.772 ( -5.895 -7.191 2.218) 9.560 11.839 ( -10.771 -19.529 -5.241) 22.910 12.824 ( 0.512 6.026 -1.694) 6.280 14.506 ( -0.112 7.673 15.244) 17.066 14.939 ( 4.208 0.393 -12.277) 12.984======================= Grid point 261 (47/165) =======================q-point: ( 0.33 0.07 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.437 ( 8.557 13.785 -2.823) 16.468 2.787 ( 10.674 11.448 -6.195) 16.833 3.565 ( 1.207 -0.733 4.290) 4.516 3.772 ( -1.882 6.900 -6.277) 9.516 4.385 ( 3.900 3.338 -5.160) 7.279 4.738 ( 11.718 8.329 7.447) 16.191 4.993 ( -3.072 -2.252 3.137) 4.934 5.375 ( 5.424 2.587 -2.657) 6.571 5.516 ( 8.618 1.478 8.054) 11.888 9.727 ( -11.460 -7.657 1.379) 13.852 10.654 ( -1.008 -4.103 0.434) 4.248 11.447 ( -12.942 -16.058 -2.370) 20.760 12.910 ( 1.707 6.113 -0.823) 6.400 14.533 ( -3.612 4.864 11.032) 12.586 15.040 ( 7.031 -0.374 -11.479) 13.466======================= Grid point 262 (48/165) =======================q-point: ( 0.40 0.07 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.680 ( 5.438 9.986 -6.271) 12.985 3.072 ( 9.266 10.786 -7.057) 15.875 3.538 ( -1.652 -3.814 6.712) 7.894 3.754 ( -7.359 5.723 -0.419) 9.332 4.481 ( 2.626 3.750 -4.921) 6.721 4.914 ( -0.576 0.748 4.812) 4.903 4.945 ( 2.562 0.697 1.135) 2.888 5.433 ( 1.767 -0.051 -4.745) 5.064 5.706 ( 8.402 0.824 10.691) 13.622 9.500 ( -6.724 -4.705 1.546) 8.352 10.655 ( 4.149 -1.460 -1.806) 4.755 11.084 ( -11.519 -12.294 -0.392) 16.852 12.990 ( 0.258 5.806 -0.508) 5.834 14.495 ( -4.302 2.004 7.242) 8.658 15.166 ( 7.316 -0.032 -8.310) 11.072======================= Grid point 263 (49/165) =======================q-point: ( 0.47 0.07 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.825 ( 1.339 6.582 -7.678) 10.201 3.308 ( 5.168 3.688 -5.439) 8.360 3.454 ( -1.040 -1.247 7.141) 7.323 3.639 ( -11.735 5.945 0.974) 13.191 4.543 ( 0.258 3.171 -3.538) 4.758 4.871 ( -2.626 -0.287 -0.131) 2.645 4.971 ( -0.885 -1.391 1.858) 2.484 5.439 ( -0.404 -1.899 -3.032) 3.601 5.782 ( 1.328 -3.068 9.157) 9.748 9.413 ( 0.130 -0.592 1.583) 1.696 10.704 ( -0.979 -5.332 -5.549) 7.758 10.876 ( 2.488 -2.214 1.917) 3.842 13.026 ( -2.363 4.801 -0.315) 5.360 14.435 ( -3.942 0.852 4.686) 6.183 15.287 ( 6.671 -0.496 -4.477) 8.049======================= Grid point 265 (50/165) =======================q-point: (-0.47 0.07 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.840 ( -5.973 2.789 -4.162) 7.796 3.190 ( -8.189 -8.789 -0.479) 12.022 3.431 ( -9.984 1.401 5.545) 11.506 3.679 ( 7.362 12.868 -5.578) 15.839 4.548 ( -2.356 1.280 -2.040) 3.369 4.814 ( -3.981 -0.427 -3.056) 5.037 4.880 ( -6.812 -3.957 1.879) 8.099 5.371 ( -3.917 -3.986 -1.531) 5.794 5.705 ( -4.210 -5.428 7.156) 9.920 9.492 ( 6.854 3.527 1.282) 7.814 10.581 ( -2.543 -4.625 -3.572) 6.373 11.060 ( 13.495 2.611 -2.370) 13.948 13.005 ( -4.663 3.264 -0.073) 5.692 14.380 ( -3.639 1.285 3.107) 4.955 15.382 ( 5.471 -2.002 -0.343) 5.836======================= Grid point 266 (51/165) =======================q-point: (-0.40 0.07 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.652 ( -15.111 -2.622 4.105) 15.876 2.912 ( -14.021 -7.960 -1.422) 16.185 3.298 ( -7.015 3.160 -2.973) 8.249 3.953 ( 9.775 9.456 -5.803) 14.787 4.475 ( -5.836 -4.419 -2.768) 7.826 4.611 ( -15.306 -5.562 -0.133) 16.286 4.743 ( -6.482 0.616 1.922) 6.789 5.239 ( -5.425 -4.408 -0.128) 6.991 5.572 ( -4.225 -4.363 3.110) 6.823 9.706 ( 11.271 6.356 0.691) 12.958 10.562 ( 3.426 -0.377 -2.579) 4.305 11.349 ( 16.070 2.647 -6.029) 17.367 12.939 ( -5.566 2.021 0.110) 5.923 14.332 ( -4.056 2.363 2.788) 5.460 15.432 ( 3.710 -4.286 3.545) 6.686======================= Grid point 267 (52/165) =======================q-point: (-0.33 0.07 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.296 ( -19.863 -5.697 8.813) 22.465 2.545 ( -18.977 -7.302 -0.280) 20.336 3.234 ( -5.069 3.897 -8.295) 10.473 4.020 ( -21.086 -10.075 -5.901) 24.103 4.242 ( 3.512 0.986 -3.026) 4.740 4.389 ( -8.279 -4.487 -0.800) 9.451 4.615 ( -9.719 3.970 7.044) 12.643 5.130 ( -2.503 -2.164 -0.748) 3.392 5.493 ( -0.904 -1.743 -1.321) 2.366 9.987 ( 12.434 7.176 0.090) 14.357 10.695 ( 9.949 3.382 -0.274) 10.512 11.660 ( 16.626 1.794 -10.780) 19.896 12.865 ( -4.856 1.972 -0.156) 5.243 14.279 ( -5.441 3.063 4.211) 7.531 15.421 ( 1.532 -6.965 6.762) 9.828======================= Grid point 268 (53/165) =======================q-point: (-0.27 0.07 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.870 ( -21.389 -6.560 11.861) 25.322 2.106 ( -22.888 -7.165 0.293) 23.985 3.188 ( -4.914 3.894 -10.118) 11.903 3.395 ( -32.958 -11.255 4.977) 35.181 4.122 ( -14.360 -9.174 -4.888) 17.727 4.293 ( -0.835 -2.228 -4.689) 5.258 4.571 ( -2.104 8.059 6.563) 10.604 5.103 ( 0.067 0.209 -3.421) 3.428 5.516 ( 4.115 0.972 -1.882) 4.629 10.263 ( 10.915 6.278 -0.009) 12.591 10.969 ( 15.855 5.434 3.172) 17.058 11.959 ( 15.782 1.341 -16.152) 22.622 12.819 ( -3.177 3.259 -1.656) 4.843 14.196 ( -7.634 2.948 7.445) 11.063 15.346 ( -0.343 -9.727 9.640) 13.699======================= Grid point 269 (54/165) =======================q-point: (-0.20 0.07 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.432 ( -20.737 -6.652 15.085) 26.492 1.606 ( -26.259 -6.137 1.194) 26.993 2.690 ( -36.688 -6.017 14.453) 39.888 3.146 ( -4.615 4.134 -9.957) 11.727 3.745 ( -17.370 -8.385 -5.917) 20.175 4.227 ( -2.738 -2.442 -0.096) 3.670 4.603 ( -3.524 4.371 -1.734) 5.876 5.143 ( 3.730 2.045 -7.311) 8.459 5.646 ( 8.472 2.204 2.876) 9.214 10.486 ( 8.140 4.792 0.888) 9.487 11.320 ( 17.685 2.663 3.058) 18.144 12.241 ( 13.603 4.055 -18.382) 23.224 12.818 ( -1.986 4.832 -5.504) 7.588 14.071 ( -9.647 2.474 11.168) 14.963 15.230 ( 0.885 -12.298 14.737) 19.215======================= Grid point 274 (55/165) =======================q-point: ( 0.13 0.13 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.767 ( 8.205 21.760 10.514) 25.521 2.015 ( 10.798 21.815 -0.673) 24.350 3.249 ( 12.183 19.731 -2.897) 23.369 3.316 ( 11.176 10.199 -1.164) 15.175 3.966 ( 3.448 16.607 -1.010) 16.992 4.254 ( -0.047 3.326 -5.390) 6.334 4.735 ( 9.463 0.452 7.082) 11.828 5.119 ( 0.353 -1.799 -3.960) 4.364 5.531 ( -2.666 -5.297 -1.134) 6.038 10.351 ( -4.193 -10.756 0.902) 11.579 11.032 ( -7.662 -14.203 3.812) 16.581 12.022 ( -3.158 -18.143 -11.592) 21.760 12.863 ( 0.357 1.037 -5.074) 5.191 14.295 ( 10.278 5.942 8.862) 14.815 15.094 ( -11.566 7.335 6.204) 15.035======================= Grid point 275 (56/165) =======================q-point: ( 0.20 0.13 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.134 ( 8.754 20.585 6.465) 23.285 2.405 ( 10.712 17.894 -2.595) 21.017 3.442 ( 6.263 1.966 -6.353) 9.135 3.712 ( 6.608 18.277 -6.829) 20.600 4.209 ( 6.962 8.783 6.721) 13.069 4.329 ( 5.625 8.631 -5.482) 11.670 4.941 ( 11.302 1.938 11.988) 16.589 5.106 ( 0.395 -0.963 -1.082) 1.502 5.455 ( -1.493 -2.312 -3.476) 4.434 10.123 ( -9.018 -11.015 0.726) 14.254 10.786 ( -5.822 -10.599 2.661) 12.382 11.760 ( -5.125 -19.725 -6.236) 21.313 12.886 ( -0.229 4.703 -2.767) 5.462 14.524 ( 8.425 5.911 7.071) 12.486 14.977 ( -8.063 3.793 -0.875) 8.953======================= Grid point 276 (57/165) =======================q-point: ( 0.27 0.13 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.467 ( 6.869 17.460 2.359) 18.911 2.749 ( 9.474 15.625 -4.377) 18.790 3.526 ( 2.529 -0.687 -1.159) 2.866 3.905 ( -1.398 13.587 -7.095) 15.392 4.341 ( 5.053 2.916 -4.840) 7.581 4.629 ( 11.442 11.108 6.345) 17.163 5.011 ( -1.207 -2.331 5.019) 5.664 5.251 ( 11.877 4.113 5.830) 13.856 5.431 ( 0.893 -1.336 -2.320) 2.822 9.837 ( -10.804 -10.012 0.732) 14.749 10.625 ( -2.245 -7.137 1.193) 7.576 11.449 ( -8.084 -18.497 -2.152) 20.301 12.957 ( 1.184 7.273 -1.462) 7.512 14.672 ( -1.305 8.033 10.034) 12.919 14.916 ( 2.109 -2.441 -9.156) 9.707======================= Grid point 277 (58/165) =======================q-point: ( 0.33 0.13 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.716 ( 4.174 13.025 -2.131) 13.843 3.055 ( 7.887 14.941 -4.287) 17.430 3.521 ( -0.535 -3.352 3.661) 4.992 3.962 ( -6.327 11.506 -2.975) 13.464 4.467 ( 4.425 4.811 -5.953) 8.841 4.869 ( 6.583 4.415 4.939) 9.339 4.959 ( -2.341 -0.928 2.410) 3.485 5.401 ( 1.660 0.230 -4.560) 4.858 5.531 ( 11.295 -0.334 9.505) 14.766 9.574 ( -8.431 -7.466 1.003) 11.306 10.568 ( 2.284 -4.269 -0.104) 4.843 11.122 ( -9.097 -15.525 0.322) 17.997 13.058 ( 0.739 8.433 -0.971) 8.521 14.636 ( -7.900 4.770 7.319) 11.778 15.008 ( 9.090 -2.539 -8.646) 12.800======================= Grid point 278 (59/165) =======================q-point: ( 0.40 0.13 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.882 ( 1.827 9.636 -5.472) 11.231 3.307 ( 3.742 10.987 -1.464) 11.699 3.453 ( -1.407 -3.724 5.765) 7.006 3.922 ( -10.713 10.758 -1.802) 15.289 4.575 ( 1.526 5.651 -4.559) 7.419 4.914 ( -2.138 -0.208 -0.242) 2.161 4.956 ( 1.301 -0.179 3.490) 3.728 5.413 ( 0.778 -1.911 -3.149) 3.765 5.677 ( 6.615 -3.598 8.251) 11.171 9.416 ( -2.724 -3.602 1.264) 4.690 10.606 ( 5.216 -3.489 -2.104) 6.619 10.850 ( -5.384 -10.143 2.074) 11.669 13.135 ( -1.953 8.131 -0.801) 8.400 14.543 ( -6.463 2.597 4.217) 8.142 15.138 ( 8.375 -2.640 -5.520) 10.372======================= Grid point 279 (60/165) =======================q-point: (-0.53 0.13 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.970 ( -2.278 7.608 -6.215) 10.084 3.248 ( -7.569 -5.742 3.181) 10.019 3.520 ( 1.115 3.595 7.001) 7.949 3.854 ( -8.764 14.648 -6.301) 18.195 4.619 ( -2.545 4.039 -2.660) 5.465 4.873 ( -2.665 0.003 -2.577) 3.707 4.930 ( -2.693 -2.096 2.336) 4.136 5.379 ( -1.645 -3.842 -1.447) 4.423 5.682 ( 0.154 -6.448 6.649) 9.263 9.415 ( 4.333 0.644 1.252) 4.556 10.566 ( -2.220 -6.860 -2.682) 7.693 10.853 ( 10.499 -0.876 1.168) 10.600 13.144 ( -5.321 6.253 -0.552) 8.229 14.474 ( -4.591 3.213 1.947) 5.932 15.238 ( 6.989 -4.358 -1.928) 8.459======================= Grid point 280 (61/165) =======================q-point: (-0.47 0.13 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.902 ( -13.140 2.359 2.358) 13.557 3.042 ( -8.653 -5.029 -3.812) 10.709 3.463 ( -7.163 1.573 4.653) 8.685 3.960 ( 1.834 14.255 -6.414) 15.738 4.552 ( -6.825 -2.111 -3.537) 7.972 4.778 ( -8.395 -2.954 -2.353) 9.205 4.855 ( -4.369 2.478 3.023) 5.863 5.280 ( -4.432 -4.472 0.406) 6.309 5.584 ( -2.953 -6.169 4.009) 7.928 9.570 ( 10.236 3.873 0.921) 10.983 10.502 ( 1.444 -2.946 -2.100) 3.895 11.085 ( 15.287 0.220 -1.591) 15.371 13.082 ( -7.195 3.686 -0.316) 8.090 14.444 ( -4.067 5.290 0.325) 6.680 15.290 ( 5.473 -7.069 1.885) 9.137======================= Grid point 281 (62/165) =======================q-point: (-0.40 0.13 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.600 ( -19.168 -3.025 7.318) 20.739 2.796 ( -15.773 -3.343 -3.026) 16.405 3.381 ( -5.674 4.505 -3.928) 8.241 4.129 ( 2.384 7.301 -7.582) 10.792 4.309 ( -13.275 -10.118 -4.837) 17.378 4.560 ( -13.023 -0.619 3.107) 13.402 4.809 ( -6.264 5.852 5.346) 10.102 5.159 ( -4.105 -3.141 0.831) 5.235 5.490 ( -1.603 -3.543 -0.218) 3.895 9.826 ( 13.219 4.963 0.410) 14.126 10.565 ( 7.065 0.789 -0.865) 7.162 11.372 ( 16.981 0.417 -4.877) 17.672 12.985 ( -6.597 1.838 -0.612) 6.875 14.427 ( -5.335 7.006 0.379) 8.814 15.285 ( 3.746 -10.055 4.933) 11.809======================= Grid point 282 (63/165) =======================q-point: (-0.33 0.13 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.202 ( -21.995 -3.921 9.061) 24.109 2.438 ( -20.803 -3.390 -1.282) 21.117 3.337 ( -5.696 5.681 -8.177) 11.470 3.821 ( -25.297 -7.939 -5.035) 26.987 4.232 ( -2.828 -2.707 5.619) 6.848 4.328 ( -9.731 -0.677 -9.108) 13.346 4.756 ( -7.613 8.886 10.314) 15.598 5.102 ( -0.220 -0.556 -0.968) 1.138 5.466 ( 1.636 -0.922 -2.893) 3.449 10.106 ( 13.195 3.879 0.165) 13.754 10.757 ( 12.599 2.548 1.825) 12.983 11.682 ( 17.308 1.802 -8.817) 19.508 12.903 ( -4.109 0.975 -2.013) 4.678 14.387 ( -7.781 7.205 3.136) 11.059 15.218 ( 1.647 -12.486 6.301) 14.083======================= Grid point 290 (64/165) =======================q-point: ( 0.20 0.20 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.531 ( 6.620 18.409 6.051) 20.477 2.759 ( 8.431 16.605 -2.912) 18.849 3.464 ( 4.455 0.550 -3.744) 5.845 4.087 ( -0.569 18.499 -9.453) 20.782 4.264 ( 4.944 -0.684 -3.073) 5.861 4.570 ( 8.745 11.911 3.989) 15.306 4.950 ( 7.130 -0.810 8.507) 11.129 5.133 ( 3.994 3.707 2.142) 5.855 5.436 ( -1.660 0.410 -2.825) 3.303 9.882 ( -7.027 -12.634 0.298) 14.460 10.591 ( -2.880 -8.226 0.775) 8.750 11.395 ( -7.022 -16.594 -3.084) 18.281 12.996 ( 2.619 6.218 -1.345) 6.880 14.597 ( 10.988 1.350 -0.931) 11.109 15.050 ( -12.092 3.352 3.980) 13.164======================= Grid point 291 (65/165) =======================q-point: ( 0.27 0.20 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.785 ( 3.660 13.931 1.612) 14.493 3.069 ( 8.738 14.942 -2.289) 17.460 3.497 ( 0.165 -1.439 2.079) 2.534 4.196 ( -4.969 14.182 -4.415) 15.663 4.404 ( 8.087 3.847 -8.126) 12.092 4.803 ( 6.649 5.813 3.601) 9.537 4.979 ( -0.399 -0.731 3.944) 4.031 5.316 ( 10.701 1.978 6.189) 12.519 5.413 ( -1.091 -0.097 -2.098) 2.367 9.630 ( -7.823 -10.228 0.533) 12.888 10.498 ( 0.046 -5.076 0.367) 5.089 11.105 ( -7.453 -15.514 0.688) 17.225 13.118 ( 2.548 8.523 -0.990) 8.950 14.788 ( 9.039 1.041 -1.796) 9.274 14.874 ( -9.774 0.644 1.048) 9.851======================= Grid point 292 (66/165) =======================q-point: ( 0.33 0.20 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.950 ( 1.748 10.259 -2.126) 10.622 3.347 ( 7.320 11.026 0.263) 13.237 3.451 ( -3.475 -1.484 5.674) 6.817 4.215 ( -8.424 13.028 -3.669) 15.942 4.582 ( 5.452 6.629 -6.834) 10.971 4.903 ( 1.885 -0.735 0.375) 2.058 4.965 ( -0.971 1.235 3.801) 4.112 5.391 ( -0.561 -1.150 -2.348) 2.674 5.495 ( 9.439 -3.241 6.652) 11.993 9.431 ( -4.627 -6.480 0.839) 8.007 10.491 ( 3.615 -3.013 0.231) 4.712 10.838 ( -6.274 -12.377 2.498) 14.100 13.238 ( 0.481 8.995 -0.995) 9.063 14.710 ( -9.386 2.476 2.859) 10.119 14.950 ( 9.495 -2.975 -4.936) 11.108======================= Grid point 293 (67/165) =======================q-point: ( 0.40 0.20 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.062 ( 0.494 8.143 -4.519) 9.326 3.330 ( -6.270 -4.425 5.806) 9.623 3.537 ( 2.237 7.254 5.300) 9.258 4.178 ( -10.554 14.060 -5.550) 18.435 4.704 ( -0.118 6.861 -3.918) 7.902 4.883 ( -0.624 -3.484 -2.858) 4.550 4.958 ( -1.537 0.987 3.425) 3.881 5.361 ( -0.649 -2.959 -0.933) 3.170 5.571 ( 4.806 -6.567 5.196) 9.655 9.356 ( 1.388 -2.332 1.001) 2.892 10.519 ( 0.867 -4.629 -0.712) 4.763 10.697 ( 3.531 -5.084 3.368) 7.047 13.296 ( -3.661 7.190 -0.938) 8.123 14.603 ( -6.111 3.694 0.932) 7.201 15.060 ( 7.661 -5.070 -2.811) 9.607======================= Grid point 295 (68/165) =======================q-point: (-0.53 0.20 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.119 ( -2.850 3.178 -6.828) 8.053 3.139 ( -10.984 -1.080 5.727) 12.434 3.558 ( -3.605 0.124 8.482) 9.217 4.168 ( -6.943 14.953 -7.087) 17.945 4.667 ( -7.983 -1.213 -4.110) 9.060 4.843 ( -1.528 -1.215 -2.799) 3.412 4.938 ( -2.300 2.396 2.950) 4.442 5.305 ( -2.539 -2.508 1.237) 3.778 5.542 ( 0.329 -6.865 3.394) 7.665 9.432 ( 7.928 0.807 0.901) 8.020 10.458 ( -0.313 -3.473 -0.636) 3.545 10.834 ( 12.750 -0.814 1.884) 12.914 13.252 ( -7.478 3.840 -0.638) 8.431 14.573 ( -3.641 6.670 -1.468) 7.739 15.112 ( 5.832 -8.016 0.501) 9.926======================= Grid point 296 (69/165) =======================q-point: (-0.47 0.20 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.869 ( -14.839 -4.307 4.919) 16.216 3.037 ( -12.701 2.598 -4.556) 13.741 3.486 ( -3.090 0.613 3.165) 4.466 4.221 ( -2.634 10.637 -5.193) 12.126 4.432 ( -12.171 -8.936 -8.222) 17.192 4.761 ( -8.425 1.106 1.811) 8.688 4.934 ( -2.000 4.275 4.174) 6.301 5.224 ( -5.278 0.023 3.134) 6.138 5.472 ( -0.924 -4.538 0.282) 4.640 9.630 ( 12.631 1.694 0.570) 12.757 10.471 ( 3.975 -0.026 -0.539) 4.011 11.087 ( 16.015 0.353 -0.137) 16.019 13.131 ( -8.445 0.927 -0.628) 8.519 14.593 ( -3.938 9.195 -3.043) 10.455 15.104 ( 4.356 -11.064 3.697) 12.452======================= Grid point 307 (70/165) =======================q-point: ( 0.27 0.27 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.031 ( 0.910 10.491 0.622) 10.549 3.266 ( 8.565 2.765 -1.367) 9.103 3.524 ( -0.811 5.227 7.775) 9.404 4.385 ( 5.728 4.149 -3.598) 7.936 4.564 ( 1.526 11.879 -9.579) 15.336 4.862 ( 2.509 0.334 0.169) 2.537 4.978 ( 1.000 0.382 3.310) 3.479 5.327 ( 6.024 -0.410 4.486) 7.522 5.428 ( -3.956 1.065 -0.046) 4.097 9.440 ( -4.733 -8.080 0.690) 9.390 10.432 ( 0.414 -1.219 0.512) 1.385 10.827 ( -6.713 -11.948 2.608) 13.951 13.286 ( 3.873 7.626 -0.808) 8.591 14.737 ( 8.482 -3.271 -4.657) 10.215 14.928 ( -9.870 2.216 2.736) 10.479======================= Grid point 308 (71/165) =======================q-point: ( 0.33 0.27 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.132 ( 0.437 7.662 -0.970) 7.735 3.334 ( 0.589 -4.287 2.998) 5.265 3.595 ( 0.555 7.242 7.534) 10.465 4.465 ( -5.465 11.277 -4.605) 13.350 4.714 ( 5.262 4.567 -7.094) 9.944 4.869 ( -0.886 -1.475 -1.864) 2.537 4.990 ( -0.494 1.263 3.008) 3.300 5.362 ( -2.738 -1.543 0.196) 3.149 5.408 ( 5.927 -4.807 3.777) 8.515 9.323 ( -1.322 -3.920 0.796) 4.213 10.459 ( 2.603 0.062 1.472) 2.991 10.629 ( -3.212 -8.325 3.445) 9.565 13.397 ( 0.212 6.107 -1.047) 6.200 14.747 ( -5.532 1.815 -0.689) 5.862 14.889 ( 5.435 -3.291 -1.985) 6.657======================= Grid point 309 (72/165) =======================q-point: (-0.60 0.27 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.182 ( -2.911 1.158 -1.841) 3.634 3.268 ( -2.582 0.874 3.554) 4.479 3.622 ( -3.204 1.099 8.451) 9.105 4.444 ( -8.768 10.649 -5.785) 14.958 4.772 ( -3.839 -6.558 -5.500) 9.380 4.831 ( 0.436 4.270 -2.968) 5.218 4.987 ( -1.283 1.371 2.754) 3.333 5.322 ( -0.799 0.336 1.859) 2.051 5.438 ( 3.730 -5.785 2.345) 7.272 9.323 ( 4.095 -0.835 0.811) 4.258 10.450 ( -2.014 -1.628 1.316) 2.905 10.632 ( 8.810 -1.599 3.386) 9.573 13.400 ( -5.078 2.690 -0.973) 5.828 14.700 ( -3.542 5.844 -1.866) 7.084 14.938 ( 5.214 -6.697 -0.681) 8.514======================= Grid point 323 (73/165) =======================q-point: ( 0.33 0.33 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 270Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.251 ( -1.715 -3.430 1.370) 4.073 3.251 ( 1.715 3.430 1.370) 4.073 3.666 ( -0.000 -0.000 8.751) 8.751 4.662 ( -3.646 -7.292 -4.569) 9.345 4.662 ( 3.646 7.292 -4.569) 9.345 4.885 ( -0.000 -0.000 -5.119) 5.119 5.010 ( -0.000 -0.000 1.984) 1.984 5.344 ( -0.660 -1.320 2.154) 2.611 5.344 ( 0.660 1.320 2.154) 2.611 9.282 ( -0.000 -0.000 0.773) 0.773 10.502 ( -1.938 -3.876 2.931) 5.232 10.502 ( 1.938 3.876 2.931) 5.232 13.462 ( -0.000 -0.000 -1.114) 1.114 14.809 ( -2.106 -4.212 -1.462) 4.930 14.809 ( 2.106 4.212 -1.462) 4.930======================= Grid point 482 (74/165) =======================q-point: ( 0.00 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.249 ( -0.000 0.000 27.008) 27.008 1.249 ( 0.000 -0.000 27.008) 27.008 2.042 ( 0.000 0.000 45.391) 45.391 2.812 ( 0.000 0.000 -14.837) 14.837 2.812 ( 0.000 0.000 -14.837) 14.837 4.180 ( 0.000 0.000 1.780) 1.780 4.180 ( 0.000 0.000 1.780) 1.780 4.901 ( 0.000 0.000 -32.076) 32.076 6.924 ( 0.000 0.000 8.517) 8.517 10.841 ( 0.000 0.000 5.249) 5.249 10.841 ( 0.000 -0.000 5.249) 5.249 12.657 ( 0.000 0.000 -4.046) 4.046 12.657 ( -0.000 -0.000 -4.046) 4.046 13.644 ( -0.000 0.000 -0.392) 0.392 16.383 ( -0.000 0.000 1.441) 1.441======================= Grid point 483 (75/165) =======================q-point: ( 0.07 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.258 ( 3.833 2.213 25.312) 25.696 1.336 ( 5.579 3.221 27.757) 28.495 2.260 ( 16.254 9.384 33.011) 37.974 2.882 ( 8.356 4.824 -11.851) 15.282 2.893 ( 4.673 2.698 -13.977) 14.982 4.173 ( -0.052 -0.030 1.929) 1.930 4.301 ( 9.260 5.346 -0.176) 10.693 4.890 ( -0.674 -0.389 -29.121) 29.132 6.550 ( -24.760 -14.295 12.647) 31.263 10.838 ( -2.142 -1.237 4.484) 5.121 11.108 ( 16.310 9.417 -2.604) 19.013 12.618 ( -3.949 -2.280 -6.093) 7.610 12.622 ( -1.300 -0.750 -3.407) 3.723 13.783 ( 11.352 6.554 -0.204) 13.110 16.041 ( -25.360 -14.642 11.410) 31.428======================= Grid point 484 (76/165) =======================q-point: ( 0.13 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.416 ( 9.276 5.356 20.429) 23.067 1.552 ( 12.806 7.394 21.672) 26.236 2.655 ( 15.487 8.942 5.360) 18.669 3.028 ( 6.890 3.978 -12.408) 14.739 3.209 ( 19.630 11.333 2.910) 22.853 4.177 ( 0.414 0.239 1.925) 1.983 4.567 ( 12.719 7.343 -1.306) 14.744 4.890 ( 1.105 0.638 -21.874) 21.911 6.021 ( -18.926 -10.927 8.970) 23.623 10.735 ( -6.805 -3.929 2.914) 8.381 11.320 ( 0.758 0.438 -2.112) 2.287 12.482 ( -8.144 -4.702 -13.465) 16.424 12.607 ( 0.183 0.106 -2.043) 2.054 14.118 ( 15.735 9.084 0.094) 18.169 15.435 ( -23.137 -13.358 20.006) 33.376======================= Grid point 485 (77/165) =======================q-point: ( 0.20 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.667 ( 11.779 6.801 14.233) 19.687 1.893 ( 15.433 8.910 12.549) 21.796 2.965 ( 11.816 6.822 -12.361) 18.411 3.210 ( 8.550 4.937 -9.940) 14.010 3.742 ( 24.461 14.123 12.114) 30.734 4.193 ( 0.901 0.520 1.616) 1.922 4.862 ( 11.966 6.909 -0.972) 13.851 4.952 ( 4.299 2.482 -12.785) 13.715 5.673 ( -11.352 -6.554 2.885) 13.422 10.523 ( -11.187 -6.459 1.438) 12.997 11.198 ( -9.450 -5.456 2.020) 11.097 12.234 ( -12.784 -7.381 -17.367) 22.793 12.637 ( 2.378 1.373 -0.695) 2.832 14.450 ( 12.018 6.938 -1.197) 13.928 15.030 ( -11.777 -6.800 19.646) 23.894======================= Grid point 486 (78/165) =======================q-point: ( 0.27 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.944 ( 11.736 6.776 7.934) 15.704 2.232 ( 13.218 7.631 4.397) 15.884 3.229 ( 11.113 6.416 -13.512) 18.634 3.417 ( 8.997 5.194 -6.275) 12.137 4.219 ( 1.348 0.778 0.640) 1.683 4.291 ( 21.861 12.621 11.144) 27.593 5.040 ( 3.875 2.237 -7.712) 8.916 5.119 ( 7.161 4.135 -1.166) 8.351 5.506 ( -1.501 -0.867 3.031) 3.492 10.229 ( -13.631 -7.870 0.793) 15.759 10.948 ( -10.923 -6.307 1.423) 12.693 11.912 ( -14.426 -8.329 -14.622) 22.165 12.713 ( 4.035 2.329 0.041) 4.659 14.665 ( 6.241 3.603 -6.714) 9.849 14.855 ( -3.830 -2.211 19.645) 20.136======================= Grid point 487 (79/165) =======================q-point: ( 0.33 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.201 ( 10.105 5.834 2.091) 11.854 2.505 ( 10.474 6.047 -2.036) 12.264 3.474 ( 9.440 5.450 -7.542) 13.255 3.612 ( 7.294 4.211 -1.184) 8.505 4.256 ( 1.899 1.097 -1.512) 2.664 4.728 ( 15.072 8.702 7.669) 19.019 5.046 ( -3.459 -1.997 -2.310) 4.614 5.220 ( 3.810 2.200 -7.597) 8.779 5.636 ( 10.138 5.853 8.622) 14.538 9.912 ( -13.131 -7.581 0.983) 15.194 10.727 ( -7.514 -4.338 -1.321) 8.776 11.575 ( -14.356 -8.289 -9.155) 18.937 12.814 ( 4.396 2.538 0.186) 5.079 14.708 ( -1.701 -0.982 -1.178) 2.291 14.868 ( 4.088 2.360 8.529) 9.749======================= Grid point 488 (80/165) =======================q-point: ( 0.40 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.409 ( 7.661 4.423 -2.819) 9.284 2.734 ( 9.383 5.417 -6.470) 12.619 3.643 ( 4.576 2.642 -0.589) 5.317 3.734 ( 2.780 1.605 4.625) 5.630 4.311 ( 2.854 1.648 -4.498) 5.577 4.928 ( -2.437 -1.407 -2.963) 4.086 4.991 ( 4.176 2.411 3.720) 6.091 5.322 ( 4.734 2.733 -3.144) 6.306 5.869 ( 8.633 4.984 8.861) 13.338 9.642 ( -9.583 -5.533 1.550) 11.173 10.611 ( -2.510 -1.449 -4.161) 5.070 11.253 ( -13.011 -7.512 -3.517) 15.430 12.907 ( 3.399 1.962 0.057) 3.925 14.651 ( -2.854 -1.648 4.542) 5.611 14.982 ( 5.440 3.141 -1.549) 6.469======================= Grid point 489 (81/165) =======================q-point: ( 0.47 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.555 ( 4.819 2.782 -6.364) 8.453 2.942 ( 8.145 4.702 -10.877) 14.379 3.682 ( -0.783 -0.452 5.711) 5.782 3.731 ( -3.074 -1.775 8.467) 9.181 4.384 ( 3.121 1.802 -5.911) 6.923 4.847 ( -3.371 -1.946 -4.132) 5.677 5.042 ( -0.349 -0.202 2.210) 2.247 5.416 ( 2.708 1.563 0.280) 3.139 6.003 ( 2.397 1.384 8.367) 8.813 9.484 ( -3.676 -2.123 2.007) 4.696 10.593 ( 0.054 0.031 -7.062) 7.062 10.998 ( -7.650 -4.417 1.267) 8.924 12.965 ( 1.431 0.826 -0.090) 1.655 14.580 ( -3.220 -1.859 5.981) 7.042 15.121 ( 6.448 3.723 -5.475) 9.242======================= Grid point 490 (82/165) =======================q-point: (-0.47 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.631 ( 1.700 0.981 -8.116) 8.350 3.071 ( 1.497 0.864 -14.862) 14.962 3.599 ( -7.961 -4.596 9.525) 13.237 3.655 ( 0.075 0.043 9.107) 9.108 4.442 ( 1.675 0.967 -5.235) 5.581 4.764 ( -4.066 -2.348 -4.109) 6.239 4.991 ( -3.826 -2.209 2.240) 4.953 5.429 ( -1.729 -0.998 1.384) 2.429 5.974 ( -4.775 -2.757 8.351) 10.007 9.477 ( 3.072 1.773 2.070) 4.107 10.555 ( -3.279 -1.893 -5.714) 6.855 10.962 ( 4.546 2.624 0.260) 5.255 12.972 ( -0.815 -0.471 -0.154) 0.954 14.506 ( -3.017 -1.742 6.325) 7.221 15.275 ( 6.614 3.818 -6.252) 9.870======================= Grid point 491 (83/165) =======================q-point: (-0.40 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.629 ( -2.081 -1.202 -7.053) 7.451 2.976 ( -8.980 -5.184 -9.583) 14.119 3.377 ( -10.582 -6.109 8.159) 14.692 3.715 ( 3.813 2.201 -0.742) 4.465 4.457 ( -0.464 -0.268 -3.852) 3.889 4.643 ( -6.621 -3.823 -1.631) 7.817 4.875 ( -5.639 -3.256 3.645) 7.462 5.340 ( -5.624 -3.247 1.378) 6.639 5.801 ( -9.284 -5.360 7.817) 13.268 9.618 ( 8.683 5.013 1.773) 10.181 10.508 ( 0.444 0.256 -2.467) 2.519 11.143 ( 9.716 5.610 -3.699) 11.813 12.931 ( -2.540 -1.466 -0.164) 2.938 14.443 ( -2.366 -1.366 6.418) 6.975 15.417 ( 5.335 3.080 -5.069) 7.977======================= Grid point 492 (84/165) =======================q-point: (-0.33 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.520 ( -7.637 -4.409 -0.654) 8.843 2.699 ( -14.128 -8.157 -2.425) 16.493 3.138 ( -9.215 -5.320 2.314) 10.889 3.741 ( -3.332 -1.924 -16.639) 17.078 4.424 ( -2.177 -1.257 -2.391) 3.469 4.439 ( -11.050 -6.380 6.907) 14.509 4.767 ( -3.102 -1.791 6.466) 7.392 5.187 ( -6.961 -4.019 -0.209) 8.041 5.584 ( -8.291 -4.787 4.586) 10.615 9.861 ( 11.726 6.770 1.459) 13.618 10.605 ( 8.234 4.754 -0.006) 9.508 11.378 ( 9.901 5.717 -6.793) 13.299 12.862 ( -3.164 -1.827 -0.266) 3.663 14.394 ( -1.889 -1.090 6.662) 7.010 15.515 ( 2.913 1.682 -2.847) 4.406======================= Grid point 493 (85/165) =======================q-point: (-0.27 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.274 ( -12.942 -7.472 9.340) 17.623 2.331 ( -17.333 -10.007 3.310) 20.287 2.968 ( -5.525 -3.190 -6.342) 8.996 3.527 ( -14.456 -8.346 -18.975) 25.272 4.142 ( -14.289 -8.250 7.271) 18.031 4.363 ( -2.954 -1.706 -1.037) 3.565 4.699 ( -3.829 -2.211 10.140) 11.062 5.046 ( -5.054 -2.918 -4.407) 7.313 5.474 ( 0.206 0.119 0.585) 0.631 10.142 ( 12.005 6.931 1.596) 13.954 10.895 ( 16.504 9.528 3.803) 19.433 11.586 ( 7.729 4.462 -10.594) 13.852 12.793 ( -2.670 -1.542 -0.685) 3.158 14.346 ( -2.591 -1.496 6.986) 7.600 15.554 ( 0.673 0.388 0.140) 0.789======================= Grid point 494 (86/165) =======================q-point: (-0.20 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.904 ( -18.953 -10.943 9.166) 23.727 1.951 ( -14.176 -8.185 16.639) 23.341 2.867 ( -3.336 -1.926 -11.625) 12.247 3.121 ( -19.368 -11.182 -2.863) 22.547 3.768 ( -17.733 -10.238 -0.301) 20.478 4.294 ( -2.790 -1.611 0.100) 3.223 4.590 ( -5.179 -2.990 4.671) 7.588 4.931 ( -4.570 -2.639 -10.672) 11.906 5.618 ( 11.556 6.672 2.713) 13.617 10.405 ( 10.320 5.958 2.437) 12.163 11.332 ( 18.376 10.610 9.470) 23.237 11.744 ( 7.275 4.200 -16.416) 18.440 12.742 ( -1.676 -0.968 -1.567) 2.491 14.254 ( -5.755 -3.322 6.266) 9.133 15.571 ( 1.788 1.032 4.728) 5.159======================= Grid point 495 (87/165) =======================q-point: (-0.13 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.488 ( -15.521 -8.961 17.562) 25.092 1.637 ( -12.383 -7.149 21.657) 25.951 2.661 ( -19.575 -11.302 17.093) 28.339 2.807 ( -1.818 -1.049 -14.064) 14.220 3.344 ( -17.833 -10.296 -6.908) 21.720 4.237 ( -2.042 -1.179 0.938) 2.537 4.444 ( -7.563 -4.366 0.173) 8.734 4.869 ( -0.474 -0.274 -20.528) 20.535 5.990 ( 20.313 11.728 9.331) 25.243 10.616 ( 7.734 4.465 3.752) 9.687 11.502 ( -5.068 -2.926 -1.074) 5.950 12.082 ( 20.416 11.787 -7.402) 24.710 12.712 ( -1.027 -0.593 -2.743) 2.988 14.058 ( -11.122 -6.421 2.985) 13.185 15.702 ( 10.926 6.308 10.892) 16.667======================= Grid point 496 (88/165) =======================q-point: (-0.07 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.243 ( -4.586 -2.648 26.179) 26.709 1.389 ( -8.673 -5.007 25.316) 27.225 2.244 ( -15.125 -8.732 35.390) 39.465 2.786 ( 0.034 0.020 -14.956) 14.956 2.984 ( -12.121 -6.998 -12.358) 18.671 4.200 ( -1.195 -0.690 1.475) 2.020 4.265 ( -6.828 -3.942 0.412) 7.895 4.886 ( 1.176 0.679 -28.969) 29.001 6.545 ( 25.432 14.683 12.775) 32.025 10.763 ( 4.883 2.819 4.904) 7.473 11.186 ( -19.925 -11.504 -2.779) 23.175 12.496 ( 12.931 7.466 -3.888) 15.430 12.688 ( -1.111 -0.642 -3.737) 3.951 13.781 ( -10.753 -6.208 -0.007) 12.417 16.088 ( 19.803 11.434 9.478) 24.754======================= Grid point 498 (89/165) =======================q-point: ( 0.07 0.07 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.385 ( 5.405 12.261 20.581) 24.558 1.519 ( 3.036 12.798 23.853) 27.240 2.544 ( 10.511 17.008 16.953) 26.213 2.875 ( 9.113 1.277 -11.365) 14.623 3.185 ( 4.948 18.826 -6.717) 20.592 4.195 ( -1.278 1.810 1.570) 2.716 4.448 ( 9.401 8.520 -0.742) 12.709 4.876 ( 0.547 -0.461 -23.674) 23.685 6.135 ( -11.815 -22.456 10.876) 27.607 10.716 ( 0.655 -8.360 3.580) 9.118 11.379 ( -1.378 10.652 -3.227) 11.215 12.331 ( 1.905 -20.585 -6.502) 21.672 12.692 ( -1.385 2.527 -4.542) 5.379 14.004 ( 9.375 13.228 1.159) 16.255 15.686 ( -18.645 -15.662 15.134) 28.670======================= Grid point 499 (90/165) =======================q-point: ( 0.13 0.07 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.637 ( 6.186 16.165 14.856) 22.809 1.777 ( 10.423 14.019 16.985) 24.365 2.856 ( 9.485 10.027 -8.428) 16.172 3.094 ( 10.772 5.107 -7.801) 14.247 3.565 ( 15.172 20.936 6.769) 26.727 4.198 ( -0.387 1.583 1.580) 2.270 4.723 ( 12.015 7.601 0.389) 14.222 4.911 ( 2.775 1.829 -16.337) 16.672 5.763 ( -9.763 -13.362 4.625) 17.183 10.588 ( -5.101 -9.637 1.746) 11.043 11.314 ( -9.139 -3.066 2.317) 9.915 12.150 ( 1.433 -21.701 -12.526) 25.097 12.694 ( -2.045 4.332 -4.378) 6.490 14.315 ( 11.881 8.884 1.754) 14.939 15.252 ( -18.019 -3.854 16.128) 24.488======================= Grid point 500 (91/165) =======================q-point: ( 0.20 0.07 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.917 ( 6.319 17.386 10.413) 21.229 2.114 ( 11.560 12.500 8.151) 18.876 3.107 ( 10.080 6.891 -14.500) 18.957 3.330 ( 8.840 7.834 -8.279) 14.425 4.077 ( 19.165 17.562 10.725) 28.120 4.214 ( 0.591 1.698 1.644) 2.436 4.989 ( 6.456 4.859 -6.661) 10.472 5.013 ( 8.805 4.217 -1.249) 9.843 5.524 ( -5.092 -7.648 0.854) 9.228 10.351 ( -10.155 -10.111 0.547) 14.341 11.064 ( -11.034 -8.484 3.325) 14.310 11.930 ( -3.466 -18.531 -14.011) 23.489 12.722 ( 0.018 5.311 -1.951) 5.657 14.568 ( 9.297 4.116 -0.449) 10.177 14.988 ( -11.695 1.829 14.616) 18.808======================= Grid point 501 (92/165) =======================q-point: ( 0.27 0.07 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.194 ( 4.904 17.363 5.844) 18.965 2.410 ( 9.474 9.867 0.444) 13.687 3.350 ( 10.338 5.277 -10.216) 15.463 3.558 ( 7.095 9.032 -5.274) 12.639 4.240 ( 1.388 1.293 -0.281) 1.917 4.554 ( 16.421 12.644 9.167) 22.662 5.064 ( 0.316 -0.134 -3.174) 3.193 5.187 ( 3.320 3.150 -5.360) 7.048 5.497 ( 8.405 -0.046 5.894) 10.266 10.050 ( -12.249 -9.639 0.456) 15.593 10.805 ( -8.325 -7.907 0.682) 11.502 11.659 ( -8.102 -14.746 -10.444) 19.803 12.800 ( 2.190 5.690 -0.431) 6.112 14.720 ( 4.112 1.743 -7.349) 8.600 14.862 ( -4.595 2.139 16.283) 17.054======================= Grid point 502 (93/165) =======================q-point: ( 0.33 0.07 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.425 ( 2.396 15.235 1.550) 15.500 2.658 ( 8.112 9.612 -5.121) 13.580 3.551 ( 7.654 2.108 -2.789) 8.414 3.741 ( 3.145 8.471 -0.236) 9.039 4.288 ( 2.248 2.181 -2.932) 4.290 4.877 ( 8.995 5.279 4.545) 11.377 5.005 ( -3.696 -1.300 -1.210) 4.101 5.270 ( 3.873 2.558 -5.398) 7.119 5.718 ( 12.419 2.007 8.572) 15.223 9.754 ( -10.802 -7.891 1.057) 13.419 10.634 ( -3.678 -4.787 -2.201) 6.425 11.361 ( -10.233 -11.998 -5.315) 16.641 12.900 ( 2.236 5.846 -0.036) 6.259 14.712 ( -4.455 0.860 0.276) 4.546 14.903 ( 5.424 1.015 3.911) 6.764======================= Grid point 503 (94/165) =======================q-point: ( 0.40 0.07 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.584 ( 0.491 11.520 -2.423) 11.782 2.892 ( 6.527 11.031 -8.967) 15.642 3.643 ( 2.697 -1.897 4.065) 5.234 3.817 ( -3.030 5.753 4.653) 7.996 4.364 ( 2.739 3.723 -5.411) 7.116 4.891 ( -3.536 -1.703 -3.794) 5.459 5.030 ( 1.885 0.851 2.879) 3.545 5.369 ( 4.279 1.766 -0.975) 4.730 5.911 ( 8.176 -0.859 8.058) 11.512 9.537 ( -6.221 -4.816 1.716) 8.052 10.577 ( 0.512 -1.853 -4.873) 5.239 11.080 ( -8.951 -9.093 -0.354) 12.764 12.983 ( 0.457 5.514 -0.106) 5.534 14.633 ( -4.483 -0.519 4.409) 6.309 15.026 ( 7.110 1.197 -3.478) 8.005======================= Grid point 504 (95/165) =======================q-point: ( 0.47 0.07 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.677 ( -1.274 8.395 -5.389) 10.057 3.081 ( 2.136 8.740 -12.997) 15.807 3.632 ( 0.061 -2.193 8.784) 9.053 3.752 ( -8.665 2.266 7.487) 11.673 4.443 ( 1.327 4.111 -5.497) 6.991 4.813 ( -3.671 -1.482 -4.376) 5.901 5.021 ( -1.897 -1.712 2.085) 3.298 5.426 ( 1.051 -0.655 1.087) 1.648 5.967 ( 1.246 -4.836 7.718) 9.192 9.454 ( 0.228 -0.829 2.018) 2.194 10.569 ( -0.781 -2.489 -6.382) 6.894 10.921 ( -0.156 -2.859 2.222) 3.624 13.020 ( -2.128 4.495 -0.246) 4.979 14.550 ( -3.848 -1.092 5.467) 6.774 15.171 ( 7.957 1.096 -5.835) 9.928======================= Grid point 506 (96/165) =======================q-point: (-0.47 0.07 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.706 ( -3.837 5.792 -6.643) 9.612 3.081 ( -7.155 -0.659 -10.370) 12.616 3.558 ( -12.664 0.616 7.069) 14.516 3.682 ( 3.254 3.217 4.837) 6.658 4.476 ( -1.441 1.670 -4.517) 5.027 4.724 ( -5.024 -1.336 -3.537) 6.287 4.941 ( -4.653 -2.226 2.834) 5.885 5.387 ( -3.245 -2.967 1.639) 4.693 5.864 ( -5.148 -7.728 7.626) 12.016 9.527 ( 6.546 3.103 1.837) 7.474 10.506 ( -1.416 -2.508 -3.280) 4.365 11.015 ( 9.082 2.307 -1.261) 9.454 13.000 ( -4.359 2.954 -0.316) 5.275 14.481 ( -3.053 -0.558 5.674) 6.468 15.316 ( 7.700 -0.033 -5.486) 9.455======================= Grid point 507 (97/165) =======================q-point: (-0.40 0.07 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.649 ( -8.009 2.717 -4.252) 9.466 2.862 ( -12.820 -5.896 -3.345) 14.502 3.317 ( -13.867 -0.294 4.725) 14.653 3.772 ( 0.247 3.267 -9.505) 10.054 4.413 ( -3.584 -5.076 -2.274) 6.617 4.610 ( -8.365 0.967 1.621) 8.576 4.839 ( -4.884 0.715 4.356) 6.583 5.264 ( -6.354 -4.050 1.141) 7.621 5.663 ( -7.670 -7.939 5.907) 12.520 9.729 ( 10.829 5.791 1.334) 12.352 10.522 ( 4.764 1.349 -0.942) 5.040 11.229 ( 11.498 2.840 -4.509) 12.673 12.935 ( -5.328 1.440 -0.425) 5.536 14.433 ( -2.552 0.717 5.827) 6.401 15.428 ( 6.220 -2.241 -3.636) 7.545======================= Grid point 508 (98/165) =======================q-point: (-0.33 0.07 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.464 ( -13.924 -1.580 4.095) 14.600 2.540 ( -16.177 -7.176 1.517) 17.762 3.102 ( -10.702 1.183 -2.701) 11.101 3.680 ( -10.711 -4.465 -20.276) 23.362 4.278 ( -6.010 -5.613 4.924) 9.585 4.437 ( -10.273 -0.921 3.064) 10.759 4.800 ( -4.683 5.244 8.150) 10.763 5.110 ( -5.937 -3.331 -1.827) 7.048 5.485 ( -3.811 -4.762 1.478) 6.275 9.999 ( 12.378 6.609 0.937) 14.063 10.714 ( 13.017 5.854 1.945) 14.405 11.451 ( 10.794 1.823 -7.823) 13.455 12.854 ( -4.833 0.499 -0.856) 4.934 14.401 ( -3.035 1.980 6.271) 7.242 15.482 ( 4.219 -5.097 -0.965) 6.686======================= Grid point 509 (99/165) =======================q-point: (-0.27 0.07 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.146 ( -18.284 -6.676 7.327) 20.798 2.163 ( -18.057 -5.302 11.448) 22.028 2.964 ( -7.524 2.196 -9.984) 12.693 3.356 ( -17.396 -7.494 -12.854) 22.892 4.018 ( -18.367 -3.817 4.327) 19.252 4.304 ( -2.495 -3.738 1.256) 4.667 4.730 ( -8.715 4.755 7.235) 12.284 4.995 ( -5.107 -1.958 -6.917) 8.818 5.492 ( 7.153 1.451 0.086) 7.299 10.277 ( 11.699 6.097 1.229) 13.250 11.079 ( 19.716 7.657 6.746) 22.201 11.639 ( 8.945 2.093 -12.741) 15.707 12.783 ( -3.446 0.114 -1.857) 3.916 14.353 ( -5.490 2.447 6.507) 8.858 15.481 ( 3.712 -7.750 2.842) 9.051======================= Grid point 510 (100/165) =======================q-point: (-0.20 0.07 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.729 ( -19.874 -6.282 11.695) 23.900 1.817 ( -15.922 -5.105 19.162) 25.431 2.850 ( -9.116 -1.462 -10.384) 13.895 2.990 ( -16.889 0.789 -0.209) 16.909 3.607 ( -21.914 -5.669 -0.203) 22.636 4.240 ( -1.330 -2.940 1.014) 3.382 4.610 ( -10.360 4.073 1.747) 11.268 4.899 ( -3.482 -0.438 -14.794) 15.205 5.735 ( 16.556 4.214 4.692) 17.717 10.521 ( 9.590 5.290 2.309) 11.193 11.424 ( 10.779 -2.371 6.277) 12.697 11.887 ( 15.342 11.443 -13.523) 23.435 12.735 ( -2.116 -0.437 -3.328) 3.968 14.236 ( -10.955 1.635 4.738) 12.047 15.496 ( 9.208 -8.686 9.173) 15.633======================= Grid point 515 (101/165) =======================q-point: ( 0.13 0.13 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.022 ( 5.120 20.658 8.634) 22.967 2.091 ( 7.753 16.664 12.590) 22.278 3.024 ( 7.620 6.649 -13.580) 16.932 3.278 ( 7.829 13.033 -9.051) 17.694 3.989 ( 12.567 19.579 6.795) 24.238 4.239 ( -0.968 2.879 2.136) 3.713 4.859 ( 11.895 5.869 4.401) 13.975 4.975 ( 2.520 4.258 -9.520) 10.729 5.520 ( -4.595 -9.954 0.174) 10.965 10.367 ( -4.430 -12.094 0.438) 12.887 11.145 ( -9.748 -13.829 6.608) 18.164 11.746 ( 1.138 -16.268 -13.032) 20.875 12.773 ( 0.390 3.866 -3.292) 5.093 14.441 ( 8.912 3.633 4.466) 10.610 15.255 ( -14.285 2.736 7.802) 16.505======================= Grid point 516 (102/165) =======================q-point: ( 0.20 0.13 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.325 ( 4.756 21.896 7.873) 23.749 2.379 ( 7.250 13.472 3.892) 15.786 3.236 ( 8.949 6.047 -11.272) 15.612 3.539 ( 7.334 12.710 -10.392) 17.981 4.230 ( 1.337 1.157 0.227) 1.782 4.433 ( 13.153 15.457 9.384) 22.361 5.049 ( 1.705 1.734 -4.347) 4.981 5.123 ( 10.401 5.745 4.303) 12.638 5.390 ( -0.368 -4.826 -1.457) 5.055 10.128 ( -8.646 -11.795 -0.321) 14.629 10.852 ( -8.089 -12.064 3.270) 14.888 11.582 ( -2.010 -15.282 -9.505) 18.108 12.835 ( 1.213 5.989 -1.766) 6.361 14.609 ( 8.034 0.294 1.066) 8.110 15.060 ( -12.114 4.222 7.488) 14.854======================= Grid point 517 (103/165) =======================q-point: ( 0.27 0.13 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.575 ( 1.412 15.412 7.003) 16.987 2.654 ( 6.849 18.078 -3.493) 19.645 3.438 ( 7.945 3.529 -5.373) 10.220 3.780 ( 4.909 12.807 -6.552) 15.200 4.268 ( 2.230 1.325 -1.077) 2.808 4.769 ( 10.487 8.039 5.948) 14.491 5.047 ( -2.027 -0.921 -0.360) 2.256 5.257 ( 0.908 3.934 -4.774) 6.252 5.494 ( 13.254 -0.517 6.637) 14.832 9.848 ( -10.009 -10.278 0.217) 14.348 10.640 ( -4.281 -7.961 0.180) 9.041 11.366 ( -5.687 -13.866 -5.265) 15.885 12.934 ( 2.032 7.575 -0.581) 7.864 14.727 ( 5.379 -0.931 -5.290) 7.602 14.919 ( -7.623 2.903 9.527) 12.542======================= Grid point 518 (104/165) =======================q-point: ( 0.33 0.13 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.719 ( -0.317 11.955 2.184) 12.157 2.951 ( 4.461 20.277 -5.179) 21.398 3.562 ( 4.423 -0.944 1.143) 4.665 3.939 ( -1.161 10.735 -0.535) 10.811 4.346 ( 3.997 3.582 -4.363) 6.917 4.913 ( 0.491 -0.831 -1.156) 1.506 5.017 ( 0.141 1.577 2.503) 2.962 5.321 ( 2.899 2.471 -2.423) 4.514 5.713 ( 12.046 -2.458 7.088) 14.191 9.597 ( -7.655 -7.579 1.113) 10.829 10.544 ( -0.095 -3.859 -1.931) 4.316 11.117 ( -7.366 -11.802 -0.979) 13.946 13.044 ( 0.997 8.262 -0.258) 8.326 14.723 ( -4.982 0.016 -1.574) 5.224 14.913 ( 5.083 -0.021 2.294) 5.577======================= Grid point 519 (105/165) =======================q-point: ( 0.40 0.13 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.811 ( -1.966 10.383 -0.738) 10.593 3.195 ( -0.022 17.968 -8.541) 19.895 3.586 ( 2.128 -3.124 6.625) 7.627 3.946 ( -7.923 6.862 3.659) 11.102 4.464 ( 2.961 6.178 -5.476) 8.770 4.858 ( -3.214 -1.965 -4.292) 5.711 5.028 ( -0.552 -0.700 2.277) 2.445 5.388 ( 2.517 0.052 0.576) 2.583 5.837 ( 6.801 -6.315 6.330) 11.234 9.449 ( -2.278 -3.847 1.692) 4.780 10.538 ( 1.473 -1.966 -3.761) 4.492 10.906 ( -3.915 -7.748 2.583) 9.057 13.121 ( -1.794 7.764 -0.411) 7.979 14.623 ( -5.416 -0.373 2.834) 6.124 15.029 ( 8.020 -0.888 -3.987) 9.000======================= Grid point 520 (106/165) =======================q-point: (-0.53 0.13 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.856 ( -4.107 8.743 -3.384) 10.236 3.235 ( -8.652 4.346 -5.951) 11.364 3.654 ( 4.685 5.203 5.047) 8.631 3.815 ( -12.984 4.648 4.129) 14.396 4.539 ( -1.839 4.603 -4.669) 6.809 4.780 ( -2.926 -1.796 -4.798) 5.899 4.988 ( -2.682 -1.046 2.499) 3.812 5.394 ( -0.671 -2.184 1.804) 2.911 5.820 ( 0.402 -9.316 6.018) 11.098 9.449 ( 4.330 0.188 1.728) 4.666 10.505 ( -1.833 -3.336 -2.854) 4.758 10.885 ( 6.388 -0.950 1.847) 6.717 13.131 ( -5.024 5.942 -0.578) 7.803 14.539 ( -3.932 0.229 3.703) 5.406 15.160 ( 8.451 -2.192 -4.972) 10.047======================= Grid point 521 (107/165) =======================q-point: (-0.47 0.13 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.834 ( -7.315 5.885 -5.297) 10.779 3.045 ( -13.058 -1.984 0.529) 13.218 3.578 ( -14.214 0.205 5.745) 15.332 3.815 ( 1.033 9.645 -6.331) 11.584 4.458 ( -6.835 -4.385 -4.346) 9.210 4.736 ( -3.735 2.678 -0.764) 4.659 4.929 ( -3.619 1.722 3.035) 5.027 5.323 ( -4.369 -2.848 2.126) 5.632 5.681 ( -4.437 -9.962 5.275) 12.114 9.594 ( 9.850 3.241 1.221) 10.441 10.468 ( 1.530 -0.970 -0.912) 2.028 11.051 ( 11.006 1.354 -1.249) 11.159 13.070 ( -7.043 3.361 -0.651) 7.831 14.493 ( -2.700 2.065 3.734) 5.049 15.269 ( 7.605 -4.612 -3.601) 9.596======================= Grid point 522 (108/165) =======================q-point: (-0.40 0.13 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.699 ( -12.110 -0.071 -4.802) 13.028 2.766 ( -16.281 -1.833 6.857) 17.761 3.336 ( -13.366 1.431 0.163) 13.443 3.827 ( -8.299 1.476 -16.766) 18.765 4.293 ( -3.882 -5.089 1.388) 6.549 4.641 ( -10.417 1.614 4.042) 11.289 4.928 ( -1.899 7.461 4.450) 8.893 5.194 ( -7.105 -2.193 1.540) 7.594 5.499 ( -4.810 -7.918 1.906) 9.459 9.836 ( 12.781 4.261 0.370) 13.478 10.565 ( 8.764 2.698 0.852) 9.209 11.268 ( 11.705 1.501 -4.375) 12.585 12.966 ( -7.006 1.116 -0.964) 7.159 14.481 ( -2.508 4.156 3.996) 6.288 15.325 ( 5.816 -7.863 -1.074) 9.839======================= Grid point 523 (109/165) =======================q-point: (-0.33 0.13 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.415 ( -17.483 -3.793 -0.343) 17.893 2.437 ( -18.433 -3.211 12.206) 22.340 3.156 ( -10.349 3.511 -7.957) 13.518 3.580 ( -15.486 -4.264 -16.558) 23.068 4.222 ( -3.622 -0.382 1.819) 4.071 4.410 ( -15.398 -0.917 7.027) 16.951 4.953 ( -7.420 8.951 7.896) 14.055 5.061 ( -4.838 -1.390 -3.324) 6.033 5.405 ( 1.910 -2.808 -2.043) 3.963 10.107 ( 13.444 3.562 -0.137) 13.909 10.822 ( 16.038 4.046 3.991) 17.015 11.485 ( 11.080 2.785 -8.615) 14.309 12.860 ( -5.418 -0.329 -1.863) 5.739 14.478 ( -3.870 5.585 4.687) 8.254 15.313 ( 4.032 -11.293 2.334) 12.216======================= Grid point 531 (110/165) =======================q-point: ( 0.20 0.20 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.646 ( 3.951 12.693 -0.733) 13.314 2.752 ( 7.778 19.228 7.829) 22.171 3.365 ( 6.514 7.278 -4.998) 10.972 3.821 ( 6.278 14.147 -14.389) 21.133 4.247 ( 0.739 0.905 1.280) 1.733 4.685 ( 8.895 9.154 5.630) 13.950 5.048 ( 1.323 -1.786 0.835) 2.375 5.234 ( 10.541 4.844 6.377) 13.238 5.366 ( -2.643 3.054 -3.162) 5.129 9.883 ( -6.804 -12.311 -0.250) 14.068 10.617 ( -3.481 -10.171 1.562) 10.863 11.309 ( -3.797 -12.209 -4.568) 13.578 12.968 ( 2.975 7.141 -1.094) 7.813 14.595 ( 7.013 -1.322 0.796) 7.181 15.127 ( -11.566 2.050 2.854) 12.088======================= Grid point 532 (111/165) =======================q-point: ( 0.27 0.20 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.814 ( 1.891 10.777 -0.110) 10.942 3.082 ( 7.180 19.866 4.938) 21.693 3.504 ( 2.451 3.898 -1.391) 4.810 4.059 ( 3.106 14.349 -9.261) 17.358 4.291 ( 4.010 0.945 -1.298) 4.320 4.865 ( 4.659 1.793 1.912) 5.346 5.039 ( -0.576 -0.107 1.589) 1.694 5.347 ( -2.155 4.738 -1.699) 5.475 5.470 ( 12.099 -1.874 5.535) 13.436 9.642 ( -7.276 -9.963 0.509) 12.348 10.504 ( -0.600 -4.995 0.217) 5.036 11.105 ( -5.399 -11.997 -0.790) 13.179 13.100 ( 2.707 8.675 -0.556) 9.105 14.694 ( 5.905 -1.977 -3.856) 7.324 14.961 ( -8.661 1.037 4.136) 9.654======================= Grid point 533 (112/165) =======================q-point: ( 0.33 0.20 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.933 ( -0.210 10.029 0.246) 10.034 3.392 ( 4.948 19.818 3.108) 20.662 3.523 ( -1.628 -1.313 1.605) 2.637 4.159 ( -6.159 10.735 -1.507) 12.468 4.434 ( 7.902 5.109 -6.292) 11.320 4.880 ( -1.731 -2.490 -2.414) 3.877 5.035 ( -0.436 0.384 2.143) 2.220 5.363 ( 0.304 1.543 0.032) 1.573 5.623 ( 9.580 -6.244 4.870) 12.429 9.453 ( -4.129 -6.525 1.180) 7.811 10.489 ( 1.951 -1.349 -0.393) 2.405 10.895 ( -5.103 -10.094 2.364) 11.555 13.220 ( 0.441 8.712 -0.604) 8.744 14.713 ( -3.420 -0.693 -2.487) 4.285 14.901 ( 3.262 -1.305 0.540) 3.555======================= Grid point 534 (113/165) =======================q-point: ( 0.40 0.20 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.005 ( -2.668 8.968 -0.761) 9.387 3.426 ( -7.374 -1.013 2.392) 7.818 3.646 ( 4.164 12.981 4.090) 14.233 4.094 ( -11.267 8.283 -0.814) 14.008 4.607 ( 2.638 7.643 -5.018) 9.516 4.789 ( -2.898 -5.342 -5.526) 8.214 5.021 ( -1.565 0.328 2.307) 2.807 5.376 ( 0.519 -0.861 1.769) 2.035 5.672 ( 5.106 -9.545 4.060) 11.561 9.383 ( 1.615 -2.667 1.418) 3.426 10.503 ( -0.581 -1.318 -0.763) 1.630 10.778 ( 2.364 -4.826 3.850) 6.611 13.275 ( -3.479 6.904 -0.856) 7.779 14.625 ( -5.169 0.841 0.957) 5.324 14.988 ( 7.772 -3.208 -3.579) 9.138======================= Grid point 536 (114/165) =======================q-point: (-0.53 0.20 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.005 ( -6.079 4.983 -3.609) 8.649 3.260 ( -10.758 0.574 5.264) 11.991 3.735 ( -4.703 0.248 7.220) 8.620 4.005 ( -8.378 13.758 -7.166) 17.630 4.549 ( -8.674 -5.240 -6.067) 11.811 4.786 ( 1.593 3.402 -2.083) 4.296 4.996 ( -2.051 1.840 2.329) 3.608 5.359 ( -1.717 -0.428 2.647) 3.184 5.615 ( 0.142 -10.302 3.485) 10.877 9.456 ( 7.764 0.344 1.196) 7.863 10.454 ( -1.371 -1.403 0.247) 1.977 10.876 ( 9.769 -0.007 1.884) 9.949 13.234 ( -7.170 3.730 -0.846) 8.126 14.571 ( -3.226 3.084 1.062) 4.587 15.083 ( 7.635 -5.410 -3.016) 9.832======================= Grid point 537 (115/165) =======================q-point: (-0.47 0.20 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.877 ( -10.057 -1.900 -4.224) 11.072 3.063 ( -15.389 3.582 7.367) 17.433 3.550 ( -10.909 -2.887 2.578) 11.575 4.017 ( -8.094 8.511 -13.137) 17.622 4.329 ( -6.725 -6.634 -1.307) 9.536 4.800 ( -4.608 3.254 1.880) 5.946 5.004 ( -0.323 4.099 2.151) 4.640 5.311 ( -5.263 3.076 3.603) 7.082 5.485 ( -3.215 -8.858 1.575) 9.554 9.643 ( 12.102 1.287 0.535) 12.182 10.471 ( 3.966 1.116 0.549) 4.157 11.077 ( 11.851 1.347 -0.780) 11.953 13.114 ( -8.601 0.770 -0.775) 8.670 14.570 ( -2.077 5.398 0.636) 5.818 15.136 ( 6.152 -8.246 -0.550) 10.303======================= Grid point 548 (116/165) =======================q-point: ( 0.27 0.27 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.019 ( 1.994 9.238 -1.434) 9.558 3.330 ( 9.004 4.105 6.732) 11.969 3.664 ( -1.323 11.679 5.061) 12.797 4.273 ( 14.139 2.152 -9.266) 17.041 4.376 ( -4.874 12.148 -4.591) 13.871 4.859 ( 1.534 -2.472 -0.522) 2.956 5.035 ( 1.168 -0.161 1.855) 2.198 5.418 ( 4.909 -1.658 2.482) 5.745 5.438 ( -3.790 2.621 2.078) 5.055 9.458 ( -4.623 -7.816 0.904) 9.126 10.452 ( 1.158 -0.125 1.216) 1.684 10.882 ( -5.165 -10.055 2.186) 11.513 13.268 ( 3.703 7.386 -0.816) 8.302 14.661 ( 5.596 -0.984 -2.361) 6.152 14.956 ( -8.299 -1.529 0.108) 8.439======================= Grid point 549 (117/165) =======================q-point: ( 0.33 0.27 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.128 ( -0.510 9.171 0.492) 9.199 3.412 ( 1.880 -5.344 4.046) 6.962 3.783 ( -0.443 13.142 9.257) 16.081 4.363 ( -7.968 9.632 -4.121) 13.162 4.547 ( 10.779 5.424 -8.196) 14.587 4.803 ( -3.625 -5.042 -4.282) 7.543 5.044 ( -0.338 0.571 2.000) 2.107 5.382 ( -2.254 0.429 1.533) 2.760 5.482 ( 5.722 -6.807 2.874) 9.346 9.344 ( -1.172 -4.017 1.078) 4.321 10.497 ( 1.803 2.229 1.932) 3.457 10.713 ( -2.567 -7.916 3.942) 9.208 13.372 ( 0.138 5.784 -1.131) 5.895 14.713 ( -1.511 1.084 -2.168) 2.856 14.855 ( 1.421 -3.266 -1.201) 3.759======================= Grid point 550 (118/165) =======================q-point: (-0.60 0.27 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.153 ( -5.708 4.214 -0.548) 7.116 3.364 ( -1.102 -1.701 4.949) 5.348 3.835 ( -4.993 3.004 10.756) 12.233 4.304 ( -9.823 11.879 -6.790) 16.844 4.626 ( -6.949 -9.495 -7.433) 13.917 4.757 ( 5.626 5.231 -3.996) 8.659 5.038 ( -1.063 1.012 2.039) 2.512 5.377 ( 0.365 1.863 2.609) 3.227 5.485 ( 3.169 -7.931 2.048) 8.783 9.345 ( 4.126 -1.025 1.076) 4.385 10.490 ( -3.522 0.018 2.140) 4.121 10.712 ( 7.857 -1.648 3.750) 8.861 13.375 ( -4.746 2.585 -1.182) 5.531 14.668 ( -4.023 3.368 -1.078) 5.356 14.904 ( 6.556 -4.727 -2.266) 8.394======================= Grid point 564 (119/165) =======================q-point: ( 0.33 0.33 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 270Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.290 ( -2.912 -5.824 2.176) 6.865 3.290 ( 2.912 5.824 2.176) 6.865 3.911 ( -0.000 -0.000 13.763) 13.763 4.547 ( -3.553 -7.105 -5.615) 9.728 4.547 ( 3.553 7.105 -5.615) 9.728 4.737 ( -0.000 -0.000 -8.917) 8.917 5.052 ( -0.000 -0.000 1.912) 1.912 5.393 ( -0.736 -1.472 2.184) 2.734 5.393 ( 0.736 1.472 2.184) 2.734 9.302 ( -0.000 -0.000 0.984) 0.984 10.577 ( -2.490 -4.979 3.697) 6.683 10.577 ( 2.490 4.979 3.697) 6.683 13.433 ( -0.000 -0.000 -1.410) 1.410 14.771 ( -2.182 -4.364 -1.882) 5.229 14.771 ( 2.182 4.364 -1.882) 5.229======================= Grid point 723 (120/165) =======================q-point: ( 0.00 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.745 ( 0.000 -0.000 17.606) 17.606 1.745 ( 0.000 -0.000 17.606) 17.606 2.485 ( 0.000 0.000 -13.605) 13.605 2.485 ( 0.000 -0.000 -13.605) 13.605 2.894 ( 0.000 -0.000 30.934) 30.934 4.207 ( 0.000 -0.000 0.673) 0.673 4.207 ( 0.000 0.000 0.673) 0.673 4.236 ( 0.000 0.000 -26.558) 26.558 7.045 ( 0.000 0.000 2.913) 2.913 10.930 ( 0.000 0.000 2.529) 2.529 10.930 ( 0.000 0.000 2.529) 2.529 12.588 ( 0.000 0.000 -1.994) 1.994 12.588 ( 0.000 -0.000 -1.994) 1.994 13.638 ( -0.000 0.000 -0.171) 0.171 16.407 ( 0.000 0.000 0.637) 0.637======================= Grid point 724 (121/165) =======================q-point: ( 0.07 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.745 ( 2.118 1.223 19.039) 19.195 1.858 ( 7.251 4.186 17.987) 19.840 2.416 ( -2.354 -1.359 -11.004) 11.335 2.569 ( 5.175 2.988 -15.030) 16.174 3.098 ( 15.482 8.938 24.143) 30.041 4.207 ( 0.228 0.131 1.129) 1.159 4.278 ( 3.749 2.164 -22.438) 22.852 4.304 ( 7.838 4.525 -2.053) 9.280 6.718 ( -23.706 -13.687 3.746) 27.628 10.897 ( -3.707 -2.140 0.664) 4.332 11.125 ( 13.085 7.555 2.457) 15.308 12.502 ( -7.942 -4.586 -4.474) 10.204 12.579 ( 0.068 0.039 -0.347) 0.355 13.778 ( 11.442 6.606 -0.166) 13.213 16.183 ( -17.376 -10.032 3.209) 20.318======================= Grid point 725 (122/165) =======================q-point: ( 0.13 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.836 ( 5.420 3.129 17.858) 18.923 2.063 ( 9.516 5.494 23.961) 26.360 2.423 ( 3.670 2.119 -18.368) 18.850 2.725 ( 8.217 4.744 -15.057) 17.797 3.539 ( 21.256 12.272 17.511) 30.151 4.217 ( 0.668 0.386 1.659) 1.829 4.408 ( 7.343 4.240 -18.502) 20.353 4.550 ( 12.642 7.299 -2.182) 14.760 6.144 ( -22.941 -13.245 2.579) 26.615 10.758 ( -8.220 -4.746 -0.917) 9.536 11.346 ( 3.826 2.209 3.982) 5.948 12.231 ( -14.555 -8.403 -10.472) 19.802 12.596 ( 1.444 0.833 1.056) 1.973 14.107 ( 14.925 8.617 -0.662) 17.247 15.732 ( -18.553 -10.711 8.629) 23.096======================= Grid point 726 (123/165) =======================q-point: ( 0.20 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.983 ( 6.881 3.973 14.549) 16.577 2.252 ( 6.402 3.696 18.897) 20.291 2.623 ( 13.440 7.760 -16.144) 22.393 2.948 ( 10.759 6.212 -13.854) 18.608 4.043 ( 21.259 12.274 11.805) 27.239 4.237 ( 0.999 0.577 2.282) 2.557 4.611 ( 9.773 5.643 -13.188) 17.358 4.855 ( 12.437 7.180 -2.946) 14.660 5.708 ( -13.938 -8.047 0.132) 16.095 10.522 ( -11.778 -6.800 -1.524) 13.685 11.274 ( -9.709 -5.606 5.542) 12.506 11.890 ( -13.265 -7.659 -15.181) 21.566 12.647 ( 2.977 1.719 1.624) 3.802 14.401 ( 9.487 5.477 -2.388) 11.212 15.393 ( -10.240 -5.912 13.182) 17.708======================= Grid point 727 (124/165) =======================q-point: ( 0.27 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.144 ( 6.688 3.861 10.207) 12.799 2.386 ( 5.619 3.244 8.019) 10.316 2.995 ( 17.238 9.953 -6.157) 20.836 3.217 ( 12.128 7.002 -11.723) 18.264 4.261 ( 0.955 0.552 2.861) 3.066 4.497 ( 17.072 9.857 5.281) 20.408 4.849 ( 10.426 6.019 -7.368) 14.114 5.041 ( 1.269 0.733 -5.033) 5.242 5.556 ( 2.577 1.488 0.504) 3.018 10.224 ( -13.408 -7.741 -1.204) 15.529 10.968 ( -14.285 -8.247 0.620) 16.507 11.625 ( -10.203 -5.891 -11.381) 16.380 12.730 ( 4.019 2.321 1.439) 4.859 14.548 ( 3.762 2.172 -4.134) 5.997 15.233 ( -4.444 -2.566 14.894) 15.753======================= Grid point 728 (125/165) =======================q-point: ( 0.33 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.287 ( 5.518 3.186 5.792) 8.611 2.523 ( 6.104 3.524 3.540) 7.888 3.379 ( 14.966 8.640 -1.012) 17.310 3.497 ( 11.582 6.687 -8.862) 16.043 4.278 ( 0.393 0.227 3.037) 3.071 4.810 ( 8.884 5.129 -2.591) 10.581 4.969 ( -4.078 -2.355 -4.863) 6.769 5.091 ( 10.229 5.906 -1.237) 11.876 5.752 ( 11.050 6.380 1.612) 12.861 9.918 ( -12.517 -7.227 -0.458) 14.461 10.680 ( -9.757 -5.633 -2.765) 11.601 11.392 ( -9.913 -5.723 -7.129) 13.485 12.827 ( 4.112 2.374 0.933) 4.839 14.607 ( 1.762 1.017 -4.415) 4.861 15.150 ( -3.107 -1.794 13.149) 13.629======================= Grid point 729 (126/165) =======================q-point: ( 0.40 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.397 ( 3.917 2.262 1.819) 4.875 2.664 ( 5.785 3.340 0.586) 6.705 3.663 ( 9.010 5.202 1.910) 10.577 3.735 ( 8.326 4.807 -4.750) 10.723 4.279 ( -0.141 -0.081 1.894) 1.901 4.822 ( -3.649 -2.107 -6.500) 7.746 5.007 ( 3.932 2.270 -1.993) 4.959 5.307 ( 7.841 4.527 1.413) 9.164 5.989 ( 8.525 4.922 2.051) 10.055 9.662 ( -8.996 -5.194 0.266) 10.391 10.523 ( -3.974 -2.294 -3.484) 5.762 11.171 ( -8.726 -5.038 -3.849) 10.786 12.913 ( 3.108 1.794 0.443) 3.616 14.642 ( 1.299 0.750 -2.999) 3.353 15.085 ( -2.249 -1.298 8.428) 8.819======================= Grid point 730 (127/165) =======================q-point: ( 0.47 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.468 ( 2.139 1.235 -1.517) 2.899 2.779 ( 3.760 2.171 -3.378) 5.501 3.795 ( 2.607 1.505 3.769) 4.824 3.853 ( 1.158 0.669 1.834) 2.270 4.286 ( 1.091 0.630 -1.964) 2.333 4.752 ( -2.297 -1.326 -4.041) 4.834 5.058 ( 0.495 0.286 -0.465) 0.737 5.438 ( 3.172 1.831 1.172) 3.845 6.124 ( 2.736 1.580 2.712) 4.164 9.515 ( -3.358 -1.939 0.766) 3.953 10.475 ( -0.741 -0.428 -3.434) 3.539 11.009 ( -4.599 -2.655 -0.447) 5.329 12.965 ( 1.229 0.710 0.081) 1.422 14.655 ( -0.504 -0.291 0.796) 0.986 15.067 ( 1.192 0.688 0.792) 1.588======================= Grid point 731 (128/165) =======================q-point: (-0.47 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.496 ( 0.306 0.177 -4.148) 4.163 2.823 ( -0.228 -0.131 -7.523) 7.527 3.785 ( -6.583 -3.801 7.260) 10.512 3.801 ( -1.865 -1.077 3.657) 4.244 4.328 ( 2.022 1.167 -4.902) 5.429 4.708 ( -1.499 -0.865 -0.424) 1.782 5.033 ( -2.560 -1.478 1.713) 3.416 5.450 ( -2.168 -1.252 0.244) 2.515 6.110 ( -3.918 -2.262 3.954) 6.009 9.512 ( 3.087 1.782 1.033) 3.712 10.463 ( -0.380 -0.219 -2.273) 2.315 10.985 ( 2.698 1.558 1.500) 3.458 12.968 ( -0.954 -0.551 -0.192) 1.118 14.619 ( -2.299 -1.327 3.897) 4.715 15.142 ( 4.837 2.793 -5.640) 7.938======================= Grid point 732 (129/165) =======================q-point: (-0.40 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.482 ( -1.507 -0.870 -5.990) 6.238 2.765 ( -4.604 -2.658 -8.536) 10.056 3.573 ( -11.148 -6.436 9.449) 15.968 3.701 ( -7.148 -4.127 -1.292) 8.354 4.361 ( 0.626 0.362 -4.845) 4.899 4.686 ( -0.378 -0.218 5.227) 5.245 4.945 ( -4.642 -2.680 3.235) 6.261 5.343 ( -6.848 -3.954 -1.183) 7.995 5.952 ( -9.293 -5.366 5.276) 11.958 9.652 ( 8.594 4.962 1.201) 9.996 10.482 ( 2.817 1.626 0.250) 3.262 11.114 ( 7.647 4.415 1.002) 8.887 12.924 ( -2.724 -1.573 -0.490) 3.184 14.564 ( -2.250 -1.299 4.672) 5.346 15.269 ( 5.573 3.218 -8.410) 10.589======================= Grid point 733 (130/165) =======================q-point: (-0.33 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.426 ( -3.324 -1.919 -6.695) 7.718 2.622 ( -7.429 -4.289 -4.796) 9.828 3.286 ( -13.115 -7.572 9.990) 18.142 3.458 ( -13.473 -7.779 -8.942) 17.944 4.356 ( -0.954 -0.551 -3.839) 3.994 4.634 ( -6.442 -3.719 10.669) 13.006 4.875 ( 0.269 0.155 4.307) 4.318 5.144 ( -9.833 -5.677 -3.558) 11.899 5.705 ( -10.932 -6.311 5.300) 13.690 9.895 ( 11.889 6.864 1.530) 13.813 10.627 ( 10.138 5.853 1.976) 11.872 11.307 ( 8.374 4.835 0.433) 9.679 12.848 ( -3.560 -2.055 -0.959) 4.221 14.517 ( -1.857 -1.072 4.737) 5.200 15.386 ( 4.322 2.496 -8.949) 10.247======================= Grid point 734 (131/165) =======================q-point: (-0.27 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.327 ( -5.272 -3.044 -5.126) 7.958 2.426 ( -9.379 -5.415 4.108) 11.583 2.983 ( -12.461 -7.194 8.220) 16.571 3.109 ( -15.362 -8.869 -16.491) 24.220 4.322 ( -1.793 -1.035 -2.626) 3.344 4.382 ( -14.301 -8.257 12.348) 20.619 4.841 ( -8.658 -4.999 0.387) 10.005 4.953 ( -4.069 -2.349 -0.313) 4.709 5.522 ( -2.041 -1.178 2.997) 3.812 10.185 ( 12.667 7.313 2.233) 14.796 10.963 ( 18.566 10.719 1.745) 21.509 11.480 ( 6.027 3.480 1.257) 7.072 12.766 ( -3.395 -1.960 -1.694) 4.270 14.465 ( -3.013 -1.740 4.393) 5.604 15.472 ( 3.398 1.962 -7.716) 8.657======================= Grid point 735 (132/165) =======================q-point: (-0.20 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.181 ( -7.168 -4.138 0.322) 8.283 2.183 ( -11.327 -6.540 16.120) 20.759 2.725 ( -9.334 -5.389 2.598) 11.086 2.791 ( -11.283 -6.514 -22.077) 25.635 3.990 ( -18.989 -10.963 14.360) 26.210 4.279 ( -1.820 -1.051 -1.471) 2.565 4.594 ( -10.477 -6.049 -7.855) 14.424 4.784 ( -10.538 -6.084 1.599) 12.273 5.679 ( 14.333 8.275 2.557) 16.747 10.468 ( 11.341 6.548 3.194) 13.479 11.436 ( 16.314 9.419 -8.682) 20.742 11.599 ( 8.483 4.898 11.110) 14.811 12.695 ( -2.613 -1.509 -2.578) 3.969 14.348 ( -7.719 -4.457 3.002) 9.406 15.576 ( 6.525 3.767 -4.206) 8.628======================= Grid point 736 (133/165) =======================q-point: (-0.13 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.929 ( -9.612 -5.550 22.453) 25.047 2.004 ( -7.691 -4.441 7.917) 11.898 2.556 ( -5.220 -3.014 -4.971) 7.812 2.591 ( -6.072 -3.506 -19.155) 20.398 3.526 ( -20.096 -11.603 17.294) 28.940 4.241 ( -1.334 -0.770 -0.523) 1.626 4.386 ( -7.150 -4.128 -13.695) 15.991 4.522 ( -11.071 -6.392 -1.847) 12.916 6.131 ( 23.635 13.646 3.799) 27.554 10.702 ( 8.585 4.957 3.903) 10.654 11.448 ( -7.658 -4.422 -4.499) 9.922 12.059 ( 21.377 12.342 4.723) 25.132 12.645 ( -1.770 -1.022 -3.205) 3.801 14.093 ( -13.692 -7.905 0.830) 15.832 15.816 ( 14.400 8.314 0.510) 16.635======================= Grid point 737 (134/165) =======================q-point: (-0.07 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.766 ( -4.033 -2.329 21.396) 21.897 1.841 ( -5.859 -3.383 13.877) 15.438 2.479 ( -1.446 -0.835 -10.499) 10.631 2.505 ( -1.435 -0.828 -13.319) 13.421 3.099 ( -15.374 -8.876 23.238) 29.243 4.218 ( -0.726 -0.419 0.169) 0.856 4.262 ( -3.658 -2.112 -13.720) 14.355 4.304 ( -6.829 -3.943 -9.306) 12.197 6.716 ( 23.964 13.836 3.925) 27.949 10.862 ( 4.983 2.877 3.755) 6.871 11.165 ( -14.963 -8.639 -0.910) 17.302 12.451 ( 11.414 6.590 0.038) 13.180 12.611 ( -1.197 -0.691 -3.075) 3.372 13.778 ( -11.344 -6.549 -0.147) 13.099 16.196 ( 15.721 9.077 1.880) 18.251======================= Grid point 739 (135/165) =======================q-point: ( 0.07 0.07 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.835 ( 1.258 7.683 19.206) 20.724 1.988 ( 6.946 8.324 17.211) 20.341 2.444 ( -2.261 4.245 -13.116) 13.970 2.637 ( 7.254 4.493 -14.263) 16.620 3.406 ( 11.771 19.797 18.772) 29.713 4.214 ( -0.325 0.846 -0.715) 1.154 4.379 ( 4.650 6.841 -18.519) 20.282 4.449 ( 6.906 10.033 -0.061) 12.180 6.288 ( -14.011 -25.091 3.600) 28.963 10.779 ( -2.284 -8.420 1.841) 8.916 11.355 ( 2.332 10.968 -0.085) 11.213 12.241 ( -5.074 -19.871 -2.039) 20.609 12.617 ( -0.745 2.409 -2.122) 3.296 14.013 ( 8.986 14.904 0.020) 17.403 15.881 ( -12.662 -16.804 4.213) 21.458======================= Grid point 740 (136/165) =======================q-point: ( 0.13 0.07 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.965 ( 3.479 9.370 14.888) 17.932 2.211 ( 6.794 9.204 22.154) 24.933 2.525 ( 5.715 7.848 -18.902) 21.249 2.838 ( 9.328 6.726 -14.106) 18.199 3.858 ( 16.798 18.138 14.176) 28.498 4.227 ( 0.706 0.893 0.518) 1.251 4.552 ( 5.904 9.214 -13.919) 17.706 4.720 ( 11.713 9.382 -1.241) 15.058 5.828 ( -13.089 -16.428 1.324) 21.046 10.603 ( -7.035 -10.016 -0.389) 12.246 11.390 ( -6.557 0.819 4.902) 8.228 11.911 ( -6.513 -21.451 -10.144) 24.606 12.645 ( 0.707 3.428 -0.371) 3.520 14.318 ( 9.274 10.869 -0.637) 14.302 15.517 ( -12.114 -9.353 8.308) 17.414======================= Grid point 741 (137/165) =======================q-point: ( 0.20 0.07 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.135 ( 4.116 10.754 9.966) 15.228 2.377 ( 2.421 8.866 13.129) 16.026 2.811 ( 14.882 10.510 -10.279) 20.918 3.095 ( 11.033 8.576 -12.577) 18.800 4.244 ( 2.384 1.071 3.034) 4.004 4.328 ( 15.019 14.215 7.373) 21.954 4.763 ( 7.586 8.710 -9.078) 14.691 4.997 ( 8.097 6.887 -2.767) 10.984 5.537 ( -4.271 -8.200 -0.103) 9.246 10.343 ( -10.412 -10.516 -1.170) 14.845 11.139 ( -15.016 -8.628 3.812) 17.733 11.650 ( -3.638 -13.834 -11.800) 18.543 12.711 ( 2.272 4.307 0.685) 4.918 14.521 ( 4.270 5.688 -2.615) 7.578 15.290 ( -6.458 -4.304 11.826) 14.146======================= Grid point 742 (138/165) =======================q-point: ( 0.27 0.07 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.316 ( 2.722 12.937 5.482) 14.312 2.499 ( 2.158 8.122 6.690) 10.741 3.195 ( 16.132 9.597 -2.838) 18.984 3.384 ( 11.102 9.679 -10.345) 17.999 4.272 ( 0.870 0.619 2.625) 2.833 4.695 ( 11.649 9.033 1.420) 14.809 4.981 ( 7.871 5.610 -2.473) 9.977 5.048 ( -4.241 1.727 -5.865) 7.441 5.587 ( 11.744 1.186 1.358) 11.882 10.046 ( -11.512 -9.658 -0.796) 15.047 10.800 ( -12.022 -8.547 -1.033) 14.787 11.454 ( -5.795 -9.925 -7.879) 13.935 12.806 ( 2.942 5.113 0.883) 5.965 14.601 ( 1.008 2.611 -4.183) 5.033 15.176 ( -3.119 -3.104 12.736) 13.474======================= Grid point 743 (139/165) =======================q-point: ( 0.33 0.07 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.477 ( -1.232 15.516 2.492) 15.763 2.623 ( 3.888 6.291 2.924) 7.953 3.529 ( 12.290 5.924 1.092) 13.687 3.660 ( 8.828 9.413 -7.322) 14.837 4.288 ( 0.080 1.006 2.530) 2.724 4.861 ( -0.842 -0.053 -5.875) 5.935 4.975 ( 1.037 2.696 -2.036) 3.534 5.211 ( 8.515 5.687 0.641) 10.259 5.833 ( 12.750 1.485 1.823) 12.965 9.766 ( -9.980 -7.607 0.000) 12.549 10.575 ( -6.004 -4.697 -2.903) 8.157 11.247 ( -7.190 -8.110 -4.849) 11.873 12.907 ( 2.203 5.570 0.624) 6.023 14.633 ( 0.754 1.270 -4.110) 4.367 15.099 ( -2.150 -3.184 10.363) 11.053======================= Grid point 744 (140/165) =======================q-point: ( 0.40 0.07 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.577 ( -4.724 14.860 1.058) 15.629 2.757 ( 3.673 6.098 -1.995) 7.393 3.727 ( 6.295 1.046 3.388) 7.225 3.856 ( 3.262 7.034 -2.312) 8.091 4.301 ( -0.335 2.526 0.532) 2.603 4.789 ( -3.571 -1.210 -5.199) 6.422 5.041 ( 1.927 0.977 -1.306) 2.525 5.381 ( 5.671 2.639 1.407) 6.411 6.023 ( 8.530 -1.610 2.172) 8.948 9.563 ( -5.710 -4.570 0.621) 7.340 10.485 ( -1.484 -1.377 -3.166) 3.757 11.057 ( -5.690 -5.973 -1.783) 8.440 12.985 ( 0.239 5.321 0.261) 5.332 14.653 ( 0.424 0.154 -1.710) 1.769 15.048 ( 0.030 -2.290 4.676) 5.207======================= Grid point 745 (141/165) =======================q-point: ( 0.47 0.07 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.617 ( -6.322 12.246 -0.536) 13.792 2.851 ( -0.117 5.426 -7.061) 8.906 3.784 ( 1.463 -2.068 4.480) 5.147 3.888 ( -5.236 2.451 4.166) 7.126 4.337 ( 0.251 4.299 -3.568) 5.592 4.731 ( -1.984 -0.890 -2.520) 3.329 5.050 ( -0.808 -0.960 0.666) 1.420 5.451 ( 0.964 -0.582 0.780) 1.370 6.084 ( 2.359 -5.398 3.020) 6.620 9.488 ( 0.380 -0.837 0.927) 1.306 10.466 ( -0.417 -0.446 -2.769) 2.836 10.958 ( -0.045 -2.163 1.033) 2.397 13.017 ( -2.268 4.272 -0.073) 4.838 14.638 ( -1.459 -1.313 2.365) 3.073 15.073 ( 4.325 -0.205 -2.732) 5.119======================= Grid point 747 (142/165) =======================q-point: (-0.47 0.07 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.605 ( -7.351 9.106 -2.508) 11.969 2.849 ( -5.078 3.129 -9.475) 11.196 3.724 ( -9.018 -2.022 7.163) 11.693 3.764 ( -5.443 -2.413 2.177) 6.339 4.371 ( -0.757 2.340 -4.940) 5.518 4.704 ( -0.818 0.883 1.988) 2.324 4.997 ( -3.508 -1.720 2.498) 4.637 5.403 ( -4.086 -3.173 -0.310) 5.183 5.999 ( -3.920 -8.495 4.312) 10.302 9.559 ( 6.481 2.742 0.987) 7.106 10.459 ( 0.696 -0.047 -0.749) 1.024 11.018 ( 6.507 1.625 1.411) 6.853 12.992 ( -4.433 2.685 -0.372) 5.196 14.590 ( -2.124 -1.348 4.208) 4.903 15.177 ( 6.735 0.541 -6.942) 9.688======================= Grid point 748 (143/165) =======================q-point: (-0.40 0.07 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.543 ( -7.989 5.157 -4.444) 10.496 2.747 ( -8.823 1.568 -6.984) 11.362 3.474 ( -14.655 -3.480 9.175) 17.637 3.603 ( -10.288 -5.298 -5.945) 13.010 4.358 ( -0.984 -1.216 -3.291) 3.643 4.706 ( -2.610 1.938 7.162) 7.865 4.915 ( -3.523 0.714 3.189) 4.805 5.253 ( -8.346 -4.582 -2.014) 9.732 5.793 ( -8.212 -9.969 5.069) 13.875 9.755 ( 10.928 5.024 0.984) 12.068 10.527 ( 6.395 2.931 1.387) 7.170 11.185 ( 9.304 2.417 0.552) 9.628 12.922 ( -5.517 1.054 -0.730) 5.664 14.547 ( -1.907 -0.096 4.569) 4.952 15.298 ( 6.578 -0.436 -8.171) 10.499======================= Grid point 749 (144/165) =======================q-point: (-0.33 0.07 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.429 ( -8.277 0.388 -4.696) 9.524 2.587 ( -11.171 1.672 -0.294) 11.299 3.167 ( -15.347 -4.783 8.097) 17.999 3.305 ( -15.666 -6.661 -12.872) 21.342 4.321 ( -1.023 -2.760 -1.169) 3.167 4.573 ( -12.112 -1.931 9.195) 15.329 4.937 ( -0.637 5.806 5.325) 7.904 5.034 ( -10.283 -4.929 -4.915) 12.417 5.553 ( -6.545 -8.337 3.742) 11.241 10.023 ( 13.178 5.499 1.207) 14.330 10.763 ( 14.892 7.484 2.357) 16.833 11.364 ( 8.788 0.780 0.081) 8.823 12.830 ( -5.304 -0.141 -1.269) 5.455 14.516 ( -2.603 1.206 4.493) 5.331 15.390 ( 5.501 -2.067 -7.444) 9.484======================= Grid point 750 (145/165) =======================q-point: (-0.27 0.07 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.260 ( -9.081 -3.976 1.536) 10.031 2.393 ( -12.958 1.779 7.694) 15.174 2.852 ( -13.489 -6.961 -0.093) 15.179 2.983 ( -14.506 -2.374 -15.321) 21.232 4.227 ( -12.127 -4.501 9.625) 16.123 4.315 ( -8.253 -1.654 1.208) 8.503 4.772 ( -13.142 -1.676 -6.453) 14.736 4.914 ( -8.606 -1.378 3.625) 9.440 5.515 ( 8.796 0.459 1.627) 8.957 10.310 ( 13.347 4.829 1.766) 14.303 11.191 ( 22.565 11.325 1.242) 25.278 11.488 ( 5.827 -2.313 0.802) 6.320 12.742 ( -4.182 -0.779 -1.963) 4.685 14.459 ( -6.130 1.117 3.634) 7.213 15.463 ( 6.435 -2.761 -4.553) 8.352======================= Grid point 751 (146/165) =======================q-point: (-0.20 0.07 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.038 ( -10.193 -5.458 13.694) 17.923 2.180 ( -12.794 1.335 12.997) 18.287 2.589 ( -8.103 -6.423 -11.007) 15.102 2.764 ( -10.830 2.195 -14.314) 18.083 3.838 ( -23.174 -3.552 14.899) 27.778 4.245 ( -1.387 -1.857 -1.095) 2.564 4.546 ( -11.619 0.410 -11.738) 16.521 4.686 ( -13.032 -2.686 0.955) 13.341 5.815 ( 20.932 4.313 2.454) 21.512 10.573 ( 11.546 3.676 2.255) 12.325 11.496 ( -1.342 -3.049 -2.690) 4.282 11.746 ( 26.254 9.502 2.852) 28.065 12.671 ( -2.812 -1.183 -2.480) 3.931 14.297 ( -13.124 -0.582 1.587) 13.232 15.599 ( 12.743 -1.675 0.515) 12.863======================= Grid point 756 (147/165) =======================q-point: ( 0.13 0.13 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.186 ( 3.096 11.651 7.076) 13.979 2.428 ( 6.493 12.003 15.438) 20.605 2.737 ( 5.454 13.188 -12.158) 18.748 3.004 ( 9.725 9.916 -12.555) 18.722 4.198 ( 7.490 10.079 8.836) 15.354 4.286 ( 4.675 9.368 2.022) 10.663 4.753 ( 5.217 10.341 -9.050) 14.699 4.923 ( 9.139 10.453 1.475) 13.963 5.529 ( -6.459 -12.386 0.405) 13.975 10.371 ( -6.192 -12.690 0.054) 14.120 11.295 ( -14.117 -14.925 7.072) 21.727 11.507 ( 2.001 -12.233 -9.099) 15.377 12.725 ( 1.548 4.513 -1.192) 4.917 14.495 ( 5.635 6.004 1.053) 8.301 15.378 ( -8.391 -4.574 3.177) 10.071======================= Grid point 757 (148/165) =======================q-point: ( 0.20 0.13 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.375 ( 4.778 11.879 2.113) 12.977 2.625 ( 0.228 15.861 11.487) 19.584 3.034 ( 12.977 11.421 -5.758) 18.221 3.297 ( 11.100 11.410 -10.977) 19.336 4.261 ( 0.972 0.882 1.718) 2.162 4.602 ( 10.789 11.836 4.812) 16.723 4.931 ( 4.901 7.209 -4.611) 9.862 5.144 ( 0.623 8.297 -1.294) 8.420 5.395 ( 5.757 -5.598 0.651) 8.056 10.114 ( -8.596 -11.868 -0.763) 14.674 10.909 ( -12.030 -13.584 1.650) 18.220 11.406 ( -1.450 -9.879 -6.080) 11.691 12.816 ( 2.658 6.076 -0.085) 6.632 14.604 ( 2.271 2.259 -1.146) 3.402 15.219 ( -5.718 -2.856 6.457) 9.086======================= Grid point 758 (149/165) =======================q-point: ( 0.27 0.13 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.583 ( 5.335 11.231 -1.034) 12.476 2.769 ( -4.157 20.014 8.159) 22.009 3.368 ( 13.188 7.178 0.019) 15.014 3.605 ( 10.139 11.928 -9.318) 18.218 4.287 ( 1.110 0.844 1.918) 2.371 4.834 ( 5.357 4.395 -1.073) 7.012 5.021 ( -1.242 0.975 -1.561) 2.220 5.175 ( 1.079 8.207 -1.483) 8.409 5.591 ( 14.672 -0.926 1.765) 14.806 9.846 ( -9.065 -9.925 -0.262) 13.445 10.630 ( -7.130 -7.913 -1.140) 10.712 11.257 ( -4.337 -9.290 -4.237) 11.093 12.933 ( 2.694 7.404 0.409) 7.890 14.638 ( 0.418 0.839 -3.305) 3.436 15.109 ( -3.448 -3.511 8.031) 9.419======================= Grid point 759 (150/165) =======================q-point: ( 0.33 0.13 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.766 ( 3.434 8.378 0.234) 9.057 2.892 ( -6.894 24.067 1.892) 25.107 3.607 ( 8.677 1.664 3.379) 9.460 3.870 ( 6.138 11.144 -6.222) 14.162 4.322 ( 1.271 2.300 1.823) 3.198 4.848 ( -3.882 -0.943 -4.371) 5.922 5.026 ( 0.904 1.919 -1.351) 2.515 5.313 ( 5.226 4.300 1.159) 6.866 5.809 ( 12.268 -3.747 1.724) 12.943 9.615 ( -6.884 -7.299 0.472) 10.044 10.498 ( -2.267 -2.682 -2.085) 4.084 11.082 ( -5.190 -8.070 -2.117) 9.826 13.046 ( 1.006 7.996 0.378) 8.068 14.650 ( 0.328 0.383 -3.567) 3.603 15.026 ( -1.480 -4.062 6.366) 7.695======================= Grid point 760 (151/165) =======================q-point: ( 0.40 0.13 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.855 ( -2.918 8.662 4.122) 10.027 3.009 ( -6.878 21.400 -7.115) 23.577 3.711 ( 4.243 -2.089 4.372) 6.440 4.007 ( -2.211 7.438 0.263) 7.764 4.384 ( 1.130 5.560 -0.874) 5.741 4.760 ( -3.376 -2.134 -4.139) 5.751 5.049 ( 0.141 0.026 -0.104) 0.177 5.412 ( 2.996 0.501 1.140) 3.244 5.928 ( 7.611 -7.636 1.998) 10.965 9.478 ( -1.919 -3.890 0.833) 4.417 10.471 ( -0.349 0.086 -2.111) 2.141 10.940 ( -2.191 -5.484 0.426) 5.921 13.118 ( -1.974 7.409 0.062) 7.667 14.648 ( -0.829 -0.591 -0.504) 1.136 14.995 ( 2.555 -2.949 0.839) 3.991======================= Grid point 761 (152/165) =======================q-point: (-0.53 0.13 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.848 ( -7.331 8.011 2.531) 11.150 3.053 ( -9.605 15.424 -8.993) 20.274 3.738 ( 1.224 -1.701 2.061) 2.940 3.939 ( -10.457 2.300 5.686) 12.123 4.435 ( -2.453 4.207 -4.649) 6.733 4.716 ( 0.405 -0.062 -0.531) 0.671 5.031 ( -1.777 -0.622 1.507) 2.412 5.421 ( -1.086 -2.029 0.439) 2.342 5.918 ( 1.887 -10.699 2.849) 11.232 9.478 ( 4.290 -0.208 0.833) 4.375 10.460 ( -0.952 -0.106 -1.045) 1.418 10.925 ( 4.419 -1.165 1.634) 4.853 13.122 ( -5.101 5.614 -0.302) 7.591 14.611 ( -1.886 -1.074 2.768) 3.517 15.055 ( 6.392 -1.696 -4.435) 7.963======================= Grid point 762 (153/165) =======================q-point: (-0.47 0.13 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.761 ( -9.743 4.444 -1.162) 10.771 2.992 ( -12.406 11.298 -5.072) 17.529 3.698 ( -5.103 -2.586 -4.831) 7.488 3.715 ( -14.860 -0.493 7.271) 16.551 4.382 ( -3.589 -1.762 -3.185) 5.112 4.760 ( 0.378 4.418 3.138) 5.432 4.984 ( -2.988 0.948 2.340) 3.912 5.338 ( -5.502 -2.620 -0.636) 6.127 5.785 ( -3.570 -12.137 3.727) 13.189 9.614 ( 9.522 2.490 0.558) 9.858 10.467 ( 2.501 0.839 0.763) 2.746 11.046 ( 8.461 1.094 0.882) 8.577 13.057 ( -7.153 3.157 -0.573) 7.839 14.576 ( -1.406 0.251 3.716) 3.981 15.160 ( 7.360 -2.239 -6.169) 9.861======================= Grid point 763 (154/165) =======================q-point: (-0.40 0.13 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.606 ( -10.691 0.683 -3.129) 11.160 2.859 ( -14.121 8.453 0.561) 16.468 3.399 ( -16.238 -5.719 4.561) 17.810 3.518 ( -13.656 -1.516 -9.671) 16.802 4.314 ( -1.470 -2.541 -0.124) 2.938 4.743 ( -7.072 1.668 5.634) 9.195 4.990 ( 0.320 5.080 1.808) 5.402 5.189 ( -9.388 0.054 -1.579) 9.520 5.568 ( -6.514 -11.909 3.360) 13.984 9.841 ( 12.596 3.196 0.213) 12.997 10.596 ( 10.336 3.536 1.849) 11.080 11.213 ( 9.048 0.727 -0.354) 9.084 12.947 ( -7.457 0.978 -0.830) 7.567 14.567 ( -1.188 2.104 3.727) 4.442 15.252 ( 6.530 -3.832 -5.395) 9.297======================= Grid point 764 (155/165) =======================q-point: (-0.33 0.13 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.410 ( -11.046 -1.720 -0.651) 11.198 2.667 ( -14.928 3.815 7.403) 17.094 3.049 ( -16.230 -6.266 -2.259) 17.544 3.242 ( -15.989 0.720 -11.173) 19.519 4.271 ( -1.426 -1.609 1.248) 2.486 4.561 ( -14.679 0.672 6.805) 16.193 4.954 ( -8.464 -2.688 -5.227) 10.305 5.087 ( -8.441 7.882 4.208) 12.292 5.393 ( 1.608 -6.508 0.458) 6.719 10.105 ( 14.095 2.399 0.067) 14.298 10.900 ( 19.223 4.735 2.592) 19.966 11.362 ( 7.306 0.162 -2.258) 7.649 12.828 ( -6.326 -0.331 -1.121) 6.433 14.562 ( -2.964 2.850 2.980) 5.078 15.313 ( 5.874 -5.065 -2.301) 8.090======================= Grid point 772 (156/165) =======================q-point: ( 0.20 0.20 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.600 ( 5.206 10.591 -1.551) 11.903 2.972 ( 7.523 16.500 9.380) 20.417 3.276 ( 5.240 13.173 -3.168) 14.527 3.544 ( 10.553 12.457 -9.661) 18.971 4.281 ( 0.192 1.228 1.222) 1.743 4.783 ( 6.245 6.046 3.097) 9.228 5.028 ( 0.987 2.081 -1.693) 2.859 5.320 ( 4.426 0.331 -0.485) 4.464 5.341 ( 2.296 8.913 2.375) 9.505 9.875 ( -6.600 -11.670 -0.322) 13.411 10.646 ( -5.359 -11.152 0.910) 12.406 11.230 ( -3.305 -8.218 -2.261) 9.142 12.953 ( 3.751 7.358 -0.328) 8.265 14.617 ( 2.208 -0.559 0.797) 2.413 15.165 ( -6.418 -2.822 0.777) 7.054======================= Grid point 773 (157/165) =======================q-point: ( 0.27 0.20 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.792 ( 4.490 10.153 -0.865) 11.135 3.239 ( -1.230 24.665 6.586) 25.559 3.477 ( 7.400 3.677 0.926) 8.315 3.848 ( 9.970 11.663 -9.277) 17.930 4.308 ( 1.560 1.341 1.563) 2.584 4.879 ( 0.438 0.427 -0.659) 0.899 5.044 ( -0.238 0.956 -0.681) 1.198 5.333 ( -1.895 6.959 0.328) 7.220 5.550 ( 12.202 -2.967 1.629) 12.662 9.650 ( -6.584 -9.483 0.213) 11.546 10.504 ( -2.127 -4.088 -0.359) 4.622 11.079 ( -4.247 -8.523 -1.342) 9.617 13.096 ( 3.100 8.425 0.088) 8.977 14.639 ( 1.231 -0.429 -1.805) 2.226 15.034 ( -4.496 -4.006 3.009) 6.732======================= Grid point 774 (158/165) =======================q-point: ( 0.33 0.20 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.947 ( 1.410 9.526 0.762) 9.659 3.405 ( -8.552 23.760 -1.998) 25.331 3.607 ( 6.002 0.299 6.891) 9.143 4.095 ( 3.472 10.849 -5.489) 12.644 4.375 ( 4.630 2.665 1.223) 5.481 4.814 ( -5.355 -2.907 -3.259) 6.910 5.053 ( -0.037 0.991 -0.194) 1.010 5.380 ( 1.276 2.392 1.082) 2.919 5.689 ( 9.803 -7.790 1.296) 12.588 9.474 ( -3.646 -6.540 0.627) 7.514 10.477 ( 0.252 0.755 -0.645) 1.025 10.924 ( -3.520 -7.603 0.251) 8.383 13.214 ( 0.422 8.191 0.042) 8.202 14.654 ( 0.259 0.270 -2.559) 2.586 14.938 ( -0.934 -4.633 2.529) 5.360======================= Grid point 775 (159/165) =======================q-point: ( 0.40 0.20 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.017 ( -3.899 7.828 1.051) 8.808 3.419 ( -9.757 12.588 -1.685) 16.016 3.711 ( 1.155 7.222 1.980) 7.577 4.136 ( -7.434 4.878 2.724) 9.300 4.513 ( 1.651 6.473 -3.022) 7.332 4.687 ( -1.127 -5.069 -3.149) 6.073 5.054 ( -0.957 0.618 0.791) 1.387 5.409 ( 0.640 -0.504 0.920) 1.229 5.732 ( 6.039 -11.091 1.532) 12.721 9.407 ( 1.788 -3.024 0.701) 3.582 10.490 ( -1.396 1.669 -0.389) 2.210 10.840 ( 2.047 -4.333 1.677) 5.077 13.263 ( -3.510 6.430 -0.278) 7.331 14.640 ( -2.009 0.086 0.363) 2.043 14.929 ( 4.660 -3.551 -1.623) 6.079======================= Grid point 777 (160/165) =======================q-point: (-0.53 0.20 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.962 ( -8.855 3.737 -0.914) 9.655 3.349 ( -11.451 10.751 3.177) 16.025 3.759 ( -3.821 4.203 -5.924) 8.207 3.969 ( -13.569 0.821 4.848) 14.433 4.440 ( -5.841 -3.930 -4.193) 8.194 4.768 ( 4.563 4.966 0.666) 6.777 5.036 ( -1.786 1.086 1.393) 2.512 5.391 ( -2.169 -0.084 0.335) 2.196 5.678 ( 1.325 -12.187 2.128) 12.442 9.475 ( 7.528 -0.111 0.525) 7.547 10.464 ( -1.518 0.481 0.590) 1.698 10.910 ( 7.595 -0.289 1.288) 7.709 13.220 ( -7.063 3.635 -0.474) 7.958 14.606 ( -1.712 0.718 2.049) 2.765 15.005 ( 7.092 -3.038 -3.784) 8.593======================= Grid point 778 (161/165) =======================q-point: (-0.47 0.20 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.803 ( -11.061 0.416 -2.111) 11.268 3.224 ( -15.551 9.852 6.324) 19.465 3.579 ( -12.697 -8.800 -2.259) 15.612 3.766 ( -13.057 4.330 -6.069) 15.035 4.326 ( -2.836 -2.588 -0.008) 3.839 4.844 ( -1.473 3.165 2.219) 4.136 5.030 ( -0.567 2.300 0.616) 2.448 5.343 ( -5.256 4.260 -0.113) 6.766 5.538 ( -3.636 -11.281 2.396) 12.092 9.650 ( 11.429 0.920 0.153) 11.467 10.489 ( 4.255 1.159 0.965) 4.514 11.064 ( 9.043 0.799 -0.090) 9.079 13.102 ( -8.726 1.027 -0.434) 8.797 14.601 ( -0.533 2.006 1.886) 2.805 15.096 ( 6.827 -3.697 -2.768) 8.243======================= Grid point 789 (162/165) =======================q-point: ( 0.27 0.27 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.994 ( 4.760 9.529 -0.691) 10.674 3.488 ( 5.502 -0.427 6.016) 8.163 3.737 ( 0.829 21.301 2.238) 21.435 4.052 ( 12.460 8.105 -8.520) 17.133 4.352 ( -0.762 3.631 0.286) 3.722 4.845 ( -1.118 -4.388 -0.531) 4.559 5.057 ( 0.920 0.575 0.412) 1.161 5.436 ( 0.034 2.022 0.349) 2.053 5.493 ( 0.495 -1.122 1.569) 1.991 9.474 ( -4.432 -7.577 0.426) 8.788 10.474 ( 1.106 1.061 0.686) 1.679 10.912 ( -4.158 -7.950 0.631) 8.994 13.256 ( 3.780 6.940 -0.279) 7.907 14.634 ( 2.087 0.308 -0.403) 2.148 14.947 ( -5.215 -4.596 -0.551) 6.973======================= Grid point 790 (163/165) =======================q-point: ( 0.33 0.27 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.144 ( 0.332 9.780 0.732) 9.813 3.477 ( 0.194 -5.898 1.383) 6.061 3.953 ( -3.629 22.168 6.527) 23.393 4.291 ( -2.551 8.127 -4.691) 9.724 4.421 ( 12.028 2.046 -1.196) 12.259 4.709 ( -6.938 -8.009 -3.712) 11.227 5.073 ( -0.109 0.885 0.640) 1.098 5.412 ( -1.751 0.872 0.979) 2.188 5.522 ( 5.687 -7.704 0.859) 9.614 9.363 ( -1.023 -4.186 0.518) 4.340 10.529 ( 0.882 4.219 0.854) 4.394 10.775 ( -1.692 -7.154 1.552) 7.513 13.355 ( 0.119 5.246 -0.419) 5.264 14.673 ( 0.179 1.959 -1.353) 2.388 14.840 ( -0.385 -5.015 -0.077) 5.030======================= Grid point 791 (164/165) =======================q-point: (-0.60 0.27 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.151 ( -8.166 4.343 0.014) 9.249 3.456 ( 2.555 -1.694 3.167) 4.407 4.017 ( -11.696 13.264 3.622) 18.051 4.200 ( -11.027 3.346 -0.584) 11.538 4.486 ( -6.375 -9.017 -5.440) 12.311 4.685 ( 10.644 4.300 -1.810) 11.622 5.070 ( -1.042 0.726 0.876) 1.543 5.415 ( 0.414 1.968 0.809) 2.168 5.520 ( 3.539 -8.791 1.033) 9.533 9.363 ( 4.167 -1.223 0.497) 4.371 10.527 ( -4.353 1.490 1.072) 4.724 10.773 ( 6.811 -1.977 1.667) 7.286 13.356 ( -4.469 2.445 -0.526) 5.122 14.658 ( -2.972 1.550 0.137) 3.354 14.858 ( 6.044 -3.087 -1.771) 7.014======================= Grid point 805 (165/165) =======================q-point: ( 0.33 0.33 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 3.36e-05 3.36e-05 Number of triplets: 270Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.330 ( -3.720 -7.441 1.188) 8.404 3.330 ( 3.720 7.441 1.188) 8.404 4.214 ( -0.000 -0.000 14.076) 14.076 4.454 ( -3.221 -6.441 -2.587) 7.652 4.454 ( 3.221 6.441 -2.587) 7.652 4.513 ( 0.000 0.000 -11.970) 11.970 5.083 ( -0.000 -0.000 0.822) 0.822 5.427 ( -0.629 -1.257 0.857) 1.646 5.427 ( 0.629 1.257 0.857) 1.646 9.318 ( -0.000 -0.000 0.446) 0.446 10.638 ( -2.822 -5.644 1.662) 6.526 10.638 ( 2.822 5.644 1.662) 6.526 13.410 ( -0.000 -0.000 -0.635) 0.635 14.740 ( -2.104 -4.207 -0.860) 4.782 14.740 ( 2.104 4.207 -0.860) 4.782=================== 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 3/23625 10.0 3056.567 3056.567 3172.912 -0.000 -0.000 -0.000 3/23625 20.0 1152.884 1152.884 1170.378 -0.000 -0.000 -0.000 3/23625 30.0 470.353 470.353 395.823 -0.000 -0.000 -0.000 3/23625 40.0 256.987 256.987 196.842 -0.000 -0.000 -0.000 3/23625 50.0 175.030 175.030 126.845 -0.000 -0.000 -0.000 3/23625 60.0 133.676 133.676 93.731 -0.000 -0.000 -0.000 3/23625 70.0 108.299 108.299 74.470 -0.000 -0.000 -0.000 3/23625 80.0 90.677 90.677 61.645 -0.000 -0.000 -0.000 3/23625 90.0 77.536 77.536 52.369 -0.000 -0.000 -0.000 3/23625 100.0 67.335 67.335 45.322 -0.000 -0.000 -0.000 3/23625 110.0 59.225 59.225 39.803 -0.000 -0.000 -0.000 3/23625 120.0 52.670 52.670 35.387 -0.000 -0.000 -0.000 3/23625 130.0 47.300 47.300 31.793 -0.000 -0.000 -0.000 3/23625 140.0 42.849 42.849 28.828 -0.000 -0.000 -0.000 3/23625 150.0 39.117 39.117 26.348 -0.000 -0.000 -0.000 3/23625 160.0 35.956 35.956 24.251 -0.000 -0.000 -0.000 3/23625 170.0 33.252 33.252 22.458 -0.000 -0.000 -0.000 3/23625 180.0 30.919 30.919 20.911 -0.000 -0.000 -0.000 3/23625 190.0 28.889 28.889 19.564 -0.000 -0.000 -0.000 3/23625 200.0 27.108 27.108 18.381 -0.000 -0.000 -0.000 3/23625 210.0 25.535 25.535 17.335 -0.000 -0.000 -0.000 3/23625 220.0 24.137 24.137 16.404 -0.000 -0.000 -0.000 3/23625 230.0 22.885 22.885 15.571 -0.000 -0.000 -0.000 3/23625 240.0 21.760 21.760 14.820 -0.000 -0.000 -0.000 3/23625 250.0 20.743 20.743 14.140 -0.000 -0.000 -0.000 3/23625 260.0 19.818 19.818 13.521 -0.000 -0.000 -0.000 3/23625 270.0 18.975 18.975 12.956 -0.000 -0.000 -0.000 3/23625 280.0 18.203 18.203 12.438 -0.000 -0.000 -0.000 3/23625 290.0 17.493 17.493 11.961 -0.000 -0.000 -0.000 3/23625 300.0 16.838 16.838 11.521 -0.000 -0.000 -0.000 3/23625 310.0 16.231 16.231 11.113 -0.000 -0.000 -0.000 3/23625 320.0 15.668 15.668 10.733 -0.000 -0.000 -0.000 3/23625 330.0 15.145 15.145 10.380 -0.000 -0.000 -0.000 3/23625 340.0 14.656 14.656 10.050 -0.000 -0.000 -0.000 3/23625 350.0 14.198 14.198 9.741 -0.000 -0.000 -0.000 3/23625 360.0 13.770 13.770 9.451 -0.000 -0.000 -0.000 3/23625 370.0 13.367 13.367 9.178 -0.000 -0.000 -0.000 3/23625 380.0 12.988 12.988 8.921 -0.000 -0.000 -0.000 3/23625 390.0 12.630 12.630 8.679 -0.000 -0.000 -0.000 3/23625 400.0 12.292 12.292 8.449 -0.000 -0.000 -0.000 3/23625 410.0 11.973 11.973 8.232 -0.000 -0.000 -0.000 3/23625 420.0 11.670 11.670 8.026 -0.000 -0.000 -0.000 3/23625 430.0 11.382 11.382 7.831 -0.000 -0.000 -0.000 3/23625 440.0 11.109 11.109 7.645 -0.000 -0.000 -0.000 3/23625 450.0 10.848 10.848 7.468 -0.000 -0.000 -0.000 3/23625 460.0 10.600 10.600 7.299 -0.000 -0.000 -0.000 3/23625 470.0 10.364 10.364 7.137 -0.000 -0.000 -0.000 3/23625 480.0 10.138 10.138 6.983 -0.000 -0.000 -0.000 3/23625 490.0 9.922 9.922 6.836 -0.000 -0.000 -0.000 3/23625 500.0 9.715 9.715 6.695 -0.000 -0.000 -0.000 3/23625 510.0 9.517 9.517 6.559 -0.000 -0.000 -0.000 3/23625 520.0 9.326 9.326 6.430 -0.000 -0.000 -0.000 3/23625 530.0 9.144 9.144 6.305 -0.000 -0.000 -0.000 3/23625 540.0 8.969 8.969 6.185 -0.000 -0.000 -0.000 3/23625 550.0 8.800 8.800 6.070 -0.000 -0.000 -0.000 3/23625 560.0 8.638 8.638 5.959 -0.000 -0.000 -0.000 3/23625 570.0 8.482 8.482 5.852 -0.000 -0.000 -0.000 3/23625 580.0 8.331 8.331 5.749 -0.000 -0.000 -0.000 3/23625 590.0 8.186 8.186 5.649 -0.000 -0.000 -0.000 3/23625 600.0 8.046 8.046 5.553 -0.000 -0.000 -0.000 3/23625 610.0 7.911 7.911 5.461 -0.000 -0.000 -0.000 3/23625 620.0 7.780 7.780 5.371 -0.000 -0.000 -0.000 3/23625 630.0 7.653 7.653 5.284 -0.000 -0.000 -0.000 3/23625 640.0 7.531 7.531 5.200 -0.000 -0.000 -0.000 3/23625 650.0 7.413 7.413 5.119 -0.000 -0.000 -0.000 3/23625 660.0 7.298 7.298 5.041 -0.000 -0.000 -0.000 3/23625 670.0 7.187 7.187 4.964 -0.000 -0.000 -0.000 3/23625 680.0 7.079 7.079 4.890 -0.000 -0.000 -0.000 3/23625 690.0 6.975 6.975 4.819 -0.000 -0.000 -0.000 3/23625 700.0 6.873 6.873 4.749 -0.000 -0.000 -0.000 3/23625 710.0 6.775 6.775 4.681 -0.000 -0.000 -0.000 3/23625 720.0 6.679 6.679 4.616 -0.000 -0.000 -0.000 3/23625 730.0 6.586 6.586 4.552 -0.000 -0.000 -0.000 3/23625 740.0 6.496 6.496 4.490 -0.000 -0.000 -0.000 3/23625 750.0 6.408 6.408 4.429 -0.000 -0.000 -0.000 3/23625 760.0 6.323 6.323 4.371 -0.000 -0.000 -0.000 3/23625 770.0 6.239 6.239 4.313 -0.000 -0.000 -0.000 3/23625 780.0 6.158 6.158 4.258 -0.000 -0.000 -0.000 3/23625 790.0 6.079 6.079 4.203 -0.000 -0.000 -0.000 3/23625 800.0 6.003 6.003 4.150 -0.000 -0.000 -0.000 3/23625 810.0 5.928 5.928 4.099 -0.000 -0.000 -0.000 3/23625 820.0 5.855 5.855 4.049 -0.000 -0.000 -0.000 3/23625 830.0 5.783 5.783 4.000 -0.000 -0.000 -0.000 3/23625 840.0 5.714 5.714 3.952 -0.000 -0.000 -0.000 3/23625 850.0 5.646 5.646 3.905 -0.000 -0.000 -0.000 3/23625 860.0 5.580 5.580 3.859 -0.000 -0.000 -0.000 3/23625 870.0 5.515 5.515 3.815 -0.000 -0.000 -0.000 3/23625 880.0 5.452 5.452 3.771 -0.000 -0.000 -0.000 3/23625 890.0 5.390 5.390 3.729 -0.000 -0.000 -0.000 3/23625 900.0 5.330 5.330 3.687 -0.000 -0.000 -0.000 3/23625 910.0 5.271 5.271 3.647 -0.000 -0.000 -0.000 3/23625 920.0 5.213 5.213 3.607 -0.000 -0.000 -0.000 3/23625 930.0 5.156 5.156 3.568 -0.000 -0.000 -0.000 3/23625 940.0 5.101 5.101 3.530 -0.000 -0.000 -0.000 3/23625 950.0 5.047 5.047 3.493 -0.000 -0.000 -0.000 3/23625 960.0 4.994 4.994 3.456 -0.000 -0.000 -0.000 3/23625 970.0 4.942 4.942 3.420 -0.000 -0.000 -0.000 3/23625 980.0 4.892 4.892 3.386 -0.000 -0.000 -0.000 3/23625 990.0 4.842 4.842 3.351 -0.000 -0.000 -0.000 3/23625 1000.0 4.793 4.793 3.318 -0.000 -0.000 -0.000 3/23625Thermal conductivity related properties were written into "kappa-m15157.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 23:41:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|