# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/87587e19-15c1-47f4-9fae-ee55fa1bd2f5/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 Ho2SeO2 / P-3m1 (164) / materials id 13974](https://mdr.nims.go.jp/datasets/de09704b-1d00-437f-bfed-d498b88428f9) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 00:22:04]-------------------------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 3.774242341524713 0.000000000000000 0.000000000000000 b -1.887121170762357 3.268589747799265 0.000000000000000 c 0.000000000000000 0.000000000000000 6.710339150000000Atomic positions (fractional): *1 O 0.66666666666667 0.33333333333333 0.62583486335073 15.999 2 O 0.33333333333333 0.66666666666667 0.37416513664927 15.999 *3 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 *4 Ho 0.66666666666667 0.33333333333333 0.29094433602409 164.930 5 Ho 0.33333333333333 0.66666666666667 0.70905566397591 164.930-------------------------------- unit cell ---------------------------------Lattice vectors: a 3.774242341524713 0.000000000000000 0.000000000000000 b -1.887121170762357 3.268589747799265 0.000000000000000 c 0.000000000000000 0.000000000000000 6.710339150000000Atomic positions (fractional): *1 O 0.66666666666667 0.33333333333333 0.62583486335073 15.999 > 1 2 O 0.33333333333333 0.66666666666667 0.37416513664927 15.999 > 2 *3 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 > 3 *4 Ho 0.66666666666667 0.33333333333333 0.29094433602409 164.930 > 4 5 Ho 0.33333333333333 0.66666666666667 0.70905566397591 164.930 > 5-------------------------------- super cell --------------------------------Lattice vectors: a 11.322727024574139 0.000000000000000 0.000000000000000 b -5.661363512287071 9.805769243397796 0.000000000000000 c 0.000000000000000 0.000000000000000 13.420678300000001Atomic positions (fractional): *1 O 0.22222222222222 0.11111111111111 0.31291743167536 15.999 > 1 2 O 0.55555555555556 0.11111111111111 0.31291743167536 15.999 > 1 3 O 0.88888888888889 0.11111111111111 0.31291743167536 15.999 > 1 4 O 0.22222222222222 0.44444444444444 0.31291743167536 15.999 > 1 5 O 0.55555555555556 0.44444444444444 0.31291743167536 15.999 > 1 6 O 0.88888888888889 0.44444444444444 0.31291743167536 15.999 > 1 7 O 0.22222222222222 0.77777777777778 0.31291743167536 15.999 > 1 8 O 0.55555555555556 0.77777777777778 0.31291743167536 15.999 > 1 9 O 0.88888888888889 0.77777777777778 0.31291743167536 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.81291743167536 15.999 > 1 11 O 0.55555555555556 0.11111111111111 0.81291743167536 15.999 > 1 12 O 0.88888888888889 0.11111111111111 0.81291743167536 15.999 > 1 13 O 0.22222222222222 0.44444444444444 0.81291743167536 15.999 > 1 14 O 0.55555555555556 0.44444444444444 0.81291743167536 15.999 > 1 15 O 0.88888888888889 0.44444444444444 0.81291743167536 15.999 > 1 16 O 0.22222222222222 0.77777777777778 0.81291743167536 15.999 > 1 17 O 0.55555555555556 0.77777777777778 0.81291743167536 15.999 > 1 18 O 0.88888888888889 0.77777777777778 0.81291743167536 15.999 > 1 19 O 0.11111111111111 0.22222222222222 0.18708256832464 15.999 > 2 20 O 0.44444444444444 0.22222222222222 0.18708256832464 15.999 > 2 21 O 0.77777777777778 0.22222222222222 0.18708256832464 15.999 > 2 22 O 0.11111111111111 0.55555555555556 0.18708256832464 15.999 > 2 23 O 0.44444444444444 0.55555555555556 0.18708256832464 15.999 > 2 24 O 0.77777777777778 0.55555555555556 0.18708256832464 15.999 > 2 25 O 0.11111111111111 0.88888888888889 0.18708256832464 15.999 > 2 26 O 0.44444444444444 0.88888888888889 0.18708256832464 15.999 > 2 27 O 0.77777777777778 0.88888888888889 0.18708256832464 15.999 > 2 28 O 0.11111111111111 0.22222222222222 0.68708256832464 15.999 > 2 29 O 0.44444444444444 0.22222222222222 0.68708256832464 15.999 > 2 30 O 0.77777777777778 0.22222222222222 0.68708256832464 15.999 > 2 31 O 0.11111111111111 0.55555555555556 0.68708256832464 15.999 > 2 32 O 0.44444444444444 0.55555555555556 0.68708256832464 15.999 > 2 33 O 0.77777777777778 0.55555555555556 0.68708256832464 15.999 > 2 34 O 0.11111111111111 0.88888888888889 0.68708256832464 15.999 > 2 35 O 0.44444444444444 0.88888888888889 0.68708256832464 15.999 > 2 36 O 0.77777777777778 0.88888888888889 0.68708256832464 15.999 > 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 Ho 0.22222222222222 0.11111111111111 0.14547216801205 164.930 > 4 56 Ho 0.55555555555556 0.11111111111111 0.14547216801205 164.930 > 4 57 Ho 0.88888888888889 0.11111111111111 0.14547216801205 164.930 > 4 58 Ho 0.22222222222222 0.44444444444444 0.14547216801205 164.930 > 4 59 Ho 0.55555555555556 0.44444444444444 0.14547216801205 164.930 > 4 60 Ho 0.88888888888889 0.44444444444444 0.14547216801205 164.930 > 4 61 Ho 0.22222222222222 0.77777777777778 0.14547216801205 164.930 > 4 62 Ho 0.55555555555556 0.77777777777778 0.14547216801205 164.930 > 4 63 Ho 0.88888888888889 0.77777777777778 0.14547216801205 164.930 > 4 64 Ho 0.22222222222222 0.11111111111111 0.64547216801205 164.930 > 4 65 Ho 0.55555555555556 0.11111111111111 0.64547216801205 164.930 > 4 66 Ho 0.88888888888889 0.11111111111111 0.64547216801205 164.930 > 4 67 Ho 0.22222222222222 0.44444444444444 0.64547216801205 164.930 > 4 68 Ho 0.55555555555556 0.44444444444444 0.64547216801205 164.930 > 4 69 Ho 0.88888888888889 0.44444444444444 0.64547216801205 164.930 > 4 70 Ho 0.22222222222222 0.77777777777778 0.64547216801205 164.930 > 4 71 Ho 0.55555555555556 0.77777777777778 0.64547216801205 164.930 > 4 72 Ho 0.88888888888889 0.77777777777778 0.64547216801205 164.930 > 4 73 Ho 0.11111111111111 0.22222222222222 0.35452783198795 164.930 > 5 74 Ho 0.44444444444444 0.22222222222222 0.35452783198795 164.930 > 5 75 Ho 0.77777777777778 0.22222222222222 0.35452783198795 164.930 > 5 76 Ho 0.11111111111111 0.55555555555556 0.35452783198795 164.930 > 5 77 Ho 0.44444444444444 0.55555555555556 0.35452783198795 164.930 > 5 78 Ho 0.77777777777778 0.55555555555556 0.35452783198795 164.930 > 5 79 Ho 0.11111111111111 0.88888888888889 0.35452783198795 164.930 > 5 80 Ho 0.44444444444444 0.88888888888889 0.35452783198795 164.930 > 5 81 Ho 0.77777777777778 0.88888888888889 0.35452783198795 164.930 > 5 82 Ho 0.11111111111111 0.22222222222222 0.85452783198795 164.930 > 5 83 Ho 0.44444444444444 0.22222222222222 0.85452783198795 164.930 > 5 84 Ho 0.77777777777778 0.22222222222222 0.85452783198795 164.930 > 5 85 Ho 0.11111111111111 0.55555555555556 0.85452783198795 164.930 > 5 86 Ho 0.44444444444444 0.55555555555556 0.85452783198795 164.930 > 5 87 Ho 0.77777777777778 0.55555555555556 0.85452783198795 164.930 > 5 88 Ho 0.11111111111111 0.88888888888889 0.85452783198795 164.930 > 5 89 Ho 0.44444444444444 0.88888888888889 0.85452783198795 164.930 > 5 90 Ho 0.77777777777778 0.88888888888889 0.85452783198795 164.930 > 5----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.7881899 -0.0000000 0.0000000 0.0000000 5.7881899 0.0000000 0.0000000 0.0000000 5.6211917-------------------------- Born effective charges -------------------------- 1 O -2.6519333 0.0000000 0.0000000 0.0000000 -2.6519333 0.0000000 0.0000000 0.0000000 -2.9407483 2 O -2.6519333 0.0000000 0.0000000 0.0000000 -2.6519333 0.0000000 0.0000000 0.0000000 -2.9407483 3 Se -2.0712046 0.0000000 0.0000000 0.0000000 -2.0712046 0.0000000 0.0000000 0.0000000 -2.2578917 4 Ho 3.6875356 -0.0000000 0.0000000 0.0000000 3.6875356 0.0000000 0.0000000 0.0000000 4.0696942 5 Ho 3.6875356 -0.0000000 0.0000000 0.0000000 3.6875356 0.0000000 0.0000000 0.0000000 4.0696942----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 270/270Permutation basis: 2400/2400Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 224Number of blocks in projector: 224Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 102Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 66Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 56Use standard eigh solver.Tree of FC basis block matrices:- (224, 218), data: False|-- (56, 53), data: True|-- (66, 66), data: True|-- (102, 99), data: True-----Solver_atoms: 1 -- 90 / 90Time (Solver_compr_matrix_reshape): 0.083Solver_block: 80 / 80 - Time: 0.203Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.321--------------------------------- 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: 224Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 102Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 66Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 56Use standard eigh solver.Tree of FC basis block matrices:- (224, 218), data: False|-- (56, 53), data: True|-- (66, 66), data: True|-- (102, 99), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (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 00:22:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 00:22:09]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: 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 3.774242341524713 0.000000000000000 0.000000000000000 b -1.887121170762357 3.268589747799265 0.000000000000000 c 0.000000000000000 0.000000000000000 6.710339150000000Atomic positions (fractional): 1 O 0.66666666666667 0.33333333333333 0.62583486335073 15.999 2 O 0.33333333333333 0.66666666666667 0.37416513664927 15.999 3 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 4 Ho 0.66666666666667 0.33333333333333 0.29094433602409 164.930 5 Ho 0.33333333333333 0.66666666666667 0.70905566397591 164.930-------------------------------- supercell ---------------------------------Lattice vectors: a 11.322727024574139 0.000000000000000 0.000000000000000 b -5.661363512287071 9.805769243397796 0.000000000000000 c 0.000000000000000 0.000000000000000 13.420678300000001Atomic positions (fractional): 1 O 0.22222222222222 0.11111111111111 0.31291743167536 15.999 > 1 2 O 0.55555555555556 0.11111111111111 0.31291743167536 15.999 > 1 3 O 0.88888888888889 0.11111111111111 0.31291743167536 15.999 > 1 4 O 0.22222222222222 0.44444444444444 0.31291743167536 15.999 > 1 5 O 0.55555555555556 0.44444444444444 0.31291743167536 15.999 > 1 6 O 0.88888888888889 0.44444444444444 0.31291743167536 15.999 > 1 7 O 0.22222222222222 0.77777777777778 0.31291743167536 15.999 > 1 8 O 0.55555555555556 0.77777777777778 0.31291743167536 15.999 > 1 9 O 0.88888888888889 0.77777777777778 0.31291743167536 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.81291743167536 15.999 > 1 11 O 0.55555555555556 0.11111111111111 0.81291743167536 15.999 > 1 12 O 0.88888888888889 0.11111111111111 0.81291743167536 15.999 > 1 13 O 0.22222222222222 0.44444444444444 0.81291743167536 15.999 > 1 14 O 0.55555555555556 0.44444444444444 0.81291743167536 15.999 > 1 15 O 0.88888888888889 0.44444444444444 0.81291743167536 15.999 > 1 16 O 0.22222222222222 0.77777777777778 0.81291743167536 15.999 > 1 17 O 0.55555555555556 0.77777777777778 0.81291743167536 15.999 > 1 18 O 0.88888888888889 0.77777777777778 0.81291743167536 15.999 > 1 19 O 0.11111111111111 0.22222222222222 0.18708256832464 15.999 > 19 20 O 0.44444444444444 0.22222222222222 0.18708256832464 15.999 > 19 21 O 0.77777777777778 0.22222222222222 0.18708256832464 15.999 > 19 22 O 0.11111111111111 0.55555555555556 0.18708256832464 15.999 > 19 23 O 0.44444444444444 0.55555555555556 0.18708256832464 15.999 > 19 24 O 0.77777777777778 0.55555555555556 0.18708256832464 15.999 > 19 25 O 0.11111111111111 0.88888888888889 0.18708256832464 15.999 > 19 26 O 0.44444444444444 0.88888888888889 0.18708256832464 15.999 > 19 27 O 0.77777777777778 0.88888888888889 0.18708256832464 15.999 > 19 28 O 0.11111111111111 0.22222222222222 0.68708256832464 15.999 > 19 29 O 0.44444444444444 0.22222222222222 0.68708256832464 15.999 > 19 30 O 0.77777777777778 0.22222222222222 0.68708256832464 15.999 > 19 31 O 0.11111111111111 0.55555555555556 0.68708256832464 15.999 > 19 32 O 0.44444444444444 0.55555555555556 0.68708256832464 15.999 > 19 33 O 0.77777777777778 0.55555555555556 0.68708256832464 15.999 > 19 34 O 0.11111111111111 0.88888888888889 0.68708256832464 15.999 > 19 35 O 0.44444444444444 0.88888888888889 0.68708256832464 15.999 > 19 36 O 0.77777777777778 0.88888888888889 0.68708256832464 15.999 > 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 Ho 0.22222222222222 0.11111111111111 0.14547216801205 164.930 > 55 56 Ho 0.55555555555556 0.11111111111111 0.14547216801205 164.930 > 55 57 Ho 0.88888888888889 0.11111111111111 0.14547216801205 164.930 > 55 58 Ho 0.22222222222222 0.44444444444444 0.14547216801205 164.930 > 55 59 Ho 0.55555555555556 0.44444444444444 0.14547216801205 164.930 > 55 60 Ho 0.88888888888889 0.44444444444444 0.14547216801205 164.930 > 55 61 Ho 0.22222222222222 0.77777777777778 0.14547216801205 164.930 > 55 62 Ho 0.55555555555556 0.77777777777778 0.14547216801205 164.930 > 55 63 Ho 0.88888888888889 0.77777777777778 0.14547216801205 164.930 > 55 64 Ho 0.22222222222222 0.11111111111111 0.64547216801205 164.930 > 55 65 Ho 0.55555555555556 0.11111111111111 0.64547216801205 164.930 > 55 66 Ho 0.88888888888889 0.11111111111111 0.64547216801205 164.930 > 55 67 Ho 0.22222222222222 0.44444444444444 0.64547216801205 164.930 > 55 68 Ho 0.55555555555556 0.44444444444444 0.64547216801205 164.930 > 55 69 Ho 0.88888888888889 0.44444444444444 0.64547216801205 164.930 > 55 70 Ho 0.22222222222222 0.77777777777778 0.64547216801205 164.930 > 55 71 Ho 0.55555555555556 0.77777777777778 0.64547216801205 164.930 > 55 72 Ho 0.88888888888889 0.77777777777778 0.64547216801205 164.930 > 55 73 Ho 0.11111111111111 0.22222222222222 0.35452783198795 164.930 > 73 74 Ho 0.44444444444444 0.22222222222222 0.35452783198795 164.930 > 73 75 Ho 0.77777777777778 0.22222222222222 0.35452783198795 164.930 > 73 76 Ho 0.11111111111111 0.55555555555556 0.35452783198795 164.930 > 73 77 Ho 0.44444444444444 0.55555555555556 0.35452783198795 164.930 > 73 78 Ho 0.77777777777778 0.55555555555556 0.35452783198795 164.930 > 73 79 Ho 0.11111111111111 0.88888888888889 0.35452783198795 164.930 > 73 80 Ho 0.44444444444444 0.88888888888889 0.35452783198795 164.930 > 73 81 Ho 0.77777777777778 0.88888888888889 0.35452783198795 164.930 > 73 82 Ho 0.11111111111111 0.22222222222222 0.85452783198795 164.930 > 73 83 Ho 0.44444444444444 0.22222222222222 0.85452783198795 164.930 > 73 84 Ho 0.77777777777778 0.22222222222222 0.85452783198795 164.930 > 73 85 Ho 0.11111111111111 0.55555555555556 0.85452783198795 164.930 > 73 86 Ho 0.44444444444444 0.55555555555556 0.85452783198795 164.930 > 73 87 Ho 0.77777777777778 0.55555555555556 0.85452783198795 164.930 > 73 88 Ho 0.11111111111111 0.88888888888889 0.85452783198795 164.930 > 73 89 Ho 0.44444444444444 0.88888888888889 0.85452783198795 164.930 > 73 90 Ho 0.77777777777778 0.88888888888889 0.85452783198795 164.930 > 73----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.7881899 -0.0000000 0.0000000 0.0000000 5.7881899 0.0000000 0.0000000 0.0000000 5.6211917-------------------------- Born effective charges -------------------------- 1 O -2.6519333 0.0000000 0.0000000 0.0000000 -2.6519333 0.0000000 0.0000000 0.0000000 -2.9407483 2 O -2.6519333 0.0000000 0.0000000 0.0000000 -2.6519333 0.0000000 0.0000000 0.0000000 -2.9407483 3 Se -2.0712046 0.0000000 0.0000000 0.0000000 -2.0712046 0.0000000 0.0000000 0.0000000 -2.2578917 4 Ho 3.6875356 -0.0000000 0.0000000 0.0000000 3.6875356 0.0000000 0.0000000 0.0000000 4.0696942 5 Ho 3.6875356 -0.0000000 0.0000000 0.0000000 3.6875356 0.0000000 0.0000000 0.0000000 4.0696942----------------------------------------------------------------------------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 (yzy) 0.00000000 (yzy) 0.00000000 (yyz)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 00:22:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 00:22:13]-------------------------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 3.774242341524713 0.000000000000000 0.000000000000000 b -1.887121170762357 3.268589747799265 0.000000000000000 c 0.000000000000000 0.000000000000000 6.710339150000000Atomic positions (fractional): 1 O 0.66666666666667 0.33333333333333 0.62583486335073 15.999 2 O 0.33333333333333 0.66666666666667 0.37416513664927 15.999 3 Se 0.00000000000000 0.00000000000000 0.00000000000000 78.960 4 Ho 0.66666666666667 0.33333333333333 0.29094433602409 164.930 5 Ho 0.33333333333333 0.66666666666667 0.70905566397591 164.930-------------------------------- supercell ---------------------------------Lattice vectors: a 11.322727024574139 0.000000000000000 0.000000000000000 b -5.661363512287071 9.805769243397796 0.000000000000000 c 0.000000000000000 0.000000000000000 13.420678300000001Atomic positions (fractional): 1 O 0.22222222222222 0.11111111111111 0.31291743167536 15.999 > 1 2 O 0.55555555555556 0.11111111111111 0.31291743167536 15.999 > 1 3 O 0.88888888888889 0.11111111111111 0.31291743167536 15.999 > 1 4 O 0.22222222222222 0.44444444444444 0.31291743167536 15.999 > 1 5 O 0.55555555555556 0.44444444444444 0.31291743167536 15.999 > 1 6 O 0.88888888888889 0.44444444444444 0.31291743167536 15.999 > 1 7 O 0.22222222222222 0.77777777777778 0.31291743167536 15.999 > 1 8 O 0.55555555555556 0.77777777777778 0.31291743167536 15.999 > 1 9 O 0.88888888888889 0.77777777777778 0.31291743167536 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.81291743167536 15.999 > 1 11 O 0.55555555555556 0.11111111111111 0.81291743167536 15.999 > 1 12 O 0.88888888888889 0.11111111111111 0.81291743167536 15.999 > 1 13 O 0.22222222222222 0.44444444444444 0.81291743167536 15.999 > 1 14 O 0.55555555555556 0.44444444444444 0.81291743167536 15.999 > 1 15 O 0.88888888888889 0.44444444444444 0.81291743167536 15.999 > 1 16 O 0.22222222222222 0.77777777777778 0.81291743167536 15.999 > 1 17 O 0.55555555555556 0.77777777777778 0.81291743167536 15.999 > 1 18 O 0.88888888888889 0.77777777777778 0.81291743167536 15.999 > 1 19 O 0.11111111111111 0.22222222222222 0.18708256832464 15.999 > 19 20 O 0.44444444444444 0.22222222222222 0.18708256832464 15.999 > 19 21 O 0.77777777777778 0.22222222222222 0.18708256832464 15.999 > 19 22 O 0.11111111111111 0.55555555555556 0.18708256832464 15.999 > 19 23 O 0.44444444444444 0.55555555555556 0.18708256832464 15.999 > 19 24 O 0.77777777777778 0.55555555555556 0.18708256832464 15.999 > 19 25 O 0.11111111111111 0.88888888888889 0.18708256832464 15.999 > 19 26 O 0.44444444444444 0.88888888888889 0.18708256832464 15.999 > 19 27 O 0.77777777777778 0.88888888888889 0.18708256832464 15.999 > 19 28 O 0.11111111111111 0.22222222222222 0.68708256832464 15.999 > 19 29 O 0.44444444444444 0.22222222222222 0.68708256832464 15.999 > 19 30 O 0.77777777777778 0.22222222222222 0.68708256832464 15.999 > 19 31 O 0.11111111111111 0.55555555555556 0.68708256832464 15.999 > 19 32 O 0.44444444444444 0.55555555555556 0.68708256832464 15.999 > 19 33 O 0.77777777777778 0.55555555555556 0.68708256832464 15.999 > 19 34 O 0.11111111111111 0.88888888888889 0.68708256832464 15.999 > 19 35 O 0.44444444444444 0.88888888888889 0.68708256832464 15.999 > 19 36 O 0.77777777777778 0.88888888888889 0.68708256832464 15.999 > 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 Ho 0.22222222222222 0.11111111111111 0.14547216801205 164.930 > 55 56 Ho 0.55555555555556 0.11111111111111 0.14547216801205 164.930 > 55 57 Ho 0.88888888888889 0.11111111111111 0.14547216801205 164.930 > 55 58 Ho 0.22222222222222 0.44444444444444 0.14547216801205 164.930 > 55 59 Ho 0.55555555555556 0.44444444444444 0.14547216801205 164.930 > 55 60 Ho 0.88888888888889 0.44444444444444 0.14547216801205 164.930 > 55 61 Ho 0.22222222222222 0.77777777777778 0.14547216801205 164.930 > 55 62 Ho 0.55555555555556 0.77777777777778 0.14547216801205 164.930 > 55 63 Ho 0.88888888888889 0.77777777777778 0.14547216801205 164.930 > 55 64 Ho 0.22222222222222 0.11111111111111 0.64547216801205 164.930 > 55 65 Ho 0.55555555555556 0.11111111111111 0.64547216801205 164.930 > 55 66 Ho 0.88888888888889 0.11111111111111 0.64547216801205 164.930 > 55 67 Ho 0.22222222222222 0.44444444444444 0.64547216801205 164.930 > 55 68 Ho 0.55555555555556 0.44444444444444 0.64547216801205 164.930 > 55 69 Ho 0.88888888888889 0.44444444444444 0.64547216801205 164.930 > 55 70 Ho 0.22222222222222 0.77777777777778 0.64547216801205 164.930 > 55 71 Ho 0.55555555555556 0.77777777777778 0.64547216801205 164.930 > 55 72 Ho 0.88888888888889 0.77777777777778 0.64547216801205 164.930 > 55 73 Ho 0.11111111111111 0.22222222222222 0.35452783198795 164.930 > 73 74 Ho 0.44444444444444 0.22222222222222 0.35452783198795 164.930 > 73 75 Ho 0.77777777777778 0.22222222222222 0.35452783198795 164.930 > 73 76 Ho 0.11111111111111 0.55555555555556 0.35452783198795 164.930 > 73 77 Ho 0.44444444444444 0.55555555555556 0.35452783198795 164.930 > 73 78 Ho 0.77777777777778 0.55555555555556 0.35452783198795 164.930 > 73 79 Ho 0.11111111111111 0.88888888888889 0.35452783198795 164.930 > 73 80 Ho 0.44444444444444 0.88888888888889 0.35452783198795 164.930 > 73 81 Ho 0.77777777777778 0.88888888888889 0.35452783198795 164.930 > 73 82 Ho 0.11111111111111 0.22222222222222 0.85452783198795 164.930 > 73 83 Ho 0.44444444444444 0.22222222222222 0.85452783198795 164.930 > 73 84 Ho 0.77777777777778 0.22222222222222 0.85452783198795 164.930 > 73 85 Ho 0.11111111111111 0.55555555555556 0.85452783198795 164.930 > 73 86 Ho 0.44444444444444 0.55555555555556 0.85452783198795 164.930 > 73 87 Ho 0.77777777777778 0.55555555555556 0.85452783198795 164.930 > 73 88 Ho 0.11111111111111 0.88888888888889 0.85452783198795 164.930 > 73 89 Ho 0.44444444444444 0.88888888888889 0.85452783198795 164.930 > 73 90 Ho 0.77777777777778 0.88888888888889 0.85452783198795 164.930 > 73----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 5.7881899 -0.0000000 0.0000000 0.0000000 5.7881899 0.0000000 0.0000000 0.0000000 5.6211917-------------------------- Born effective charges -------------------------- 1 O -2.6519333 0.0000000 0.0000000 0.0000000 -2.6519333 0.0000000 0.0000000 0.0000000 -2.9407483 2 O -2.6519333 0.0000000 0.0000000 0.0000000 -2.6519333 0.0000000 0.0000000 0.0000000 -2.9407483 3 Se -2.0712046 0.0000000 0.0000000 0.0000000 -2.0712046 0.0000000 0.0000000 0.0000000 -2.2578917 4 Ho 3.6875356 -0.0000000 0.0000000 0.0000000 3.6875356 0.0000000 0.0000000 0.0000000 4.0696942 5 Ho 3.6875356 -0.0000000 0.0000000 0.0000000 3.6875356 0.0000000 0.0000000 0.0000000 4.0696942----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (yzy) 0.00000000 (yzy) 0.00000000 (yyz)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: 0.95, 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: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 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 3.143 ( 0.000 0.000 0.000) 0.000 3.143 ( 0.000 0.000 0.000) 0.000 4.115 ( 0.000 0.000 0.000) 0.000 4.115 ( 0.000 0.000 0.000) 0.000 5.370 ( 0.000 0.000 0.000) 0.000 5.756 ( 0.000 0.000 0.000) 0.000 10.858 ( 0.000 0.000 0.000) 0.000 10.858 ( 0.000 0.000 0.000) 0.000 12.605 ( 0.000 0.000 0.000) 0.000 13.036 ( 0.000 0.000 0.000) 0.000 13.036 ( 0.000 0.000 0.000) 0.000 13.981 ( 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: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.453 ( 19.434 11.220 -3.889) 22.775 0.633 ( 26.428 15.258 -1.763) 30.567 0.984 ( 41.423 23.916 3.050) 47.928 3.161 ( 1.468 0.848 1.650) 2.365 3.250 ( 8.808 5.085 -1.542) 10.287 4.126 ( 0.991 0.572 -0.696) 1.340 4.682 ( 0.781 0.451 0.571) 1.068 5.351 ( -1.582 -0.913 1.057) 2.110 5.719 ( -3.009 -1.737 0.047) 3.475 10.830 ( -2.473 -1.428 1.498) 3.225 12.223 ( -21.807 -12.590 -6.490) 26.003 13.026 ( -0.801 -0.463 -1.290) 1.588 13.367 ( 16.159 9.329 31.780) 36.852 13.785 ( -12.168 -7.025 -13.816) 19.705 14.807 ( 10.958 6.326 -10.838) 16.660======================= Grid point 2 (3/165) =======================q-point: ( 0.13 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.918 ( 20.079 11.593 -3.731) 23.483 1.235 ( 24.581 14.192 -1.445) 28.421 1.942 ( 39.720 22.933 2.805) 45.951 3.208 ( 2.433 1.405 3.462) 4.459 3.533 ( 14.475 8.357 -3.570) 17.092 4.163 ( 2.194 1.266 -1.509) 2.948 4.696 ( 0.108 0.063 2.190) 2.193 5.299 ( -2.788 -1.610 2.119) 3.854 5.627 ( -4.342 -2.507 0.239) 5.019 10.736 ( -5.683 -3.281 2.477) 7.014 11.721 ( -20.046 -11.574 -2.982) 23.339 13.008 ( -0.513 -0.296 -2.152) 2.232 13.306 ( -17.195 -9.928 30.947) 36.769 13.855 ( 14.223 8.211 -13.242) 21.097 15.071 ( 10.687 6.170 -13.752) 18.478======================= Grid point 3 (4/165) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.395 ( 20.286 11.712 -3.930) 23.752 1.784 ( 21.912 12.651 -1.217) 25.331 2.841 ( 36.205 20.903 1.450) 41.831 3.269 ( 2.638 1.523 5.425) 6.221 3.891 ( 14.914 8.610 -7.019) 18.596 4.230 ( 3.485 2.012 -2.339) 4.654 4.678 ( -1.456 -0.841 7.736) 7.917 5.228 ( -2.996 -1.729 2.456) 4.242 5.536 ( -3.062 -1.768 0.275) 3.547 10.557 ( -9.485 -5.476 2.610) 11.259 11.300 ( -15.438 -8.913 -0.062) 17.826 12.861 ( -19.678 -11.361 16.186) 27.898 13.012 ( 1.076 0.621 -2.299) 2.613 14.161 ( 11.070 6.391 -0.886) 12.813 15.296 ( 8.318 4.803 -14.391) 17.302======================= Grid point 4 (5/165) =======================q-point: ( 0.27 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.864 ( 19.316 11.152 -4.666) 22.788 2.264 ( 18.841 10.878 -1.551) 21.811 3.327 ( 2.156 1.245 7.225) 7.642 3.612 ( 27.560 15.912 -4.295) 32.112 4.170 ( 7.747 4.473 -8.471) 12.320 4.324 ( 4.343 2.507 -2.860) 5.772 4.679 ( 3.344 1.931 18.183) 18.589 5.173 ( -1.238 -0.715 1.161) 1.841 5.490 ( -0.868 -0.501 -0.310) 1.049 10.295 ( -12.457 -7.192 2.053) 14.529 11.001 ( -9.923 -5.729 1.797) 11.598 12.394 ( -19.792 -11.427 9.781) 24.859 13.060 ( 2.949 1.703 -1.846) 3.873 14.373 ( 7.125 4.113 2.713) 8.662 15.461 ( 5.729 3.307 -13.907) 15.400======================= Grid point 5 (6/165) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.292 ( 16.692 9.637 -5.649) 20.085 2.671 ( 15.697 9.063 -2.814) 18.343 3.367 ( 1.157 0.668 8.318) 8.425 3.927 ( -2.002 -1.156 -12.727) 12.936 4.427 ( 4.243 2.450 -2.772) 5.629 4.436 ( 17.525 10.118 5.026) 20.851 4.824 ( 6.445 3.721 15.675) 17.352 5.200 ( 4.312 2.490 1.552) 5.216 5.486 ( 0.399 0.230 -2.018) 2.070 9.991 ( -12.838 -7.412 1.295) 14.880 10.834 ( -4.161 -2.403 2.652) 5.488 11.937 ( -18.865 -10.892 5.303) 22.420 13.143 ( 3.808 2.198 -1.196) 4.556 14.503 ( 4.074 2.352 3.984) 6.165 15.569 ( 3.514 2.029 -12.026) 12.692======================= Grid point 6 (7/165) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.635 ( 12.095 6.983 -5.880) 15.153 3.005 ( 12.687 7.325 -4.633) 15.364 3.379 ( -0.119 -0.069 7.819) 7.820 3.768 ( -8.821 -5.093 -2.901) 10.590 4.515 ( 3.073 1.774 -2.013) 4.080 4.787 ( 9.643 5.567 2.265) 11.363 4.933 ( 3.864 2.231 6.637) 7.998 5.363 ( 7.721 4.458 7.521) 11.664 5.509 ( 1.748 1.009 -5.490) 5.850 9.718 ( -9.745 -5.626 0.671) 11.273 10.806 ( 1.794 1.036 2.692) 3.396 11.516 ( -16.672 -9.625 1.937) 19.348 13.227 ( 3.122 1.802 -0.632) 3.659 14.573 ( 1.970 1.137 3.416) 4.104 15.631 ( 1.839 1.061 -8.316) 8.583======================= Grid point 7 (8/165) =======================q-point: ( 0.47 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.840 ( 4.791 2.766 -3.069) 6.326 3.266 ( 8.985 5.187 -4.782) 11.423 3.368 ( -0.549 -0.317 3.769) 3.822 3.560 ( -7.994 -4.616 2.609) 9.593 4.566 ( 1.119 0.646 -0.737) 1.487 4.887 ( 1.078 0.623 1.306) 1.804 5.027 ( 2.640 1.524 0.942) 3.191 5.473 ( 1.607 0.928 3.859) 4.282 5.579 ( 2.914 1.682 -2.706) 4.318 9.556 ( -3.650 -2.107 0.206) 4.219 10.919 ( 7.722 4.458 1.990) 9.136 11.164 ( -12.912 -7.455 -0.475) 14.917 13.280 ( 1.195 0.690 -0.194) 1.393 14.602 ( 0.568 0.328 1.338) 1.490 15.659 ( 0.566 0.327 -2.987) 3.058======================= Grid point 16 (9/165) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.796 ( 11.741 20.337 0.000) 23.483 1.082 ( 14.592 25.275 0.000) 29.185 1.685 ( 23.096 40.003 0.000) 46.192 3.200 ( 1.658 2.872 0.000) 3.316 3.437 ( 7.326 12.688 0.000) 14.651 4.154 ( 1.300 2.252 0.000) 2.601 4.693 ( 0.172 0.298 0.000) 0.344 5.315 ( -1.489 -2.578 0.000) 2.977 5.654 ( -2.452 -4.247 0.000) 4.904 10.773 ( -2.519 -4.364 0.000) 5.039 11.859 ( -11.942 -20.685 0.000) 23.885 12.913 ( -4.063 -7.037 0.000) 8.126 13.540 ( -7.659 -13.267 0.000) 15.319 13.734 ( 10.855 18.802 0.000) 21.711 14.988 ( 5.810 10.063 0.000) 11.620======================= Grid point 17 (10/165) =======================q-point: ( 0.13 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.239 ( 15.122 18.856 -1.999) 24.254 1.601 ( 17.167 20.259 -0.735) 26.565 2.522 ( 28.773 32.116 1.179) 43.136 3.269 ( 1.649 4.338 2.791) 5.416 3.738 ( 11.964 10.925 -3.168) 16.509 4.223 ( 2.462 4.936 -1.290) 5.665 4.682 ( -0.798 -1.750 2.827) 3.419 5.251 ( -2.334 -2.907 1.360) 3.969 5.563 ( -2.866 -3.394 0.166) 4.445 10.644 ( -6.328 -5.874 1.438) 8.753 11.444 ( -13.512 -14.753 -0.596) 20.015 12.742 ( -2.211 -17.945 4.113) 18.542 13.271 ( -12.090 -0.654 5.186) 13.171 14.095 ( 9.393 14.722 -1.284) 17.510 15.188 ( 7.702 4.932 -8.171) 12.264======================= Grid point 18 (11/165) =======================q-point: ( 0.20 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.701 ( 15.836 17.636 -3.138) 23.910 2.087 ( 16.513 16.328 -1.014) 23.245 3.316 ( 22.887 21.531 0.187) 31.423 3.343 ( 5.303 8.474 4.323) 10.891 4.033 ( 10.891 4.919 -6.326) 13.521 4.341 ( 2.227 8.773 -4.657) 10.179 4.645 ( 0.632 -2.192 12.217) 12.428 5.184 ( -1.817 -2.433 1.370) 3.331 5.499 ( -1.354 -1.688 0.009) 2.164 10.428 ( -10.381 -7.341 1.707) 12.828 11.103 ( -10.443 -10.032 0.871) 14.507 12.444 ( -7.849 -22.038 7.151) 24.462 13.144 ( -5.486 5.569 0.053) 7.817 14.357 ( 4.766 12.289 2.414) 13.400 15.354 ( 7.727 0.742 -11.567) 13.931======================= Grid point 19 (12/165) =======================q-point: ( 0.27 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.144 ( 14.680 15.756 -4.344) 21.968 2.513 ( 14.663 13.087 -1.718) 19.729 3.388 ( -0.430 4.150 6.976) 8.129 3.902 ( 10.322 10.695 -11.962) 19.080 4.243 ( 12.310 5.833 2.027) 13.772 4.432 ( 0.833 6.305 -3.565) 7.291 4.740 ( 7.716 4.308 17.141) 19.285 5.158 ( 1.466 -0.635 0.433) 1.655 5.478 ( 0.161 -0.792 -0.982) 1.272 10.141 ( -12.637 -8.043 1.275) 15.033 10.877 ( -5.654 -6.259 2.062) 8.683 12.049 ( -11.861 -19.877 5.638) 23.824 13.160 ( -0.317 6.339 -1.153) 6.451 14.519 ( 1.106 9.572 4.464) 10.620 15.476 ( 6.779 -1.761 -12.092) 13.974======================= Grid point 20 (13/165) =======================q-point: ( 0.33 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.527 ( 11.642 12.853 -5.437) 18.174 2.870 ( 12.286 10.188 -2.860) 16.215 3.404 ( -1.405 2.015 7.024) 7.441 3.903 ( -8.379 0.524 -6.854) 10.838 4.485 ( 4.080 3.605 -2.285) 5.905 4.659 ( 13.082 10.437 3.127) 17.025 4.891 ( 3.990 2.794 10.159) 11.266 5.254 ( 8.071 2.569 4.149) 9.431 5.484 ( 1.323 -0.566 -3.388) 3.681 9.843 ( -11.504 -7.174 0.732) 13.577 10.778 ( -0.045 -3.120 2.549) 4.029 11.641 ( -12.690 -16.926 2.931) 21.357 13.237 ( 1.013 6.532 -0.951) 6.678 14.600 ( -0.926 6.617 4.586) 8.104 15.559 ( 5.297 -2.765 -10.001) 11.650======================= Grid point 21 (14/165) =======================q-point: ( 0.40 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.802 ( 6.399 8.993 -5.044) 12.135 3.149 ( 9.486 6.233 -2.749) 11.679 3.380 ( -1.804 -0.646 4.085) 4.512 3.743 ( -11.023 4.087 0.762) 11.781 4.566 ( 1.308 3.307 -1.503) 3.861 4.873 ( 2.801 3.059 2.008) 4.608 4.981 ( 4.327 2.218 2.586) 5.508 5.418 ( 5.824 0.749 7.664) 9.654 5.524 ( 3.858 0.330 -5.720) 6.908 9.616 ( -6.785 -4.449 0.321) 8.119 10.813 ( 6.110 -0.461 2.312) 6.548 11.271 ( -11.136 -13.544 0.471) 17.541 13.312 ( -0.353 6.260 -0.501) 6.290 14.631 ( -1.574 4.175 2.857) 5.298 15.608 ( 3.627 -3.098 -5.645) 7.391======================= Grid point 22 (15/165) =======================q-point: ( 0.47 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.911 ( -2.264 3.922 0.000) 4.529 3.294 ( 2.252 -3.900 -0.000) 4.504 3.344 ( -0.643 1.114 -0.000) 1.286 3.649 ( -6.615 11.458 0.000) 13.230 4.595 ( -1.286 2.228 0.000) 2.573 4.902 ( -0.500 0.866 0.000) 1.000 5.037 ( 0.298 -0.516 0.000) 0.596 5.463 ( 1.087 -1.882 0.000) 2.173 5.578 ( 1.057 -1.831 -0.000) 2.115 9.531 ( 0.241 -0.417 -0.000) 0.481 10.968 ( 2.913 -5.045 -0.000) 5.826 10.999 ( 1.694 -2.934 0.000) 3.387 13.342 ( -2.959 5.125 0.000) 5.918 14.637 ( -1.799 3.115 -0.000) 3.597 15.624 ( 2.095 -3.628 0.000) 4.190======================= Grid point 33 (16/165) =======================q-point: ( 0.13 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.654 ( 12.268 21.249 0.000) 24.536 2.024 ( 11.911 20.631 0.000) 23.823 3.198 ( 19.140 33.151 0.000) 38.280 3.367 ( 2.723 4.716 0.000) 5.446 3.951 ( 5.508 9.539 0.000) 11.015 4.374 ( 5.618 9.730 0.000) 11.236 4.623 ( -2.144 -3.713 0.000) 4.288 5.187 ( -1.803 -3.123 0.000) 3.606 5.503 ( -1.365 -2.364 0.000) 2.729 10.487 ( -5.582 -9.669 0.000) 11.165 11.148 ( -7.880 -13.649 0.000) 15.761 12.377 ( -10.279 -17.803 0.000) 20.558 13.237 ( -0.950 -1.646 0.000) 1.901 14.396 ( 7.900 13.684 0.000) 15.801 15.271 ( 1.923 3.330 0.000) 3.845======================= Grid point 34 (17/165) =======================q-point: ( 0.20 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.085 ( 12.644 19.345 -1.600) 23.166 2.428 ( 12.074 16.812 -0.572) 20.706 3.440 ( 0.242 4.133 3.006) 5.116 3.827 ( 16.493 23.631 -3.981) 29.092 4.125 ( 6.803 4.961 -0.361) 8.428 4.516 ( -3.005 4.896 -8.205) 10.016 4.639 ( 8.759 4.846 13.435) 16.754 5.136 ( -0.557 -1.976 0.186) 2.061 5.469 ( -0.453 -1.310 -0.287) 1.416 10.250 ( -9.496 -10.182 0.517) 13.933 10.905 ( -6.210 -9.107 0.777) 11.050 12.011 ( -9.221 -20.313 2.365) 22.433 13.233 ( -0.503 3.972 -0.412) 4.025 14.625 ( 2.156 13.120 3.388) 13.721 15.332 ( 4.875 -2.542 -6.511) 8.522======================= Grid point 35 (18/165) =======================q-point: ( 0.27 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.479 ( 10.908 16.266 -3.258) 19.854 2.787 ( 10.799 13.708 -1.044) 17.482 3.453 ( -1.813 1.107 4.055) 4.578 4.064 ( -4.970 7.885 -8.593) 12.677 4.402 ( 11.847 6.859 1.601) 13.782 4.588 ( 6.319 10.016 1.021) 11.886 4.843 ( 5.901 5.107 9.386) 12.207 5.154 ( 4.393 0.425 0.880) 4.500 5.456 ( 0.512 -1.394 -1.611) 2.191 9.962 ( -11.012 -9.510 0.399) 14.556 10.752 ( -2.301 -5.836 1.632) 6.482 11.640 ( -9.466 -19.595 2.266) 21.879 13.297 ( 0.970 7.171 -0.879) 7.289 14.736 ( -3.374 11.100 5.875) 13.004 15.398 ( 7.276 -5.593 -9.340) 13.094======================= Grid point 36 (19/165) =======================q-point: ( 0.33 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.790 ( 7.572 12.306 -4.972) 15.281 3.078 ( 7.820 10.034 0.093) 12.722 3.408 ( -2.367 -1.821 2.466) 3.873 4.004 ( -10.067 9.655 -1.317) 14.011 4.572 ( 3.549 4.878 -2.106) 6.390 4.841 ( 6.725 7.054 1.629) 9.881 4.938 ( 2.492 1.916 4.575) 5.551 5.293 ( 8.493 1.020 6.054) 10.480 5.463 ( 2.245 -1.510 -4.393) 5.159 9.696 ( -8.648 -7.205 0.191) 11.258 10.709 ( 2.981 -3.545 1.982) 5.038 11.288 ( -8.899 -16.872 0.918) 19.097 13.395 ( 0.353 8.751 -0.815) 8.796 14.750 ( -5.153 7.576 4.916) 10.397 15.468 ( 6.919 -5.871 -7.336) 11.668======================= Grid point 37 (20/165) =======================q-point: ( 0.40 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.985 ( 1.752 8.583 -4.087) 9.666 3.226 ( 1.904 0.372 4.324) 4.739 3.372 ( -0.370 1.369 -2.103) 2.536 3.937 ( -10.350 13.727 0.907) 17.216 4.650 ( -0.433 4.785 -0.956) 4.898 4.923 ( -0.151 1.997 0.945) 2.214 5.009 ( 2.577 0.278 0.690) 2.682 5.398 ( 3.719 -2.356 3.779) 5.802 5.509 ( 4.019 -2.119 -2.734) 5.303 9.535 ( -2.850 -3.446 0.055) 4.472 10.784 ( 8.666 -2.463 1.573) 9.146 10.998 ( -6.385 -12.373 -0.526) 13.933 13.468 ( -2.615 8.563 -0.339) 8.960 14.731 ( -4.015 5.523 1.836) 7.071 15.513 ( 4.865 -6.049 -2.670) 8.209======================= Grid point 49 (21/165) =======================q-point: ( 0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.466 ( 10.077 17.454 0.000) 20.154 2.764 ( 9.179 15.899 0.000) 18.358 3.476 ( -0.461 -0.799 0.000) 0.922 4.228 ( 3.301 5.718 0.000) 6.602 4.248 ( 8.613 14.918 0.000) 17.226 4.595 ( 4.108 7.115 0.000) 8.215 4.809 ( 4.824 8.355 0.000) 9.648 5.117 ( 0.326 0.565 0.000) 0.652 5.443 ( -0.708 -1.226 0.000) 1.415 10.015 ( -7.265 -12.584 0.000) 14.530 10.742 ( -3.784 -6.554 0.000) 7.568 11.617 ( -10.579 -18.323 0.000) 21.157 13.328 ( 3.205 5.552 0.000) 6.411 14.860 ( 5.212 9.028 0.000) 10.424 15.269 ( -1.656 -2.869 0.000) 3.313======================= Grid point 50 (22/165) =======================q-point: ( 0.27 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.781 ( 7.866 13.000 -2.045) 15.331 3.067 ( 7.649 13.439 0.492) 15.471 3.422 ( -2.399 -3.586 0.723) 4.375 4.271 ( -6.448 11.655 -1.739) 13.433 4.508 ( 9.385 4.662 -0.570) 10.495 4.802 ( 6.529 9.310 1.020) 11.416 4.927 ( 1.935 2.918 2.633) 4.381 5.179 ( 5.044 1.969 1.850) 5.722 5.421 ( 0.208 -1.989 -1.518) 2.511 9.758 ( -7.931 -10.228 0.028) 12.943 10.646 ( -0.599 -4.257 0.811) 4.375 11.266 ( -8.691 -16.886 0.463) 18.997 13.457 ( 2.957 8.391 -0.444) 8.908 14.950 ( -6.109 9.487 5.800) 12.687 15.261 ( 7.366 -7.449 -6.709) 12.440======================= Grid point 51 (23/165) =======================q-point: ( 0.33 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.008 ( 5.290 8.814 -4.558) 11.245 3.250 ( -1.147 4.564 7.503) 8.856 3.373 ( 1.814 1.005 -4.277) 4.753 4.262 ( -9.165 14.482 0.459) 17.144 4.684 ( 3.948 6.099 -1.979) 7.530 4.941 ( 1.599 2.856 0.884) 3.390 4.966 ( 1.644 0.558 1.362) 2.207 5.292 ( 5.643 -0.878 4.899) 7.524 5.418 ( 2.562 -3.022 -3.585) 5.343 9.554 ( -4.762 -6.474 -0.005) 8.037 10.640 ( 4.107 -2.959 1.142) 5.190 10.974 ( -6.326 -13.520 -0.110) 14.927 13.583 ( 0.461 9.241 -0.481) 9.264 14.894 ( -7.462 6.297 3.837) 10.491 15.334 ( 7.702 -6.948 -4.440) 11.283======================= Grid point 52 (24/165) =======================q-point: ( 0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.134 ( -2.917 5.053 0.000) 5.835 3.198 ( 0.576 -0.998 -0.000) 1.153 3.427 ( -1.677 2.904 0.000) 3.354 4.253 ( -9.356 16.206 0.000) 18.713 4.754 ( -2.938 5.089 0.000) 5.876 4.959 ( -0.870 1.507 0.000) 1.740 4.988 ( 1.383 -2.396 -0.000) 2.767 5.335 ( 2.013 -3.487 0.000) 4.027 5.434 ( 2.894 -5.013 -0.000) 5.789 9.476 ( 1.317 -2.281 -0.000) 2.634 10.701 ( 3.353 -5.807 -0.000) 6.706 10.808 ( 3.133 -5.427 0.000) 6.266 13.638 ( -4.325 7.491 0.000) 8.650 14.855 ( -3.862 6.688 -0.000) 7.723 15.368 ( 4.601 -7.969 -0.000) 9.202======================= Grid point 66 (25/165) =======================q-point: ( 0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.003 ( 5.058 8.761 0.000) 10.116 3.316 ( 5.914 10.244 0.000) 11.828 3.334 ( -2.513 -4.353 0.000) 5.026 4.476 ( 3.913 6.778 0.000) 7.826 4.634 ( 4.920 8.522 0.000) 9.840 4.930 ( 1.718 2.975 0.000) 3.435 4.967 ( 0.714 1.237 0.000) 1.428 5.228 ( 1.531 2.652 0.000) 3.063 5.377 ( -1.294 -2.242 0.000) 2.588 9.564 ( -4.728 -8.189 0.000) 9.456 10.588 ( -0.729 -1.263 0.000) 1.458 10.959 ( -7.476 -12.949 0.000) 14.953 13.627 ( 4.524 7.836 0.000) 9.048 15.110 ( -2.118 -3.668 0.000) 4.236 15.113 ( 1.734 3.004 0.000) 3.469======================= Grid point 67 (26/165) =======================q-point: ( 0.33 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.146 ( 3.623 4.728 -2.338) 6.399 3.244 ( -3.790 -1.980 2.970) 5.206 3.468 ( 1.709 4.987 -0.844) 5.339 4.554 ( -5.731 13.284 0.431) 14.474 4.813 ( 4.984 5.849 -1.589) 7.847 4.933 ( -0.615 -3.373 1.007) 3.573 4.982 ( -0.179 0.966 0.122) 0.990 5.273 ( 2.025 -0.662 2.135) 3.016 5.336 ( 1.092 -4.818 -1.800) 5.258 9.445 ( -1.355 -3.948 -0.007) 4.174 10.600 ( 2.968 -0.660 0.328) 3.058 10.748 ( -3.462 -8.583 -0.183) 9.257 13.750 ( 0.271 6.423 -0.102) 6.430 15.004 ( -6.103 4.578 1.485) 7.772 15.198 ( 5.975 -6.071 -1.528) 8.654======================= Grid point 82 (27/165) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.208 ( -0.918 -1.590 0.000) 1.836 3.208 ( 0.918 1.590 0.000) 1.836 3.522 ( -0.000 -0.000 0.000) 0.000 4.781 ( -4.277 -7.408 0.000) 8.553 4.781 ( 4.277 7.408 0.000) 8.553 4.919 ( -0.000 -0.000 0.000) 0.000 4.992 ( -0.000 -0.000 0.000) 0.000 5.267 ( -0.054 -0.093 0.000) 0.107 5.267 ( 0.054 0.093 0.000) 0.107 9.403 ( -0.000 -0.000 0.000) 0.000 10.626 ( -1.716 -2.972 0.000) 3.432 10.626 ( 1.716 2.972 0.000) 3.432 13.819 ( -0.000 -0.000 0.000) 0.000 15.092 ( -2.207 -3.823 0.000) 4.414 15.092 ( 2.207 3.823 0.000) 4.414======================= Grid point 241 (28/165) =======================q-point: ( 0.00 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.643 ( 0.000 0.000 29.562) 29.562 0.643 ( 0.000 0.000 29.562) 29.562 1.042 ( 0.000 -0.000 48.333) 48.333 3.050 ( 0.000 -0.000 -8.446) 8.446 3.050 ( 0.000 0.000 -8.446) 8.446 4.134 ( 0.000 -0.000 1.604) 1.604 4.134 ( 0.000 0.000 1.604) 1.604 5.471 ( -0.000 -0.000 -23.030) 23.030 6.735 ( 0.000 0.000 10.578) 10.578 10.903 ( 0.000 0.000 4.009) 4.009 10.903 ( 0.000 0.000 4.009) 4.009 13.004 ( 0.000 -0.000 -2.940) 2.940 13.004 ( 0.000 0.000 -2.940) 2.940 13.979 ( -0.000 0.000 -0.192) 0.192 16.518 ( 0.000 0.000 1.265) 1.265======================= Grid point 242 (29/165) =======================q-point: ( 0.07 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.735 ( 9.700 5.600 23.265) 25.820 0.783 ( 14.372 8.298 20.760) 26.578 1.504 ( 29.825 17.219 34.161) 48.508 3.102 ( 3.121 1.802 -6.984) 7.859 3.128 ( 7.458 4.306 -9.726) 12.991 4.132 ( 0.313 0.181 1.177) 1.232 4.357 ( 13.085 7.555 -8.021) 17.106 5.393 ( -5.964 -3.444 -18.527) 19.766 6.149 ( -25.187 -14.542 28.086) 40.431 10.900 ( -1.734 -1.001 4.689) 5.099 11.519 ( 21.177 12.226 -25.701) 35.475 12.971 ( -1.486 -0.858 -3.583) 3.973 13.027 ( 4.227 2.440 -9.349) 10.546 14.088 ( 7.767 4.484 2.595) 9.337 15.718 ( -40.683 -23.488 40.005) 61.703======================= Grid point 243 (30/165) =======================q-point: ( 0.13 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.045 ( 15.630 9.024 14.086) 22.895 1.245 ( 22.256 12.849 6.456) 26.497 2.255 ( 32.447 18.733 21.593) 43.243 3.194 ( 4.577 2.642 -4.854) 7.176 3.373 ( 12.743 7.357 -10.545) 18.103 4.150 ( 1.215 0.701 0.375) 1.452 4.623 ( 9.290 5.364 -4.440) 11.610 5.252 ( -4.764 -2.750 -11.380) 12.640 5.767 ( -10.355 -5.978 12.561) 17.342 10.814 ( -5.755 -3.323 4.383) 7.960 11.591 ( -8.599 -4.964 -7.397) 12.381 12.945 ( -0.505 -0.292 -3.413) 3.462 13.094 ( -3.330 -1.923 -21.601) 21.940 14.285 ( 8.318 4.802 18.163) 20.546 15.111 ( -11.125 -6.423 19.310) 23.193======================= Grid point 244 (31/165) =======================q-point: ( 0.20 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.438 ( 17.252 9.960 7.523) 21.294 1.764 ( 21.101 12.183 1.241) 24.397 2.974 ( 27.214 15.712 7.249) 32.249 3.312 ( 5.225 3.017 -1.833) 6.306 3.707 ( 15.535 8.969 -7.234) 19.342 4.191 ( 2.322 1.341 -0.954) 2.846 4.812 ( 7.447 4.300 4.524) 9.717 5.188 ( -1.045 -0.603 -7.118) 7.219 5.574 ( -6.661 -3.846 3.560) 8.476 10.625 ( -10.172 -5.873 3.351) 12.215 11.319 ( -12.445 -7.185 1.370) 14.436 12.839 ( -16.330 -9.428 -14.769) 23.952 12.957 ( 1.671 0.965 -2.549) 3.196 14.469 ( 7.184 4.148 23.922) 25.320 15.058 ( 3.254 1.879 -5.990) 7.071======================= Grid point 245 (32/165) =======================q-point: ( 0.27 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.840 ( 16.552 9.556 2.318) 19.253 2.221 ( 17.481 10.093 -1.649) 20.253 3.431 ( 4.712 2.721 1.976) 5.789 3.462 ( 13.454 7.768 -10.352) 18.669 4.124 ( 19.907 11.493 4.568) 23.436 4.259 ( 3.415 1.972 -2.695) 4.776 5.007 ( 9.311 5.376 11.372) 15.650 5.168 ( -1.308 -0.755 -2.020) 2.522 5.456 ( -3.079 -1.778 -2.049) 4.103 10.345 ( -13.210 -7.627 2.315) 15.428 11.053 ( -9.642 -5.567 2.620) 11.437 12.404 ( -19.561 -11.293 -8.433) 24.110 13.022 ( 3.698 2.135 -1.526) 4.534 14.615 ( 5.025 2.901 18.729) 19.607 15.167 ( 5.180 2.991 -12.591) 13.940======================= Grid point 246 (33/165) =======================q-point: ( 0.33 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.205 ( 14.237 8.220 -2.243) 16.592 2.586 ( 13.701 7.910 -4.649) 16.489 3.524 ( 2.929 1.691 5.764) 6.683 3.646 ( 3.416 1.972 -11.987) 12.619 4.348 ( 4.013 2.317 -4.213) 6.262 4.585 ( 17.664 10.198 8.278) 22.012 5.089 ( -3.114 -1.798 4.805) 6.002 5.267 ( 9.729 5.617 5.131) 12.351 5.434 ( 1.447 0.836 -0.711) 1.816 10.026 ( -13.302 -7.680 1.794) 15.465 10.880 ( -4.834 -2.791 1.272) 5.724 11.943 ( -19.322 -11.156 -4.625) 22.786 13.120 ( 4.402 2.542 -0.765) 5.141 14.701 ( 2.201 1.271 13.578) 13.814 15.290 ( 5.239 3.025 -12.881) 14.231======================= Grid point 247 (34/165) =======================q-point: ( 0.40 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.501 ( 10.739 6.200 -5.957) 13.757 2.879 ( 11.493 6.635 -7.086) 15.044 3.560 ( 0.044 0.025 8.371) 8.371 3.660 ( -1.930 -1.114 -5.125) 5.589 4.441 ( 3.671 2.120 -4.725) 6.348 4.908 ( 8.762 5.059 7.506) 12.598 5.019 ( -1.849 -1.068 1.132) 2.417 5.385 ( 1.208 0.698 -5.655) 5.824 5.580 ( 8.815 5.089 11.507) 15.363 9.746 ( -9.979 -5.761 1.733) 11.652 10.831 ( 0.724 0.418 -0.765) 1.133 11.507 ( -17.398 -10.045 -2.273) 20.217 13.217 ( 3.531 2.039 -0.306) 4.089 14.721 ( -0.317 -0.183 9.560) 9.567 15.416 ( 5.465 3.155 -10.691) 12.415======================= Grid point 248 (35/165) =======================q-point: ( 0.47 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.704 ( 6.296 3.635 -8.072) 10.863 3.145 ( 11.357 6.557 -8.198) 15.465 3.521 ( -3.387 -1.955 9.012) 9.824 3.560 ( -6.431 -3.713 0.508) 7.443 4.513 ( 2.297 1.326 -4.075) 4.862 4.937 ( -2.146 -1.239 1.179) 2.744 5.063 ( 1.580 0.912 2.846) 3.381 5.398 ( -0.028 -0.016 -4.239) 4.240 5.734 ( 3.478 2.008 10.489) 11.232 9.578 ( -3.895 -2.249 1.744) 4.823 10.908 ( 5.194 2.998 -3.939) 7.175 11.143 ( -12.667 -7.313 -0.194) 14.628 13.278 ( 1.508 0.871 -0.016) 1.742 14.694 ( -1.818 -1.050 6.649) 6.973 15.544 ( 5.297 3.058 -7.147) 9.407======================= Grid point 249 (36/165) =======================q-point: (-0.47 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.787 ( 0.436 0.252 -7.026) 7.044 3.338 ( -7.613 -4.395 -7.202) 11.364 3.409 ( -5.752 -3.321 6.689) 9.427 3.445 ( 9.554 5.516 2.081) 11.226 4.543 ( 0.219 0.127 -2.742) 2.753 4.877 ( -3.091 -1.784 -1.680) 3.945 5.026 ( -4.763 -2.750 1.178) 5.625 5.370 ( -2.563 -1.480 -1.937) 3.537 5.735 ( -3.095 -1.787 8.673) 9.381 9.571 ( 3.233 1.866 1.486) 4.018 10.851 ( -7.682 -4.435 -4.419) 9.911 11.141 ( 10.146 5.858 -1.955) 11.878 13.285 ( -0.883 -0.510 0.228) 1.045 14.643 ( -2.355 -1.360 4.832) 5.544 15.658 ( 4.258 2.458 -2.951) 5.734======================= Grid point 250 (37/165) =======================q-point: (-0.40 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.703 ( -7.918 -4.571 -0.755) 9.174 3.059 ( -13.847 -7.995 -0.541) 15.999 3.280 ( -4.588 -2.649 -0.167) 5.300 3.740 ( 13.089 7.557 -4.092) 15.658 4.523 ( -1.928 -1.113 -1.276) 2.566 4.770 ( -8.038 -4.641 -7.195) 11.743 4.833 ( -10.373 -5.989 4.804) 12.905 5.279 ( -4.782 -2.761 -0.291) 5.530 5.623 ( -5.445 -3.144 5.448) 8.320 9.721 ( 9.142 5.278 0.892) 10.594 10.736 ( -1.582 -0.913 -3.460) 3.912 11.426 ( 13.354 7.710 -5.873) 16.500 13.240 ( -2.752 -1.589 0.488) 3.215 14.586 ( -2.456 -1.418 4.215) 5.080 15.737 ( 2.245 1.296 1.291) 2.896======================= Grid point 251 (38/165) =======================q-point: (-0.33 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.425 ( -15.021 -8.672 5.998) 18.353 2.700 ( -16.547 -9.553 0.025) 19.106 3.199 ( -2.564 -1.480 -6.568) 7.204 4.017 ( 7.788 4.497 -8.060) 12.076 4.396 ( -18.639 -10.761 0.640) 21.532 4.457 ( -3.484 -2.012 0.009) 4.023 4.631 ( -9.649 -5.571 2.032) 11.325 5.176 ( -3.251 -1.877 -0.378) 3.773 5.511 ( -3.670 -2.119 0.740) 4.301 9.978 ( 12.168 7.025 0.168) 14.051 10.782 ( 5.499 3.175 -1.951) 6.642 11.752 ( 14.071 8.124 -10.566) 19.382 13.165 ( -3.404 -1.965 0.741) 3.999 14.526 ( -2.780 -1.605 5.080) 6.010 15.758 ( -0.536 -0.309 5.108) 5.145======================= Grid point 252 (39/165) =======================q-point: (-0.27 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.028 ( -18.124 -10.464 10.086) 23.231 2.280 ( -19.200 -11.085 0.468) 22.176 3.147 ( -2.020 -1.166 -9.174) 9.466 3.684 ( -28.413 -16.404 1.222) 32.831 4.277 ( -8.272 -4.776 -15.062) 17.835 4.366 ( -4.042 -2.334 0.981) 4.769 4.420 ( 1.390 0.803 11.482) 11.594 5.134 ( -0.721 -0.416 -2.259) 2.407 5.467 ( 0.387 0.223 -1.973) 2.023 10.269 ( 12.023 6.942 -0.288) 13.886 10.994 ( 12.335 7.121 1.354) 14.307 12.076 ( 13.248 7.649 -17.044) 22.902 13.091 ( -2.702 -1.560 0.820) 3.226 14.450 ( -3.790 -2.188 7.566) 8.740 15.710 ( -3.497 -2.019 8.521) 9.429======================= Grid point 253 (40/165) =======================q-point: (-0.20 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.593 ( -18.371 -10.607 13.771) 25.291 1.795 ( -21.982 -12.691 1.115) 25.407 2.955 ( -32.401 -18.707 10.377) 38.826 3.101 ( -1.876 -1.083 -9.955) 10.188 3.916 ( -17.514 -10.111 -5.808) 21.041 4.275 ( -3.594 -2.075 1.580) 4.440 4.542 ( 3.493 2.017 -2.795) 4.907 5.131 ( 0.974 0.563 -6.534) 6.630 5.544 ( 6.011 3.470 1.260) 7.054 10.527 ( 9.686 5.592 -0.041) 11.185 11.348 ( 16.987 9.808 4.862) 20.209 12.366 ( 11.196 6.464 -24.303) 27.528 13.043 ( -1.298 -0.749 0.456) 1.566 14.344 ( -5.130 -2.962 10.985) 12.481 15.603 ( -5.095 -2.941 12.854) 14.136======================= Grid point 254 (41/165) =======================q-point: (-0.13 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.178 ( -16.565 -9.564 18.506) 26.615 1.253 ( -23.501 -13.568 4.012) 27.431 2.187 ( -32.297 -18.647 21.370) 42.982 3.061 ( -1.420 -0.820 -9.937) 10.071 3.511 ( -16.080 -9.284 -5.792) 19.450 4.202 ( -2.535 -1.464 1.823) 3.448 4.525 ( -5.027 -2.902 -8.341) 10.162 5.216 ( 6.326 3.652 -10.849) 13.079 5.740 ( 10.942 6.317 11.129) 16.837 10.720 ( 6.643 3.835 1.047) 7.742 11.712 ( 10.441 6.028 -2.186) 12.253 12.603 ( 9.444 5.452 -23.636) 26.030 13.026 ( -0.301 -0.174 -0.482) 0.594 14.217 ( -5.459 -3.152 11.346) 12.979 15.524 ( 0.662 0.382 23.010) 23.023======================= Grid point 255 (42/165) =======================q-point: (-0.07 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.751 ( -16.107 -9.300 17.315) 25.412 0.831 ( -12.297 -7.100 24.879) 28.646 1.467 ( -27.679 -15.981 34.802) 47.251 3.039 ( -0.324 -0.187 -9.414) 9.421 3.193 ( -10.344 -5.972 -7.150) 13.921 4.156 ( -1.403 -0.810 1.805) 2.425 4.324 ( -11.174 -6.452 -9.036) 15.753 5.388 ( 6.697 3.867 -18.451) 20.006 6.140 ( 26.050 15.040 28.168) 41.210 10.843 ( 3.859 2.228 2.609) 5.164 11.586 ( -25.502 -14.724 -25.009) 38.634 12.851 ( 10.855 6.267 -6.254) 14.008 13.021 ( -0.364 -0.210 -1.762) 1.812 14.081 ( -6.373 -3.679 2.738) 7.852 15.827 ( 29.404 16.976 36.547) 49.884======================= Grid point 257 (43/165) =======================q-point: ( 0.07 0.07 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.018 ( 4.794 18.977 17.126) 26.007 1.107 ( 12.558 21.732 8.488) 26.496 2.015 ( 20.749 30.450 24.824) 44.429 3.102 ( 5.689 0.781 -8.743) 10.460 3.363 ( 3.488 15.383 -7.148) 17.317 4.164 ( -0.676 2.531 0.890) 2.767 4.526 ( 7.828 7.238 -7.667) 13.132 5.272 ( -2.811 -7.141 -12.579) 14.735 5.827 ( -6.600 -13.430 15.965) 21.882 10.805 ( 0.392 -6.717 2.837) 7.302 11.696 ( -6.848 -1.085 -10.590) 12.658 12.763 ( 4.238 -15.207 -11.675) 19.634 13.095 ( 5.499 1.580 -9.888) 11.424 14.207 ( 5.995 6.107 11.103) 14.018 15.381 ( -19.089 -4.443 28.170) 34.317======================= Grid point 258 (44/165) =======================q-point: ( 0.13 0.07 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.349 ( 10.054 19.025 11.322) 24.315 1.588 ( 16.456 19.673 2.086) 25.733 2.713 ( 24.202 25.075 13.229) 37.276 3.233 ( 7.010 2.109 -5.937) 9.425 3.621 ( 7.700 15.273 -6.850) 18.425 4.191 ( 0.434 3.102 -0.904) 3.260 4.711 ( 7.699 2.693 0.616) 8.179 5.186 ( -0.738 -2.998 -8.605) 9.142 5.625 ( -5.195 -7.296 5.508) 10.514 10.693 ( -4.901 -7.950 2.774) 9.743 11.446 ( -11.609 -9.913 0.759) 15.284 12.649 ( 3.100 -21.115 -11.118) 24.064 13.129 ( -3.626 1.858 -10.597) 11.353 14.404 ( 8.124 6.907 18.202) 21.096 15.155 ( -9.469 7.750 6.812) 14.004======================= Grid point 259 (45/165) =======================q-point: ( 0.20 0.07 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.736 ( 11.627 18.198 6.047) 22.426 2.057 ( 15.589 15.946 -0.628) 22.309 3.303 ( 16.051 14.520 -4.699) 22.148 3.384 ( 6.680 5.665 -0.239) 8.762 3.951 ( 13.381 14.192 0.854) 19.524 4.243 ( 1.741 3.514 -3.274) 5.108 4.881 ( 9.416 2.578 8.725) 13.094 5.167 ( 0.065 -1.463 -3.795) 4.068 5.486 ( -3.603 -4.209 -0.464) 5.560 10.472 ( -10.070 -8.908 2.099) 13.608 11.150 ( -9.866 -9.417 3.095) 13.985 12.415 ( -4.091 -23.430 -9.022) 25.438 13.086 ( -3.729 5.635 -4.469) 8.101 14.604 ( 5.002 8.378 17.772) 20.275 15.143 ( -0.612 4.930 -6.788) 8.412======================= Grid point 260 (46/165) =======================q-point: ( 0.27 0.07 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.113 ( 10.671 16.445 1.470) 19.659 2.454 ( 12.883 12.592 -3.217) 18.300 3.483 ( 3.974 1.910 -0.188) 4.413 3.634 ( 4.560 9.608 -10.180) 14.722 4.299 ( 5.730 3.384 -1.311) 6.782 4.404 ( 14.921 13.439 5.241) 20.754 5.086 ( 5.756 0.987 12.643) 13.927 5.152 ( 4.092 0.831 -0.401) 4.195 5.422 ( -0.480 -1.454 -3.626) 3.936 10.174 ( -12.622 -9.088 1.554) 15.631 10.926 ( -5.833 -6.784 2.183) 9.210 12.051 ( -10.845 -20.302 -5.352) 23.631 13.124 ( 0.615 6.361 -1.901) 6.668 14.736 ( 0.088 8.213 14.933) 17.042 15.210 ( 4.668 0.668 -11.895) 12.796======================= Grid point 261 (47/165) =======================q-point: ( 0.33 0.07 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.435 ( 8.184 13.461 -2.707) 15.984 2.775 ( 10.320 10.741 -5.684) 15.943 3.536 ( 1.392 -0.986 3.553) 3.942 3.734 ( -2.054 7.221 -5.798) 9.486 4.405 ( 3.811 3.368 -4.715) 6.936 4.786 ( 12.472 8.977 7.536) 17.115 5.045 ( -2.597 -2.237 2.949) 4.522 5.348 ( 5.467 2.160 -1.530) 6.074 5.455 ( 7.446 1.181 6.691) 10.080 9.868 ( -11.429 -7.782 1.457) 13.903 10.813 ( -0.711 -3.704 0.442) 3.798 11.644 ( -13.216 -16.742 -2.433) 21.468 13.215 ( 1.784 6.381 -0.917) 6.689 14.776 ( -3.137 5.401 10.922) 12.582 15.317 ( 7.136 -0.320 -11.494) 13.533======================= Grid point 262 (48/165) =======================q-point: ( 0.40 0.07 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.670 ( 5.084 9.629 -6.112) 12.487 3.050 ( 8.937 10.215 -6.505) 15.051 3.510 ( -1.355 -4.093 5.800) 7.227 3.720 ( -7.242 6.369 -0.103) 9.644 4.499 ( 2.441 3.690 -4.580) 6.368 4.964 ( -1.051 0.356 3.838) 3.995 5.023 ( 3.912 1.500 2.350) 4.804 5.384 ( 0.882 -0.736 -5.084) 5.212 5.643 ( 8.394 0.970 10.649) 13.594 9.638 ( -6.744 -4.799 1.588) 8.428 10.826 ( 4.739 -1.021 -1.626) 5.113 11.263 ( -12.133 -13.023 -0.612) 17.809 13.300 ( 0.299 6.047 -0.469) 6.073 14.749 ( -4.011 2.389 7.394) 8.744 15.446 ( 7.434 -0.088 -8.631) 11.392======================= Grid point 263 (49/165) =======================q-point: ( 0.47 0.07 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.808 ( 1.089 6.238 -7.464) 9.789 3.282 ( 5.409 3.819 -5.427) 8.562 3.423 ( -1.573 -2.089 7.027) 7.498 3.619 ( -10.986 6.809 0.963) 12.961 4.558 ( 0.100 3.064 -3.393) 4.573 4.919 ( -2.848 -0.502 -0.305) 2.908 5.056 ( -1.109 -1.581 1.772) 2.620 5.378 ( -0.446 -1.907 -2.765) 3.388 5.725 ( 1.714 -2.781 9.036) 9.609 9.549 ( 0.064 -0.660 1.571) 1.705 10.896 ( -1.507 -5.998 -5.838) 8.504 11.027 ( 2.930 -1.838 2.056) 4.024 13.340 ( -2.389 5.025 -0.181) 5.567 14.695 ( -3.806 1.009 4.953) 6.328 15.570 ( 6.694 -0.600 -4.833) 8.278======================= Grid point 265 (50/165) =======================q-point: (-0.47 0.07 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.818 ( -5.915 2.621 -4.191) 7.709 3.166 ( -8.384 -8.453 -0.637) 11.922 3.411 ( -8.121 1.046 5.678) 9.964 3.655 ( 6.133 13.126 -5.326) 15.436 4.559 ( -2.447 1.115 -2.058) 3.386 4.850 ( -4.638 -0.820 -3.511) 5.874 4.949 ( -7.728 -4.531 1.572) 9.095 5.319 ( -3.202 -3.434 -0.633) 4.738 5.662 ( -3.346 -5.004 6.802) 9.083 9.626 ( 6.779 3.484 1.211) 7.717 10.749 ( -3.094 -5.007 -3.389) 6.792 11.232 ( 13.943 2.771 -2.906) 14.509 13.318 ( -4.782 3.437 0.082) 5.890 14.641 ( -3.601 1.263 3.491) 5.172 15.663 ( 5.285 -2.165 -0.657) 5.748======================= Grid point 266 (51/165) =======================q-point: (-0.40 0.07 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.634 ( -14.697 -2.326 3.463) 15.277 2.887 ( -13.812 -7.753 -1.245) 15.888 3.290 ( -6.607 2.736 -2.594) 7.607 3.921 ( 9.205 9.569 -5.387) 14.329 4.481 ( -5.842 -4.798 -2.742) 8.041 4.650 ( -15.532 -4.986 -1.235) 16.359 4.762 ( -8.087 -0.741 2.489) 8.493 5.213 ( -3.884 -3.453 0.281) 5.204 5.546 ( -3.615 -4.143 2.715) 6.132 9.841 ( 11.247 6.339 0.582) 12.923 10.720 ( 3.123 -0.490 -2.555) 4.065 11.531 ( 16.322 2.697 -6.613) 17.816 13.250 ( -5.799 2.100 0.206) 6.171 14.592 ( -4.052 2.229 3.328) 5.697 15.706 ( 3.256 -4.508 3.278) 6.455======================= Grid point 267 (52/165) =======================q-point: (-0.33 0.07 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.284 ( -19.581 -5.238 8.162) 21.851 2.524 ( -18.432 -7.162 -0.315) 19.777 3.225 ( -4.998 3.580 -7.659) 9.822 3.989 ( -17.855 -8.497 -7.268) 21.067 4.261 ( 1.617 -0.900 -0.560) 1.934 4.406 ( -9.794 -4.156 -0.916) 10.679 4.599 ( -10.466 3.513 6.048) 12.588 5.142 ( -1.120 -1.366 -0.800) 1.940 5.468 ( -1.312 -1.960 -1.406) 2.746 10.126 ( 12.517 7.184 -0.020) 14.432 10.850 ( 9.828 3.485 -0.209) 10.430 11.850 ( 16.800 1.865 -11.504) 20.447 13.170 ( -5.225 1.935 -0.156) 5.574 14.537 ( -5.358 2.853 4.944) 7.829 15.682 ( 0.788 -7.234 6.514) 9.767======================= Grid point 268 (53/165) =======================q-point: (-0.27 0.07 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.861 ( -21.229 -6.031 11.241) 24.767 2.093 ( -22.300 -6.889 0.336) 23.342 3.176 ( -4.881 3.593 -9.450) 11.227 3.387 ( -32.048 -11.289 4.047) 34.218 4.110 ( -15.210 -9.208 -3.050) 18.040 4.300 ( -1.202 -2.088 -4.727) 5.305 4.561 ( -1.064 8.261 5.326) 9.887 5.130 ( -0.027 0.198 -3.656) 3.661 5.478 ( 3.629 0.818 -1.475) 4.001 10.408 ( 11.125 6.318 -0.077) 12.794 11.129 ( 15.912 5.619 3.529) 17.240 12.157 ( 15.913 1.609 -17.093) 23.409 13.115 ( -3.690 3.127 -1.692) 5.125 14.454 ( -7.264 2.645 8.441) 11.446 15.587 ( -1.425 -10.027 9.313) 13.758======================= Grid point 269 (54/165) =======================q-point: (-0.20 0.07 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.427 ( -20.643 -5.997 14.474) 25.915 1.601 ( -25.694 -5.615 1.474) 26.341 2.685 ( -35.934 -6.407 13.757) 39.007 3.132 ( -4.595 3.886 -9.286) 11.066 3.723 ( -17.467 -8.071 -5.092) 19.904 4.229 ( -2.992 -2.291 -0.192) 3.774 4.609 ( -3.005 4.354 -2.420) 5.818 5.157 ( 2.867 1.726 -8.290) 8.940 5.607 ( 8.611 2.350 4.319) 9.916 10.639 ( 8.407 4.866 0.887) 9.754 11.486 ( 17.710 2.508 3.763) 18.279 12.451 ( 13.999 5.041 -19.423) 24.467 13.102 ( -2.599 4.637 -5.336) 7.532 14.336 ( -8.554 2.027 12.601) 15.364 15.443 ( -0.773 -12.674 14.051) 18.939======================= Grid point 274 (55/165) =======================q-point: ( 0.13 0.13 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.768 ( 8.452 21.317 10.114) 25.063 2.010 ( 10.921 20.915 -0.252) 23.596 3.229 ( 11.234 18.800 -3.518) 22.181 3.302 ( 10.714 10.736 -1.012) 15.201 3.958 ( 4.340 16.996 -0.079) 17.542 4.263 ( 0.230 3.509 -5.117) 6.209 4.729 ( 8.989 -0.410 6.439) 11.065 5.145 ( 0.557 -1.262 -4.433) 4.643 5.493 ( -2.530 -5.090 -0.491) 5.705 10.499 ( -4.214 -11.014 0.872) 11.825 11.194 ( -7.837 -14.011 4.165) 16.585 12.230 ( -2.793 -18.969 -12.321) 22.791 13.158 ( 0.609 1.554 -5.293) 5.550 14.543 ( 9.436 6.100 10.249) 15.208 15.330 ( -10.713 8.279 5.514) 14.619======================= Grid point 275 (56/165) =======================q-point: ( 0.20 0.13 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.137 ( 8.705 20.225 6.290) 22.900 2.396 ( 10.694 16.887 -2.069) 20.095 3.416 ( 5.779 1.995 -5.988) 8.558 3.681 ( 6.014 17.954 -7.416) 20.335 4.225 ( 7.489 8.761 6.587) 13.275 4.348 ( 6.191 9.377 -4.607) 12.144 4.925 ( 11.778 1.906 11.650) 16.676 5.131 ( -0.396 -1.777 -0.905) 2.033 5.422 ( -1.450 -1.864 -3.742) 4.425 10.266 ( -8.927 -11.220 0.723) 14.356 10.945 ( -5.932 -10.275 2.802) 12.191 11.962 ( -4.946 -20.486 -6.570) 22.075 13.190 ( -0.134 5.114 -3.069) 5.966 14.766 ( 7.761 6.546 8.011) 12.933 15.236 ( -7.037 4.125 -1.486) 8.291======================= Grid point 276 (57/165) =======================q-point: ( 0.27 0.13 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.467 ( 6.590 17.107 2.352) 18.483 2.732 ( 9.379 14.667 -3.829) 17.825 3.494 ( 2.313 -0.778 -1.250) 2.742 3.873 ( -1.420 13.760 -7.398) 15.687 4.361 ( 5.121 2.875 -4.085) 7.154 4.671 ( 12.088 11.858 6.479) 18.130 5.053 ( -0.349 -2.377 5.745) 6.227 5.210 ( 11.320 3.286 5.821) 13.146 5.395 ( 0.015 -1.207 -3.550) 3.750 9.977 ( -10.694 -10.160 0.781) 14.771 10.784 ( -2.163 -6.800 1.290) 7.252 11.641 ( -8.084 -19.205 -2.228) 20.955 13.266 ( 1.202 7.641 -1.733) 7.926 14.915 ( -1.213 8.538 9.902) 13.131 15.192 ( 2.447 -2.231 -8.990) 9.581======================= Grid point 277 (58/165) =======================q-point: ( 0.33 0.13 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.710 ( 3.806 12.555 -2.086) 13.284 3.031 ( 7.751 14.189 -3.668) 16.579 3.488 ( -0.436 -3.378 3.228) 4.693 3.934 ( -6.271 12.019 -3.199) 13.929 4.487 ( 4.334 4.631 -5.218) 8.213 4.935 ( 7.236 5.328 5.738) 10.662 5.007 ( -1.822 -1.271 1.826) 2.876 5.360 ( 0.883 -0.693 -4.884) 5.012 5.470 ( 10.942 -0.111 9.375) 14.409 9.711 ( -8.365 -7.565 1.080) 11.330 10.733 ( 2.599 -3.996 0.058) 4.767 11.302 ( -9.341 -16.181 0.326) 18.686 13.372 ( 0.742 8.805 -1.144) 8.910 14.892 ( -7.575 5.343 7.466) 11.902 15.284 ( 9.117 -2.711 -8.911) 13.033======================= Grid point 278 (59/165) =======================q-point: ( 0.40 0.13 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.866 ( 1.542 9.185 -5.340) 10.736 3.277 ( 3.823 10.565 -1.030) 11.282 3.421 ( -1.468 -3.888 5.461) 6.862 3.903 ( -10.387 11.499 -1.957) 15.619 4.592 ( 1.361 5.420 -4.136) 6.952 4.963 ( -2.328 -0.003 0.525) 2.387 5.037 ( 1.743 -0.597 2.657) 3.233 5.354 ( 0.506 -2.153 -3.125) 3.828 5.618 ( 6.635 -3.335 8.177) 11.046 9.551 ( -2.724 -3.663 1.339) 4.757 10.785 ( 6.130 -3.220 -1.941) 7.191 11.011 ( -6.266 -10.795 2.079) 12.654 13.453 ( -2.001 8.520 -0.865) 8.794 14.804 ( -6.413 2.834 4.410) 8.283 15.416 ( 8.534 -2.805 -5.850) 10.720======================= Grid point 279 (60/165) =======================q-point: (-0.53 0.13 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.947 ( -2.416 7.227 -6.019) 9.710 3.226 ( -7.199 -5.537 2.772) 9.496 3.478 ( 1.231 3.456 6.936) 7.847 3.848 ( -8.683 15.034 -5.762) 18.293 4.631 ( -2.672 3.638 -2.532) 5.175 4.917 ( -3.175 0.276 -2.054) 3.792 5.004 ( -3.031 -3.184 1.005) 4.510 5.322 ( -1.270 -3.351 -0.572) 3.629 5.630 ( 0.646 -6.153 6.486) 8.963 9.549 ( 4.277 0.606 1.299) 4.511 10.739 ( -2.856 -7.529 -2.496) 8.431 11.015 ( 11.146 -0.514 1.015) 11.204 13.465 ( -5.478 6.584 -0.551) 8.583 14.736 ( -4.599 3.216 2.159) 6.013 15.518 ( 7.012 -4.524 -2.206) 8.632======================= Grid point 280 (61/165) =======================q-point: (-0.47 0.13 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.881 ( -12.486 2.801 1.524) 12.886 3.020 ( -8.918 -5.333 -2.962) 10.805 3.437 ( -5.944 1.292 4.636) 7.648 3.946 ( 0.828 14.796 -6.096) 16.024 4.555 ( -6.924 -2.871 -3.451) 8.252 4.829 ( -8.386 -1.826 -3.648) 9.326 4.890 ( -5.980 0.736 3.704) 7.073 5.241 ( -3.471 -3.756 1.143) 5.240 5.546 ( -2.066 -5.924 3.659) 7.263 9.704 ( 10.172 3.848 0.923) 10.915 10.663 ( 1.166 -3.118 -2.016) 3.892 11.259 ( 15.608 0.264 -1.848) 15.719 13.400 ( -7.455 3.868 -0.332) 8.405 14.704 ( -4.118 5.191 0.641) 6.657 15.567 ( 5.259 -7.241 1.640) 9.099======================= Grid point 281 (62/165) =======================q-point: (-0.40 0.13 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.591 ( -18.798 -2.402 6.805) 20.135 2.769 ( -15.263 -3.457 -2.688) 15.879 3.364 ( -5.184 3.989 -3.518) 7.427 4.101 ( 0.277 6.894 -8.328) 10.815 4.313 ( -11.206 -9.363 -3.546) 15.027 4.603 ( -13.961 -0.716 3.346) 14.375 4.808 ( -7.710 5.210 4.812) 10.476 5.150 ( -2.295 -2.458 0.674) 3.430 5.465 ( -1.315 -3.557 -0.444) 3.818 9.963 ( 13.212 4.949 0.364) 14.113 10.723 ( 6.915 0.877 -0.807) 7.016 11.555 ( 17.258 0.450 -5.277) 18.052 13.298 ( -6.945 1.870 -0.719) 7.228 14.685 ( -5.412 6.806 0.901) 8.742 15.553 ( 3.242 -10.193 4.675) 11.673======================= Grid point 282 (63/165) =======================q-point: (-0.33 0.13 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.199 ( -21.747 -3.432 8.641) 23.651 2.420 ( -20.068 -3.111 -1.017) 20.333 3.321 ( -5.466 5.185 -7.590) 10.694 3.799 ( -24.141 -8.066 -6.310) 26.223 4.237 ( -3.492 -2.317 5.926) 7.258 4.348 ( -10.740 -0.794 -7.686) 13.231 4.736 ( -7.466 8.790 9.596) 15.003 5.125 ( 0.622 -0.195 -0.947) 1.150 5.436 ( 1.101 -1.108 -2.950) 3.338 10.247 ( 13.309 3.910 0.095) 13.872 10.917 ( 12.528 2.657 2.010) 12.964 11.875 ( 17.613 2.024 -9.415) 20.074 13.208 ( -4.558 0.931 -2.215) 5.152 14.640 ( -7.777 6.809 3.973) 11.074 15.473 ( 0.821 -12.507 5.946) 13.873======================= Grid point 290 (64/165) =======================q-point: ( 0.20 0.20 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.531 ( 6.631 17.932 5.884) 20.004 2.733 ( 8.315 15.801 -2.502) 18.029 3.438 ( 3.879 0.448 -3.435) 5.200 4.056 ( -0.217 18.185 -10.738) 21.120 4.280 ( 5.012 -0.507 -1.496) 5.255 4.610 ( 9.139 12.817 4.353) 16.332 4.954 ( 9.643 0.581 9.354) 13.447 5.123 ( 1.207 1.683 0.716) 2.192 5.409 ( -1.857 0.408 -3.066) 3.608 10.020 ( -6.964 -12.686 0.303) 14.475 10.751 ( -2.784 -8.134 0.906) 8.645 11.581 ( -7.037 -17.033 -3.311) 18.724 13.308 ( 2.695 6.591 -1.609) 7.300 14.851 ( 10.799 1.785 -0.281) 10.949 15.315 ( -11.674 3.636 3.510) 12.721======================= Grid point 291 (65/165) =======================q-point: ( 0.27 0.20 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.779 ( 3.387 13.297 1.476) 13.800 3.040 ( 8.673 14.372 -1.655) 16.867 3.464 ( 0.015 -1.528 1.971) 2.494 4.179 ( -5.090 15.698 -6.043) 17.575 4.416 ( 8.500 2.522 -5.919) 10.661 4.864 ( 7.301 6.603 3.954) 10.609 5.017 ( 0.159 -0.926 4.028) 4.136 5.265 ( 10.008 1.918 5.680) 11.666 5.375 ( -1.770 -0.624 -2.426) 3.068 9.766 ( -7.740 -10.253 0.631) 12.862 10.661 ( 0.220 -5.004 0.529) 5.036 11.281 ( -7.565 -15.945 0.731) 17.664 13.437 ( 2.570 8.932 -1.250) 9.378 15.045 ( 7.835 2.241 -0.468) 8.163 15.147 ( -8.331 -0.160 -0.321) 8.339======================= Grid point 292 (66/165) =======================q-point: ( 0.33 0.20 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.935 ( 1.493 9.712 -2.130) 10.054 3.313 ( 7.064 10.656 0.869) 12.815 3.418 ( -3.216 -1.601 5.397) 6.484 4.208 ( -8.726 14.351 -4.267) 17.329 4.594 ( 5.918 5.837 -5.724) 10.093 4.977 ( 1.454 -1.055 -0.208) 1.808 5.012 ( 0.151 1.277 4.382) 4.567 5.334 ( -0.966 -1.525 -2.484) 3.071 5.440 ( 9.062 -2.893 6.588) 11.571 9.565 ( -4.579 -6.491 1.000) 8.006 10.658 ( 4.007 -3.047 0.444) 5.054 11.004 ( -6.609 -12.712 2.656) 14.572 13.563 ( 0.472 9.476 -1.212) 9.565 14.977 ( -9.521 2.818 3.150) 10.417 15.220 ( 9.792 -3.280 -5.358) 11.634======================= Grid point 293 (67/165) =======================q-point: ( 0.40 0.20 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.040 ( 0.301 7.748 -4.374) 8.902 3.302 ( -5.822 -4.292 5.476) 9.072 3.496 ( 1.996 6.913 5.636) 9.140 4.181 ( -10.523 15.144 -5.541) 19.255 4.714 ( -0.338 6.132 -3.348) 6.995 4.950 ( -0.988 -2.753 -3.315) 4.421 5.009 ( -1.058 -0.792 3.001) 3.279 5.304 ( -0.391 -2.404 -0.126) 2.439 5.516 ( 4.771 -6.298 5.153) 9.433 9.490 ( 1.375 -2.340 1.181) 2.960 10.692 ( 0.828 -5.258 -0.642) 5.362 10.852 ( 3.639 -4.759 3.663) 7.022 13.625 ( -3.810 7.630 -1.096) 8.598 14.868 ( -6.196 3.680 1.023) 7.279 15.334 ( 7.852 -5.245 -3.037) 9.919======================= Grid point 295 (68/165) =======================q-point: (-0.53 0.20 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.091 ( -2.898 4.501 -6.657) 8.542 3.119 ( -10.505 -2.488 5.571) 12.149 3.516 ( -3.137 0.196 8.389) 8.959 4.177 ( -7.441 15.917 -6.754) 18.824 4.661 ( -7.951 -2.513 -3.791) 9.160 4.910 ( -1.944 -0.646 -3.571) 4.117 4.976 ( -2.629 1.377 2.904) 4.153 5.261 ( -2.156 -1.926 2.137) 3.595 5.493 ( 0.850 -6.787 3.266) 7.580 9.566 ( 7.864 0.795 1.052) 7.974 10.620 ( -0.493 -3.715 -0.487) 3.779 11.001 ( 13.046 -0.711 1.962) 13.212 13.579 ( -7.791 4.041 -0.764) 8.810 14.836 ( -3.700 6.677 -1.387) 7.758 15.386 ( 5.864 -8.201 0.327) 10.087======================= Grid point 296 (69/165) =======================q-point: (-0.47 0.20 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.860 ( -14.226 -4.029 4.651) 15.500 3.005 ( -12.492 2.545 -4.045) 13.375 3.455 ( -2.451 0.420 3.175) 4.033 4.228 ( -3.922 12.082 -6.252) 14.158 4.415 ( -11.470 -10.161 -6.446) 16.624 4.820 ( -9.167 1.117 1.864) 9.421 4.958 ( -2.967 4.626 4.100) 6.857 5.189 ( -4.334 -0.473 2.854) 5.211 5.436 ( -0.044 -4.518 0.046) 4.518 9.765 ( 12.569 1.697 0.650) 12.700 10.631 ( 3.871 0.031 -0.436) 3.896 11.261 ( 16.311 0.384 -0.190) 16.316 13.452 ( -8.795 0.906 -0.805) 8.878 14.853 ( -4.135 9.163 -2.784) 10.431 15.375 ( 4.188 -11.173 3.458) 12.423======================= Grid point 307 (70/165) =======================q-point: ( 0.27 0.27 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.015 ( 0.748 9.862 0.424) 9.900 3.234 ( 8.383 2.915 -0.941) 8.925 3.485 ( -0.811 4.760 7.753) 9.134 4.432 ( 6.445 4.235 -3.559) 8.493 4.523 ( 1.323 12.367 -8.870) 15.276 4.931 ( 2.575 0.218 -0.054) 2.585 5.013 ( 1.401 0.216 3.319) 3.609 5.283 ( 5.571 -0.016 4.411) 7.106 5.376 ( -4.430 0.628 -0.033) 4.474 9.574 ( -4.690 -8.032 0.893) 9.344 10.594 ( 0.530 -1.256 0.690) 1.528 10.994 ( -6.857 -12.149 2.798) 14.229 13.615 ( 4.003 8.040 -1.026) 9.040 15.004 ( 8.936 -3.304 -4.668) 10.609 15.195 ( -10.297 2.284 2.628) 10.869======================= Grid point 308 (71/165) =======================q-point: ( 0.33 0.27 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.109 ( 0.318 7.239 -0.952) 7.309 3.304 ( 0.650 -4.098 2.921) 5.075 3.553 ( 0.521 6.941 7.803) 10.456 4.497 ( -7.253 13.254 -5.087) 15.942 4.718 ( 7.524 5.813 -6.354) 11.436 4.919 ( -1.214 -4.790 -2.250) 5.429 5.027 ( -0.295 0.568 3.153) 3.217 5.307 ( -2.531 -1.066 0.642) 2.821 5.360 ( 5.421 -4.378 3.900) 7.985 9.457 ( -1.308 -3.894 1.074) 4.246 10.622 ( 2.885 -0.154 1.700) 3.352 10.789 ( -3.475 -8.321 3.729) 9.758 13.734 ( 0.216 6.539 -1.286) 6.667 15.016 ( -5.881 1.644 -0.640) 6.140 15.154 ( 5.818 -3.320 -2.181) 7.045======================= Grid point 309 (72/165) =======================q-point: (-0.60 0.27 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.156 ( -2.682 1.296 -1.867) 3.516 3.240 ( -2.497 0.617 3.543) 4.378 3.579 ( -3.161 1.129 8.607) 9.238 4.479 ( -9.158 12.558 -5.940) 16.639 4.770 ( -7.926 -5.337 -5.027) 10.797 4.882 ( 4.761 1.052 -3.542) 6.027 5.020 ( -1.116 0.995 2.884) 3.248 5.279 ( -0.569 0.728 2.507) 2.672 5.385 ( 3.453 -5.759 2.484) 7.160 9.457 ( 4.060 -0.831 1.089) 4.285 10.612 ( -2.051 -1.858 1.534) 3.164 10.793 ( 8.961 -1.458 3.658) 9.788 13.737 ( -5.384 2.862 -1.193) 6.213 14.965 ( -3.510 5.911 -1.918) 7.137 15.207 ( 5.322 -6.882 -0.776) 8.734======================= Grid point 323 (73/165) =======================q-point: ( 0.33 0.33 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 270Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.223 ( -1.634 -3.268 1.364) 3.900 3.223 ( 1.634 3.268 1.364) 3.900 3.622 ( -0.000 -0.000 8.937) 8.937 4.723 ( -3.805 -7.610 -4.855) 9.796 4.723 ( 3.805 7.610 -4.855) 9.796 4.849 ( -0.000 -0.000 -5.468) 5.468 5.035 ( -0.000 -0.000 2.858) 2.858 5.299 ( -0.610 -1.221 2.524) 2.869 5.299 ( 0.610 1.221 2.524) 2.869 9.416 ( -0.000 -0.000 1.104) 1.104 10.662 ( -1.880 -3.760 3.215) 5.292 10.662 ( 1.880 3.759 3.215) 5.292 13.804 ( -0.000 -0.000 -1.374) 1.374 15.074 ( -2.069 -4.137 -1.535) 4.874 15.074 ( 2.069 4.137 -1.535) 4.874======================= Grid point 482 (74/165) =======================q-point: ( 0.00 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.244 ( 0.000 0.000 26.498) 26.498 1.244 ( -0.000 -0.000 26.498) 26.498 2.041 ( -0.000 0.000 44.870) 44.870 2.803 ( 0.000 -0.000 -14.186) 14.186 2.803 ( 0.000 0.000 -14.186) 14.186 4.171 ( 0.000 -0.000 1.585) 1.585 4.171 ( 0.000 0.000 1.585) 1.585 4.881 ( 0.000 0.000 -31.032) 31.032 6.940 ( 0.000 -0.000 7.849) 7.849 11.010 ( 0.000 -0.000 5.405) 5.405 11.010 ( 0.000 0.000 5.405) 5.405 12.924 ( 0.000 -0.000 -4.074) 4.074 12.924 ( 0.000 0.000 -4.074) 4.074 13.974 ( -0.000 0.000 -0.230) 0.230 16.550 ( -0.000 0.000 1.564) 1.564======================= Grid point 483 (75/165) =======================q-point: ( 0.07 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.263 ( 4.130 2.385 24.747) 25.202 1.330 ( 5.730 3.308 27.113) 27.908 2.251 ( 15.525 8.963 32.486) 37.104 2.880 ( 4.444 2.566 -13.408) 14.357 2.880 ( 8.658 4.999 -10.905) 14.794 4.166 ( 0.078 0.045 1.711) 1.713 4.294 ( 9.359 5.404 -0.399) 10.815 4.873 ( -0.453 -0.262 -28.337) 28.342 6.559 ( -25.019 -14.445 12.353) 31.420 11.006 ( -2.243 -1.295 4.620) 5.296 11.274 ( 16.036 9.258 -2.199) 18.647 12.877 ( -4.521 -2.610 -6.264) 8.154 12.891 ( -1.131 -0.653 -3.450) 3.689 14.105 ( 10.580 6.109 0.062) 12.217 16.204 ( -25.148 -14.519 11.823) 31.352======================= Grid point 484 (76/165) =======================q-point: ( 0.13 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.426 ( 9.284 5.360 19.927) 22.628 1.553 ( 13.021 7.518 20.969) 25.803 2.635 ( 15.040 8.684 5.703) 18.280 3.011 ( 6.642 3.835 -11.899) 14.157 3.216 ( 19.611 11.323 3.175) 22.867 4.174 ( 0.644 0.372 1.669) 1.827 4.566 ( 12.809 7.395 -1.499) 14.866 4.878 ( 1.326 0.766 -21.703) 21.757 6.016 ( -19.280 -11.132 9.234) 24.102 10.899 ( -6.962 -4.020 3.013) 8.586 11.484 ( 0.572 0.330 -1.694) 1.818 12.723 ( -8.826 -5.096 -14.118) 17.412 12.881 ( 0.478 0.276 -2.129) 2.199 14.420 ( 14.676 8.473 0.753) 16.963 15.606 ( -22.094 -12.756 20.443) 32.693======================= Grid point 485 (77/165) =======================q-point: ( 0.20 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.677 ( 11.552 6.669 13.855) 19.232 1.901 ( 15.435 8.911 12.099) 21.541 2.942 ( 11.621 6.710 -11.365) 17.585 3.188 ( 8.269 4.774 -9.460) 13.441 3.750 ( 24.305 14.032 11.685) 30.400 4.196 ( 1.222 0.706 1.313) 1.928 4.866 ( 12.193 7.040 0.066) 14.080 4.945 ( 4.287 2.475 -14.254) 15.089 5.656 ( -11.688 -6.748 3.358) 13.908 10.681 ( -11.324 -6.538 1.483) 13.159 11.355 ( -9.773 -5.643 2.254) 11.508 12.459 ( -13.220 -7.632 -18.322) 23.848 12.918 ( 2.726 1.574 -0.795) 3.247 14.736 ( 11.392 6.577 -0.176) 13.156 15.225 ( -10.563 -6.098 19.661) 23.137======================= Grid point 486 (78/165) =======================q-point: ( 0.27 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.951 ( 11.386 6.574 7.664) 15.218 2.240 ( 12.916 7.457 4.258) 15.511 3.204 ( 10.771 6.219 -12.783) 17.835 3.391 ( 8.691 5.017 -5.847) 11.614 4.231 ( 1.725 0.996 0.326) 2.019 4.307 ( 22.145 12.785 10.906) 27.800 5.057 ( 4.552 2.628 -8.368) 9.882 5.113 ( 7.283 4.205 -1.278) 8.506 5.471 ( -2.638 -1.523 3.612) 4.726 10.381 ( -13.728 -7.926 0.774) 15.870 11.097 ( -10.915 -6.302 1.425) 12.684 12.125 ( -14.730 -8.504 -15.491) 23.005 13.004 ( 4.394 2.537 0.001) 5.073 14.944 ( 5.911 3.413 -6.398) 9.355 15.072 ( -2.860 -1.651 20.043) 20.313======================= Grid point 487 (79/165) =======================q-point: ( 0.33 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.202 ( 9.724 5.614 1.915) 11.390 2.507 ( 9.967 5.754 -1.992) 11.680 3.442 ( 8.956 5.171 -7.054) 12.518 3.581 ( 7.078 4.087 -1.006) 8.235 4.277 ( 2.207 1.274 -1.645) 3.033 4.765 ( 16.279 9.399 8.030) 20.441 5.080 ( -3.353 -1.936 -3.178) 5.009 5.205 ( 3.177 1.834 -8.187) 8.971 5.584 ( 9.619 5.553 9.344) 14.515 10.057 ( -13.210 -7.627 0.914) 15.280 10.879 ( -7.125 -4.114 -1.390) 8.344 11.776 ( -14.747 -8.514 -9.832) 19.663 13.115 ( 4.733 2.733 0.264) 5.472 14.965 ( -1.985 -1.146 2.521) 3.407 15.123 ( 4.952 2.859 5.181) 7.716======================= Grid point 488 (80/165) =======================q-point: ( 0.40 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.403 ( 7.310 4.220 -2.897) 8.924 2.726 ( 8.873 5.123 -6.301) 12.028 3.601 ( 4.172 2.409 -0.325) 4.828 3.704 ( 2.935 1.695 4.286) 5.464 4.337 ( 2.821 1.629 -4.199) 5.314 4.980 ( -4.174 -2.410 -4.385) 6.516 5.052 ( 7.558 4.364 4.839) 9.979 5.281 ( 3.531 2.038 -3.386) 5.299 5.810 ( 8.358 4.825 9.132) 13.286 9.782 ( -9.671 -5.584 1.469) 11.264 10.772 ( -1.915 -1.106 -4.252) 4.793 11.439 ( -13.610 -7.858 -3.920) 16.197 13.216 ( 3.669 2.118 0.255) 4.244 14.910 ( -2.578 -1.488 5.711) 6.440 15.247 ( 5.666 3.271 -2.682) 7.071======================= Grid point 489 (81/165) =======================q-point: ( 0.47 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.543 ( 4.533 2.617 -6.328) 8.212 2.925 ( 7.738 4.467 -10.609) 13.870 3.636 ( -0.782 -0.452 5.735) 5.806 3.708 ( -2.605 -1.504 7.906) 8.459 4.405 ( 2.816 1.626 -5.498) 6.388 4.891 ( -3.552 -2.051 -4.659) 6.207 5.124 ( -0.519 -0.300 1.749) 1.849 5.368 ( 2.933 1.694 1.137) 3.573 5.943 ( 2.473 1.428 8.386) 8.859 9.621 ( -3.787 -2.187 1.943) 4.786 10.771 ( 0.737 0.426 -7.451) 7.499 11.164 ( -8.511 -4.914 1.365) 9.922 13.279 ( 1.589 0.917 0.173) 1.843 14.844 ( -2.968 -1.714 6.441) 7.296 15.392 ( 6.541 3.777 -6.092) 9.704======================= Grid point 490 (82/165) =======================q-point: (-0.47 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.615 ( 1.484 0.857 -7.943) 8.126 3.048 ( 1.211 0.699 -14.410) 14.478 3.587 ( -7.481 -4.319 9.019) 12.489 3.614 ( 0.444 0.257 8.889) 8.904 4.458 ( 1.408 0.813 -5.003) 5.261 4.799 ( -4.602 -2.657 -4.426) 6.916 5.063 ( -4.343 -2.507 1.911) 5.367 5.390 ( -1.224 -0.707 2.240) 2.648 5.919 ( -4.356 -2.515 8.140) 9.569 9.611 ( 2.959 1.708 2.033) 3.976 10.733 ( -3.878 -2.239 -5.996) 7.484 11.119 ( 4.811 2.778 0.300) 5.564 13.289 ( -0.805 -0.465 0.088) 0.933 14.775 ( -2.851 -1.646 6.617) 7.391 15.548 ( 6.538 3.775 -6.745) 10.123======================= Grid point 491 (83/165) =======================q-point: (-0.40 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.608 ( -2.254 -1.302 -6.767) 7.250 2.949 ( -8.817 -5.091 -9.090) 13.648 3.373 ( -10.140 -5.855 7.711) 14.020 3.682 ( 4.055 2.341 -0.882) 4.764 4.467 ( -0.648 -0.374 -3.769) 3.843 4.665 ( -6.843 -3.951 -1.733) 8.089 4.928 ( -6.855 -3.958 3.614) 8.701 5.314 ( -4.901 -2.829 1.969) 5.991 5.758 ( -8.619 -4.976 7.302) 12.344 9.751 ( 8.625 4.979 1.764) 10.114 10.671 ( -0.129 -0.075 -2.473) 2.478 11.309 ( 9.964 5.753 -4.024) 12.189 13.246 ( -2.693 -1.555 -0.021) 3.110 14.714 ( -2.282 -1.317 6.720) 7.218 15.688 ( 5.052 2.917 -5.490) 8.011======================= Grid point 492 (84/165) =======================q-point: (-0.33 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.494 ( -7.672 -4.429 -0.584) 8.878 2.677 ( -13.680 -7.898 -2.112) 15.936 3.141 ( -8.912 -5.145 2.212) 10.526 3.712 ( -3.340 -1.928 -16.203) 16.656 4.430 ( -2.327 -1.344 -2.409) 3.609 4.471 ( -9.863 -5.694 6.867) 13.299 4.769 ( -5.794 -3.345 6.515) 9.339 5.182 ( -5.661 -3.268 -0.066) 6.537 5.553 ( -7.853 -4.534 4.046) 9.929 9.997 ( 11.782 6.802 1.482) 13.685 10.759 ( 7.979 4.607 -0.110) 9.214 11.551 ( 10.053 5.804 -7.132) 13.624 13.170 ( -3.475 -2.006 -0.258) 4.021 14.666 ( -1.818 -1.050 7.017) 7.324 15.777 ( 2.395 1.383 -3.161) 4.200======================= Grid point 493 (85/165) =======================q-point: (-0.27 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.248 ( -12.718 -7.343 8.874) 17.158 2.318 ( -16.739 -9.664 3.633) 19.667 2.972 ( -5.494 -3.172 -5.793) 8.591 3.496 ( -14.240 -8.221 -18.558) 24.794 4.184 ( -14.731 -8.505 7.182) 18.464 4.364 ( -3.101 -1.790 -1.124) 3.753 4.661 ( -3.929 -2.269 9.598) 10.616 5.068 ( -4.494 -2.595 -4.281) 6.727 5.445 ( 0.265 0.153 0.788) 0.845 10.284 ( 12.191 7.039 1.654) 14.174 11.052 ( 16.776 9.685 3.662) 19.714 11.764 ( 7.770 4.486 -10.866) 14.091 13.091 ( -3.097 -1.788 -0.787) 3.661 14.620 ( -2.371 -1.369 7.413) 7.903 15.801 ( -0.155 -0.090 -0.065) 0.191======================= Grid point 494 (86/165) =======================q-point: (-0.20 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.900 ( -18.311 -10.572 9.531) 23.193 1.928 ( -13.879 -8.013 16.044) 22.677 2.870 ( -3.407 -1.967 -10.851) 11.542 3.096 ( -18.716 -10.806 -3.886) 21.958 3.785 ( -18.653 -10.769 1.127) 21.568 4.292 ( -2.932 -1.693 -0.033) 3.386 4.570 ( -4.073 -2.351 3.603) 5.924 4.944 ( -5.394 -3.115 -10.478) 12.189 5.596 ( 11.890 6.865 3.334) 14.129 10.556 ( 10.586 6.112 2.531) 12.483 11.509 ( 19.234 11.105 9.854) 24.298 11.924 ( 7.293 4.211 -16.918) 18.899 13.029 ( -2.131 -1.230 -1.704) 2.993 14.538 ( -5.120 -2.956 6.803) 9.013 15.794 ( 0.488 0.282 4.562) 4.597======================= Grid point 495 (87/165) =======================q-point: (-0.13 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.493 ( -15.082 -8.708 17.695) 24.827 1.618 ( -12.049 -6.956 21.123) 25.293 2.647 ( -18.905 -10.915 15.712) 26.896 2.806 ( -1.946 -1.124 -13.281) 13.469 3.340 ( -18.182 -10.497 -5.376) 21.672 4.231 ( -2.156 -1.245 0.777) 2.608 4.440 ( -7.286 -4.206 -0.479) 8.427 4.863 ( -1.105 -0.638 -20.138) 20.178 5.981 ( 20.791 12.003 9.721) 25.900 10.775 ( 7.987 4.612 3.878) 10.005 11.682 ( -5.549 -3.204 -0.969) 6.481 12.292 ( 22.248 12.845 -7.208) 26.682 12.989 ( -1.401 -0.809 -2.849) 3.276 14.360 ( -10.053 -5.804 3.493) 12.122 15.891 ( 9.402 5.428 10.892) 15.378======================= Grid point 496 (88/165) =======================q-point: (-0.07 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.248 ( -4.788 -2.764 25.776) 26.362 1.375 ( -8.263 -4.771 24.838) 26.607 2.238 ( -14.650 -8.458 34.582) 38.498 2.781 ( -0.149 -0.086 -14.226) 14.227 2.974 ( -12.071 -6.969 -11.454) 18.041 4.191 ( -1.249 -0.721 1.297) 1.940 4.258 ( -6.942 -4.008 0.118) 8.017 4.869 ( 0.873 0.504 -28.169) 28.187 6.554 ( 25.756 14.870 12.510) 32.265 10.929 ( 5.041 2.910 5.055) 7.709 11.356 ( -19.895 -11.486 -2.459) 23.104 12.748 ( 14.083 8.131 -3.859) 16.713 12.958 ( -1.323 -0.764 -3.792) 4.089 14.103 ( -9.970 -5.756 0.251) 11.515 16.255 ( 19.224 11.099 9.765) 24.251======================= Grid point 498 (89/165) =======================q-point: ( 0.07 0.07 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.393 ( 5.448 12.045 20.387) 24.298 1.509 ( 3.684 12.417 23.147) 26.525 2.529 ( 9.941 16.528 16.442) 25.344 2.869 ( 8.587 1.340 -11.111) 14.106 3.181 ( 5.369 18.924 -5.441) 20.409 4.189 ( -1.082 1.906 1.333) 2.565 4.445 ( 9.421 8.534 -1.085) 12.758 4.865 ( 0.633 -0.010 -23.256) 23.264 6.132 ( -11.982 -22.933 11.072) 28.144 10.879 ( 0.598 -8.630 3.704) 9.411 11.551 ( -1.620 11.005 -2.905) 11.496 12.565 ( 1.984 -22.347 -6.677) 23.407 12.965 ( -1.347 2.927 -4.603) 5.618 14.312 ( 8.760 12.134 1.671) 15.059 15.860 ( -18.411 -14.259 15.386) 27.911======================= Grid point 499 (90/165) =======================q-point: ( 0.13 0.07 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.643 ( 6.248 15.589 14.810) 22.392 1.779 ( 10.888 13.782 16.212) 23.902 2.837 ( 9.217 10.204 -7.369) 15.600 3.077 ( 10.155 4.754 -8.056) 13.807 3.572 ( 15.293 20.905 7.084) 26.854 4.198 ( -0.100 1.720 1.268) 2.140 4.722 ( 12.050 7.194 0.233) 14.036 4.906 ( 2.820 2.465 -16.536) 16.955 5.749 ( -9.917 -13.702 5.099) 17.667 10.745 ( -5.128 -9.969 1.815) 11.357 11.481 ( -9.715 -2.803 2.621) 10.445 12.368 ( 1.673 -23.055 -13.234) 26.636 12.974 ( -1.848 4.745 -4.484) 6.785 14.605 ( 11.270 8.099 2.727) 14.143 15.445 ( -17.406 -2.270 16.069) 23.797======================= Grid point 500 (91/165) =======================q-point: ( 0.20 0.07 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.922 ( 6.336 16.792 10.222) 20.655 2.121 ( 11.578 12.173 7.851) 18.544 3.086 ( 9.649 6.961 -13.764) 18.194 3.305 ( 8.611 7.474 -7.791) 13.809 4.090 ( 19.178 17.792 10.538) 28.203 4.222 ( 0.970 1.870 1.281) 2.465 4.996 ( 10.339 4.632 0.889) 11.364 5.009 ( 5.269 4.625 -9.418) 11.741 5.499 ( -5.606 -8.096 1.381) 9.944 10.502 ( -10.105 -10.414 0.548) 14.521 11.221 ( -11.501 -8.153 3.445) 14.512 12.140 ( -3.249 -19.350 -14.798) 24.576 13.010 ( 0.280 5.621 -2.115) 6.013 14.847 ( 9.093 3.684 0.942) 9.856 15.203 ( -11.193 3.048 14.001) 18.182======================= Grid point 501 (92/165) =======================q-point: ( 0.27 0.07 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.196 ( 4.773 16.873 5.609) 18.410 2.414 ( 9.183 9.389 0.481) 13.142 3.323 ( 9.819 5.132 -9.768) 14.770 3.528 ( 6.883 8.715 -4.782) 12.091 4.258 ( 1.752 1.619 -0.574) 2.454 4.581 ( 17.007 13.325 9.255) 23.504 5.093 ( 1.092 0.417 -3.513) 3.703 5.176 ( 2.754 2.507 -6.311) 7.328 5.449 ( 7.674 -0.597 6.751) 10.238 10.196 ( -12.184 -9.844 0.411) 15.669 10.958 ( -8.385 -7.403 0.683) 11.206 11.861 ( -8.070 -15.337 -11.118) 20.591 13.096 ( 2.492 5.921 -0.510) 6.444 14.999 ( 3.893 1.760 -7.032) 8.228 15.092 ( -4.011 2.753 16.440) 17.145======================= Grid point 502 (93/165) =======================q-point: ( 0.33 0.07 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.421 ( 2.164 14.856 1.375) 15.076 2.653 ( 7.730 9.090 -4.924) 12.909 3.515 ( 7.173 1.949 -2.583) 7.869 3.708 ( 3.126 8.227 -0.132) 8.802 4.315 ( 2.333 2.488 -2.851) 4.445 4.940 ( 11.061 7.000 6.051) 14.421 5.035 ( -4.181 -1.744 -2.995) 5.431 5.241 ( 2.895 1.554 -5.817) 6.681 5.661 ( 12.019 1.814 8.979) 15.112 9.896 ( -10.789 -8.001 1.008) 13.470 10.792 ( -3.397 -4.255 -2.230) 5.884 11.552 ( -10.478 -12.501 -5.778) 17.305 13.205 ( 2.541 6.029 0.029) 6.542 14.974 ( -4.872 1.348 2.476) 5.629 15.162 ( 6.219 0.997 1.856) 6.566======================= Grid point 503 (94/165) =======================q-point: ( 0.40 0.07 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.574 ( 0.269 11.162 -2.465) 11.434 2.879 ( 6.179 10.627 -8.686) 15.052 3.602 ( 2.548 -1.739 3.892) 4.966 3.786 ( -2.688 5.707 4.423) 7.705 4.390 ( 2.379 3.751 -4.938) 6.642 4.939 ( -3.882 -1.619 -4.422) 6.103 5.107 ( 2.642 0.910 2.756) 3.925 5.319 ( 4.104 1.610 -0.487) 4.435 5.851 ( 8.037 -0.846 8.166) 11.489 9.675 ( -6.283 -4.858 1.688) 8.119 10.747 ( 1.040 -1.384 -5.005) 5.296 11.255 ( -9.569 -9.585 -0.489) 13.553 13.296 ( 0.680 5.664 0.072) 5.705 14.897 ( -4.386 -0.261 5.070) 6.709 15.293 ( 7.357 1.216 -4.243) 8.579======================= Grid point 504 (95/165) =======================q-point: ( 0.47 0.07 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.662 ( -1.418 8.091 -5.279) 9.764 3.060 ( 1.853 8.380 -12.623) 15.264 3.596 ( 0.474 -1.735 8.489) 8.677 3.728 ( -8.397 2.420 7.155) 11.294 4.463 ( 0.933 3.956 -5.146) 6.557 4.855 ( -4.104 -1.561 -4.776) 6.488 5.096 ( -2.120 -2.251 1.618) 3.490 5.382 ( 1.413 -0.269 2.047) 2.502 5.908 ( 1.449 -4.645 7.624) 9.044 9.589 ( 0.100 -0.825 2.019) 2.183 10.751 ( -0.701 -2.529 -6.880) 7.363 11.079 ( -0.516 -2.926 2.568) 3.927 13.337 ( -2.055 4.592 -0.040) 5.031 14.818 ( -3.684 -1.013 5.763) 6.915 15.442 ( 8.011 1.077 -6.339) 10.272======================= Grid point 506 (96/165) =======================q-point: (-0.47 0.07 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.686 ( -3.928 5.574 -6.374) 9.334 3.055 ( -7.106 -0.678 -10.015) 12.298 3.550 ( -12.462 0.446 7.159) 14.379 3.647 ( 3.679 3.885 4.195) 6.799 4.488 ( -1.660 1.454 -4.355) 4.882 4.754 ( -5.626 -1.301 -3.695) 6.856 5.003 ( -5.206 -2.956 2.651) 6.547 5.355 ( -2.747 -2.508 2.365) 4.408 5.814 ( -4.610 -7.427 7.280) 11.376 9.661 ( 6.406 3.139 1.862) 7.372 10.676 ( -2.025 -2.897 -3.279) 4.821 11.177 ( 9.312 2.590 -1.458) 9.775 13.317 ( -4.460 2.952 -0.176) 5.352 14.750 ( -2.901 -0.601 5.943) 6.640 15.588 ( 7.542 -0.123 -5.924) 9.591======================= Grid point 507 (97/165) =======================q-point: (-0.40 0.07 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.626 ( -8.068 2.644 -3.910) 9.347 2.839 ( -12.515 -5.520 -3.312) 14.074 3.314 ( -13.294 -0.396 4.710) 14.110 3.743 ( 0.191 3.418 -9.429) 10.031 4.420 ( -3.560 -5.085 -2.226) 6.595 4.639 ( -8.086 1.941 1.558) 8.460 4.868 ( -6.855 -0.955 4.533) 8.274 5.246 ( -5.488 -3.616 1.491) 6.739 5.625 ( -6.985 -7.619 5.292) 11.612 9.864 ( 10.760 5.842 1.371) 12.320 10.681 ( 4.334 1.234 -0.941) 4.603 11.399 ( 11.634 2.994 -4.844) 12.953 13.247 ( -5.586 1.313 -0.414) 5.753 14.704 ( -2.423 0.622 6.169) 6.657 15.695 ( 5.819 -2.415 -4.003) 7.465======================= Grid point 508 (98/165) =======================q-point: (-0.33 0.07 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.440 ( -13.795 -1.329 4.029) 14.433 2.524 ( -15.775 -6.686 1.573) 17.206 3.103 ( -10.354 0.981 -2.350) 10.663 3.648 ( -10.711 -4.504 -19.592) 22.778 4.298 ( -4.133 -5.634 3.599) 7.860 4.464 ( -12.248 -0.810 4.153) 12.958 4.775 ( -6.260 4.490 8.063) 11.152 5.120 ( -4.381 -2.607 -1.895) 5.439 5.455 ( -3.672 -4.703 1.235) 6.093 10.138 ( 12.463 6.648 0.980) 14.159 10.870 ( 12.909 6.086 1.869) 14.394 11.627 ( 10.879 1.890 -8.170) 13.736 13.158 ( -5.211 0.275 -0.970) 5.308 14.672 ( -2.847 1.903 6.715) 7.538 15.738 ( 3.531 -5.381 -1.239) 6.554======================= Grid point 509 (99/165) =======================q-point: (-0.27 0.07 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.130 ( -17.173 -5.373 9.996) 20.584 2.152 ( -18.465 -5.544 8.517) 21.076 2.965 ( -7.401 1.894 -9.286) 12.025 3.325 ( -16.955 -7.369 -12.910) 22.549 4.047 ( -19.077 -4.468 4.761) 20.163 4.303 ( -2.658 -3.738 1.210) 4.744 4.700 ( -7.907 5.334 6.303) 11.433 5.018 ( -5.553 -2.148 -6.799) 9.037 5.465 ( 7.397 1.596 0.590) 7.590 10.422 ( 11.960 6.143 1.290) 13.507 11.246 ( 20.150 8.127 6.842) 22.779 11.818 ( 8.930 2.173 -13.176) 16.065 13.077 ( -3.890 -0.126 -2.030) 4.390 14.629 ( -5.026 2.474 7.101) 9.045 15.718 ( 2.611 -8.215 2.618) 9.009======================= Grid point 510 (100/165) =======================q-point: (-0.20 0.07 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.730 ( -19.220 -5.959 12.101) 23.481 1.803 ( -15.974 -4.271 18.325) 24.682 2.843 ( -9.896 -2.433 -8.917) 13.541 2.972 ( -15.283 1.343 -1.837) 15.452 3.614 ( -22.481 -5.844 1.098) 23.254 4.237 ( -1.499 -2.815 0.738) 3.274 4.601 ( -9.621 4.461 0.993) 10.651 4.902 ( -4.338 -0.902 -14.584) 15.242 5.719 ( 16.942 4.403 5.256) 18.277 10.676 ( 9.918 5.366 2.402) 11.529 11.604 ( 10.834 -2.788 6.632) 13.005 12.079 ( 16.313 12.570 -13.938) 24.868 13.017 ( -2.559 -0.623 -3.472) 4.358 14.524 ( -9.967 1.803 5.456) 11.505 15.703 ( 7.601 -9.380 9.009) 15.064======================= Grid point 515 (101/165) =======================q-point: ( 0.13 0.13 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.018 ( 5.282 19.857 9.304) 22.556 2.090 ( 8.244 16.235 11.525) 21.549 3.014 ( 6.922 6.977 -12.962) 16.267 3.250 ( 7.770 12.447 -8.781) 17.100 4.006 ( 12.448 20.211 7.098) 24.776 4.241 ( -0.613 2.876 1.774) 3.434 4.841 ( 11.741 4.740 3.624) 13.170 4.991 ( 2.714 5.311 -9.438) 11.164 5.496 ( -4.698 -10.316 0.749) 11.360 10.514 ( -4.462 -12.400 0.474) 13.187 11.315 ( -10.166 -13.754 6.865) 18.429 11.936 ( 1.690 -17.054 -13.683) 21.929 13.062 ( 0.488 4.306 -3.537) 5.594 14.719 ( 8.609 3.111 5.479) 10.668 15.480 ( -13.969 4.119 7.394) 16.333======================= Grid point 516 (102/165) =======================q-point: ( 0.20 0.13 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.321 ( 5.011 21.168 7.589) 23.039 2.380 ( 7.196 12.939 4.001) 15.337 3.218 ( 8.205 6.014 -10.947) 14.944 3.509 ( 7.234 12.393 -9.654) 17.295 4.245 ( 1.595 1.383 -0.192) 2.120 4.458 ( 13.559 16.280 9.552) 23.241 5.069 ( 3.800 3.246 -3.260) 5.967 5.109 ( 9.074 4.040 2.665) 10.284 5.352 ( -1.417 -5.355 -1.270) 5.683 10.271 ( -8.534 -12.000 -0.324) 14.729 11.014 ( -8.336 -11.709 3.395) 14.769 11.771 ( -1.615 -15.905 -10.076) 18.897 13.131 ( 1.339 6.357 -2.041) 6.810 14.882 ( 8.015 0.056 2.257) 8.327 15.299 ( -11.947 5.194 6.771) 14.681======================= Grid point 517 (103/165) =======================q-point: ( 0.27 0.13 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.573 ( 1.276 14.978 6.640) 16.434 2.647 ( 6.776 17.327 -3.096) 18.860 3.408 ( 7.344 3.314 -5.179) 9.578 3.747 ( 4.709 12.514 -5.998) 14.654 4.294 ( 2.649 1.781 -1.342) 3.463 4.820 ( 11.526 9.313 6.664) 16.248 5.083 ( -2.216 -0.748 -0.788) 2.468 5.229 ( 0.422 2.743 -5.755) 6.389 5.439 ( 12.977 -0.668 7.123) 14.819 9.989 ( -9.881 -10.360 0.236) 14.318 10.802 ( -4.265 -7.516 0.264) 8.646 11.552 ( -5.549 -14.372 -5.662) 16.414 13.237 ( 2.221 7.883 -0.754) 8.225 15.003 ( 5.944 -1.102 -4.520) 7.548 15.164 ( -7.986 3.619 8.966) 12.541======================= Grid point 518 (104/165) =======================q-point: ( 0.33 0.13 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.710 ( -0.475 11.427 1.959) 11.603 2.938 ( 4.252 19.776 -4.703) 20.767 3.524 ( 4.169 -0.981 1.116) 4.426 3.904 ( -0.954 10.652 -0.726) 10.719 4.380 ( 3.747 3.863 -3.912) 6.653 4.979 ( -1.136 -1.369 -2.238) 2.858 5.068 ( 2.596 2.817 3.470) 5.169 5.272 ( 2.510 1.769 -2.533) 3.980 5.655 ( 11.749 -2.420 7.200) 13.991 9.736 ( -7.613 -7.564 1.185) 10.797 10.711 ( 0.172 -3.491 -1.895) 3.976 11.295 ( -7.581 -12.203 -1.114) 14.409 13.356 ( 1.213 8.536 -0.288) 8.627 14.995 ( -5.704 0.346 -0.615) 5.747 15.170 ( 6.021 -0.043 1.279) 6.156======================= Grid point 519 (105/165) =======================q-point: ( 0.40 0.13 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.796 ( -2.071 9.963 -0.744) 10.203 3.175 ( -0.301 17.356 -8.071) 19.144 3.550 ( 2.288 -2.754 6.495) 7.416 3.920 ( -7.454 7.276 3.133) 10.877 4.491 ( 2.353 6.041 -4.874) 8.111 4.908 ( -3.687 -1.843 -4.847) 6.363 5.096 ( -0.364 -1.508 1.884) 2.441 5.342 ( 2.922 0.479 1.587) 3.360 5.778 ( 6.747 -6.115 6.299) 11.072 9.587 ( -2.343 -3.770 1.809) 4.793 10.715 ( 1.891 -1.815 -3.935) 4.728 11.071 ( -4.472 -7.978 2.823) 9.572 13.439 ( -1.671 8.003 -0.357) 8.183 14.891 ( -5.469 -0.315 3.111) 6.300 15.297 ( 8.272 -0.898 -4.475) 9.447======================= Grid point 520 (106/165) =======================q-point: (-0.53 0.13 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.837 ( -4.132 8.447 -3.183) 9.927 3.208 ( -8.493 4.078 -5.723) 11.024 3.621 ( 4.214 4.679 5.673) 8.476 3.805 ( -12.114 5.966 3.108) 13.856 4.554 ( -2.263 4.109 -4.390) 6.425 4.823 ( -3.419 -1.436 -5.081) 6.290 5.047 ( -2.803 -1.972 2.326) 4.142 5.360 ( -0.327 -1.665 2.630) 3.130 5.764 ( 0.661 -9.071 5.828) 10.802 9.585 ( 4.178 0.288 1.869) 4.586 10.680 ( -2.230 -3.762 -2.874) 5.233 11.046 ( 6.486 -0.594 1.941) 6.796 13.452 ( -5.094 6.073 -0.545) 7.945 14.806 ( -3.827 0.138 3.881) 5.452 15.431 ( 8.462 -2.245 -5.362) 10.267======================= Grid point 521 (107/165) =======================q-point: (-0.47 0.13 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.812 ( -7.273 5.795 -4.831) 10.480 3.021 ( -12.667 -1.736 0.167) 12.787 3.558 ( -12.643 -0.330 6.181) 14.077 3.800 ( -0.334 10.355 -6.645) 12.308 4.465 ( -6.774 -4.567 -4.057) 9.122 4.777 ( -3.946 3.705 -0.914) 5.489 4.969 ( -4.581 0.418 3.189) 5.598 5.298 ( -3.986 -2.695 2.583) 5.461 5.634 ( -3.821 -9.736 4.805) 11.510 9.730 ( 9.679 3.324 1.354) 10.323 10.632 ( 1.134 -1.125 -0.775) 1.776 11.219 ( 11.086 1.578 -1.455) 11.292 13.387 ( -7.292 3.315 -0.724) 8.043 14.761 ( -2.556 1.942 4.016) 5.141 15.538 ( 7.381 -4.722 -3.972) 9.621======================= Grid point 522 (108/165) =======================q-point: (-0.40 0.13 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.679 ( -11.969 0.514 -3.951) 12.615 2.750 ( -15.816 -1.768 5.991) 17.005 3.327 ( -12.625 0.985 0.510) 12.674 3.800 ( -8.751 1.403 -16.217) 18.480 4.303 ( -3.648 -4.696 1.129) 6.052 4.688 ( -10.862 1.948 4.262) 11.830 4.932 ( -3.711 7.389 5.071) 9.700 5.178 ( -5.705 -2.665 1.135) 6.398 5.464 ( -4.218 -7.739 1.316) 8.911 9.973 ( 12.683 4.295 0.459) 13.398 10.724 ( 8.552 2.880 0.933) 9.072 11.441 ( 11.757 1.628 -4.709) 12.769 13.276 ( -7.361 0.931 -1.162) 7.510 14.750 ( -2.366 4.049 4.452) 6.466 15.587 ( 5.320 -8.041 -1.418) 9.745======================= Grid point 523 (109/165) =======================q-point: (-0.33 0.13 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.403 ( -17.439 -3.066 1.128) 17.742 2.427 ( -17.697 -2.840 10.545) 20.796 3.150 ( -9.925 2.918 -7.471) 12.761 3.548 ( -15.342 -4.173 -15.899) 22.484 4.238 ( -2.851 -0.632 1.074) 3.111 4.436 ( -17.163 -0.975 7.653) 18.817 4.925 ( -8.450 9.041 7.660) 14.554 5.081 ( -3.221 -1.024 -3.620) 4.953 5.374 ( 2.034 -2.893 -1.943) 4.035 10.248 ( 13.536 3.604 -0.097) 14.008 10.986 ( 16.078 4.287 4.098) 17.137 11.664 ( 11.147 3.022 -9.095) 14.700 13.159 ( -5.825 -0.537 -2.132) 6.226 14.749 ( -3.617 5.515 5.386) 8.515 15.561 ( 3.188 -11.569 1.985) 12.163======================= Grid point 531 (110/165) =======================q-point: ( 0.20 0.20 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.637 ( 4.098 12.075 -1.062) 12.796 2.739 ( 7.863 18.573 8.138) 21.749 3.345 ( 5.642 7.044 -4.743) 10.195 3.790 ( 6.078 14.175 -13.425) 20.447 4.266 ( 1.381 1.053 0.689) 1.868 4.734 ( 9.363 10.130 6.058) 15.066 5.086 ( 2.026 -2.279 1.294) 3.313 5.185 ( 10.055 4.400 5.876) 12.449 5.330 ( -3.323 3.203 -3.691) 5.910 10.022 ( -6.690 -12.269 -0.167) 13.975 10.781 ( -3.362 -10.085 1.709) 10.767 11.487 ( -3.589 -12.443 -4.924) 13.855 13.273 ( 3.016 7.562 -1.395) 8.260 14.864 ( 7.027 -1.415 1.466) 7.317 15.383 ( -11.517 2.646 2.393) 12.057======================= Grid point 532 (111/165) =======================q-point: ( 0.27 0.20 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.802 ( 1.867 10.209 -0.355) 10.384 3.067 ( 7.182 19.194 5.427) 21.200 3.471 ( 1.948 3.747 -1.347) 4.433 4.024 ( 2.714 14.219 -8.577) 16.826 4.327 ( 4.613 1.403 -1.676) 5.105 4.934 ( 5.181 2.023 2.182) 5.975 5.080 ( -0.271 0.231 1.895) 1.928 5.297 ( -2.477 4.039 -2.100) 5.183 5.416 ( 11.587 -1.575 5.347) 12.858 9.781 ( -7.166 -9.845 0.679) 12.196 10.671 ( -0.428 -4.863 0.382) 4.896 11.281 ( -5.341 -12.205 -0.900) 13.353 13.413 ( 2.809 9.086 -0.789) 9.543 14.967 ( 6.312 -2.156 -3.501) 7.532 15.218 ( -8.978 1.469 3.773) 9.849======================= Grid point 533 (112/165) =======================q-point: ( 0.33 0.20 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.916 ( -0.271 9.565 0.145) 9.570 3.373 ( 4.941 19.048 3.888) 20.058 3.485 ( -1.737 -1.071 1.387) 2.467 4.132 ( -5.546 11.557 -2.559) 13.071 4.469 ( 7.252 4.811 -5.166) 10.120 4.942 ( -2.519 -2.726 -3.007) 4.776 5.089 ( 0.101 -0.135 2.269) 2.276 5.312 ( 0.835 1.838 0.717) 2.142 5.567 ( 9.256 -5.870 4.804) 11.967 9.593 ( -4.107 -6.372 1.427) 7.714 10.660 ( 2.249 -1.315 -0.265) 2.618 11.065 ( -5.349 -10.212 2.532) 11.803 13.540 ( 0.555 9.111 -0.750) 9.159 14.987 ( -3.864 -0.851 -2.386) 4.621 15.159 ( 3.803 -1.160 0.253) 3.984======================= Grid point 534 (113/165) =======================q-point: ( 0.40 0.20 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.985 ( -2.671 8.623 -0.688) 9.053 3.392 ( -6.948 -1.050 2.234) 7.374 3.618 ( 3.610 12.388 4.945) 13.819 4.088 ( -10.694 9.721 -1.753) 14.558 4.628 ( 1.602 6.843 -4.408) 8.296 4.838 ( -2.694 -5.345 -6.144) 8.578 5.072 ( -1.529 -0.369 2.495) 2.949 5.341 ( 0.998 -0.357 2.601) 2.808 5.616 ( 4.973 -9.219 3.972) 11.203 9.522 ( 1.520 -2.523 1.703) 3.402 10.678 ( -0.554 -1.604 -0.707) 1.838 10.942 ( 2.206 -4.609 4.184) 6.605 13.601 ( -3.520 7.195 -0.983) 8.070 14.891 ( -5.230 0.677 1.009) 5.370 15.255 ( 7.960 -3.224 -3.867) 9.419======================= Grid point 536 (114/165) =======================q-point: (-0.53 0.20 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.983 ( -5.941 4.892 -3.342) 8.391 3.233 ( -10.310 0.683 4.894) 11.433 3.694 ( -4.471 0.471 7.223) 8.508 4.019 ( -8.747 14.086 -7.056) 18.020 4.552 ( -8.527 -5.632 -5.545) 11.627 4.841 ( 1.434 3.960 -2.379) 4.837 5.037 ( -2.430 1.176 2.657) 3.788 5.331 ( -1.606 -0.543 3.056) 3.494 5.561 ( 0.341 -10.179 3.255) 10.692 9.594 ( 7.578 0.438 1.465) 7.730 10.622 ( -1.621 -1.603 0.496) 2.333 11.044 ( 9.798 0.246 1.924) 9.989 13.558 ( -7.440 3.773 -1.021) 8.404 14.836 ( -3.106 3.013 1.196) 4.490 15.351 ( 7.603 -5.513 -3.317) 9.959======================= Grid point 537 (115/165) =======================q-point: (-0.47 0.20 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.859 ( -9.696 -1.544 -4.098) 10.639 3.042 ( -14.931 3.662 7.195) 16.974 3.523 ( -9.979 -3.111 2.833) 10.830 4.005 ( -9.589 7.647 -13.011) 17.881 4.339 ( -6.015 -5.593 -0.978) 8.271 4.861 ( -4.931 3.782 2.036) 6.539 5.034 ( -0.845 4.775 2.568) 5.487 5.275 ( -5.380 1.709 3.661) 6.728 5.439 ( -2.453 -8.802 0.919) 9.184 9.781 ( 11.900 1.328 0.732) 11.997 10.634 ( 3.783 1.209 0.752) 4.042 11.249 ( 11.865 1.507 -0.929) 11.997 13.430 ( -8.975 0.618 -1.027) 9.055 14.837 ( -1.973 5.424 0.974) 5.853 15.401 ( 5.894 -8.424 -0.899) 10.320======================= Grid point 548 (116/165) =======================q-point: ( 0.27 0.27 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.999 ( 1.989 8.795 -1.453) 9.133 3.304 ( 8.673 3.653 6.639) 11.517 3.630 ( -1.107 11.334 5.426) 12.615 4.279 ( 11.988 6.885 -11.360) 17.893 4.385 ( -2.547 8.073 -2.207) 8.748 4.925 ( 1.463 -3.071 -0.580) 3.450 5.076 ( 1.700 -0.310 2.233) 2.823 5.378 ( 2.611 -0.383 1.754) 3.169 5.382 ( -2.186 2.144 2.759) 4.121 9.598 ( -4.519 -7.645 1.215) 8.963 10.619 ( 1.296 -0.086 1.488) 1.975 11.053 ( -5.129 -10.103 2.302) 11.562 13.591 ( 3.809 7.806 -1.075) 8.752 14.929 ( 5.777 -1.232 -2.271) 6.328 15.220 ( -8.522 -1.326 -0.131) 8.626======================= Grid point 549 (117/165) =======================q-point: ( 0.33 0.27 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.105 ( -0.507 8.781 0.484) 8.808 3.380 ( 1.713 -5.126 3.908) 6.669 3.750 ( -0.283 12.428 9.801) 15.830 4.375 ( -8.745 12.257 -5.657) 16.084 4.570 ( 12.057 4.770 -6.936) 14.705 4.844 ( -4.560 -7.208 -4.508) 9.648 5.089 ( -0.190 0.342 2.486) 2.516 5.339 ( -1.417 0.845 2.094) 2.666 5.436 ( 5.104 -6.163 2.862) 8.498 9.485 ( -1.168 -3.878 1.462) 4.306 10.667 ( 1.998 2.117 2.207) 3.653 10.881 ( -2.741 -7.843 4.271) 9.341 13.703 ( 0.173 6.138 -1.402) 6.298 14.980 ( -1.642 0.737 -2.261) 2.890 15.116 ( 1.574 -3.112 -1.321) 3.729======================= Grid point 550 (118/165) =======================q-point: (-0.60 0.27 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.129 ( -5.513 4.077 -0.464) 6.873 3.334 ( -0.987 -1.586 4.720) 5.076 3.797 ( -5.056 2.924 10.962) 12.421 4.332 ( -9.971 13.367 -7.236) 18.179 4.631 ( -8.595 -9.775 -7.115) 14.834 4.800 ( 7.879 4.195 -3.907) 9.744 5.081 ( -1.225 0.891 2.592) 3.002 5.345 ( 0.474 1.518 2.924) 3.328 5.434 ( 2.703 -7.563 2.097) 8.300 9.486 ( 4.003 -0.958 1.463) 4.368 10.659 ( -3.591 -0.151 2.466) 4.359 10.880 ( 7.853 -1.461 4.023) 8.943 13.706 ( -4.986 2.684 -1.461) 5.848 14.931 ( -3.925 3.344 -1.101) 5.272 15.169 ( 6.611 -4.816 -2.448) 8.537======================= Grid point 564 (119/165) =======================q-point: ( 0.33 0.33 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 270Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.262 ( -2.788 -5.576 2.142) 6.592 3.262 ( 2.788 5.576 2.142) 6.592 3.873 ( -0.000 -0.000 13.799) 13.799 4.604 ( -3.543 -7.086 -5.703) 9.762 4.604 ( 3.543 7.086 -5.703) 9.762 4.696 ( -0.000 0.000 -8.861) 8.861 5.096 ( -0.000 -0.000 2.637) 2.637 5.355 ( -0.611 -1.222 2.404) 2.765 5.355 ( 0.611 1.222 2.404) 2.765 9.444 ( -0.000 -0.000 1.417) 1.417 10.745 ( -2.443 -4.886 4.059) 6.806 10.745 ( 2.443 4.886 4.059) 6.806 13.768 ( -0.000 -0.000 -1.749) 1.749 15.034 ( -2.134 -4.268 -1.980) 5.166 15.034 ( 2.134 4.268 -1.980) 5.166======================= Grid point 723 (120/165) =======================q-point: ( 0.00 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.731 ( 0.000 -0.000 16.760) 16.760 1.731 ( 0.000 0.000 16.760) 16.760 2.490 ( 0.000 -0.000 -12.703) 12.703 2.490 ( 0.000 0.000 -12.703) 12.703 2.888 ( -0.000 -0.000 30.362) 30.362 4.195 ( 0.000 -0.000 0.603) 0.603 4.195 ( 0.000 0.000 0.603) 0.603 4.229 ( 0.000 -0.000 -25.839) 25.839 7.054 ( -0.000 0.000 2.720) 2.720 11.103 ( 0.000 -0.000 2.596) 2.596 11.103 ( 0.000 0.000 2.596) 2.596 12.853 ( 0.000 -0.000 -2.005) 2.005 12.853 ( -0.000 0.000 -2.005) 2.005 13.970 ( 0.000 0.000 -0.099) 0.099 16.576 ( 0.000 0.000 0.691) 0.691======================= Grid point 724 (121/165) =======================q-point: ( 0.07 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.738 ( 2.381 1.375 17.985) 18.194 1.840 ( 7.187 4.149 17.182) 19.081 2.422 ( -2.320 -1.340 -9.846) 10.204 2.568 ( 4.884 2.820 -14.080) 15.168 3.094 ( 15.383 8.881 23.450) 29.418 4.196 ( 0.327 0.189 1.033) 1.100 4.273 ( 3.746 2.163 -22.897) 23.302 4.293 ( 7.891 4.556 -1.004) 9.167 6.724 ( -23.672 -13.667 3.616) 27.572 11.068 ( -3.836 -2.215 0.702) 4.485 11.297 ( 12.926 7.463 2.586) 15.149 12.757 ( -8.760 -5.057 -4.591) 11.108 12.846 ( 0.217 0.125 -0.348) 0.429 14.104 ( 10.801 6.236 -0.064) 12.472 16.353 ( -16.944 -9.782 3.369) 19.853======================= Grid point 725 (122/165) =======================q-point: ( 0.13 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.834 ( 5.512 3.182 16.799) 17.964 2.049 ( 9.867 5.697 22.702) 25.401 2.426 ( 3.294 1.902 -16.913) 17.335 2.719 ( 7.919 4.572 -14.170) 16.864 3.537 ( 21.149 12.210 17.074) 29.797 4.210 ( 0.850 0.490 1.523) 1.812 4.404 ( 7.306 4.218 -18.530) 20.360 4.543 ( 12.624 7.289 -1.790) 14.687 6.142 ( -23.079 -13.325 2.560) 26.772 10.923 ( -8.426 -4.865 -0.930) 9.774 11.517 ( 3.621 2.090 4.183) 5.914 12.458 ( -15.642 -9.031 -10.949) 21.122 12.868 ( 1.725 0.996 1.063) 2.258 14.417 ( 14.013 8.090 -0.507) 16.188 15.916 ( -17.471 -10.087 9.008) 22.093======================= Grid point 726 (123/165) =======================q-point: ( 0.20 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.983 ( 6.793 3.922 13.638) 15.733 2.253 ( 6.778 3.913 18.795) 20.359 2.613 ( 12.760 7.367 -16.150) 21.861 2.937 ( 10.451 6.034 -13.058) 17.780 4.048 ( 21.490 12.407 11.942) 27.539 4.236 ( 1.251 0.722 2.080) 2.532 4.607 ( 9.599 5.542 -13.731) 17.646 4.849 ( 12.369 7.141 -2.589) 14.515 5.696 ( -14.187 -8.191 0.168) 16.383 10.679 ( -11.984 -6.919 -1.612) 13.932 11.434 ( -10.235 -5.909 5.662) 13.105 12.094 ( -13.753 -7.940 -15.864) 22.446 12.928 ( 3.360 1.940 1.668) 4.223 14.695 ( 8.775 5.066 -2.267) 10.383 15.601 ( -9.038 -5.218 13.691) 17.215======================= Grid point 727 (124/165) =======================q-point: ( 0.27 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.141 ( 6.491 3.748 9.516) 12.113 2.390 ( 5.419 3.129 7.675) 9.902 2.977 ( 16.755 9.673 -6.082) 20.280 3.202 ( 11.785 6.804 -10.995) 17.496 4.266 ( 1.270 0.733 2.555) 2.946 4.521 ( 18.109 10.455 6.569) 21.918 4.838 ( 9.559 5.519 -9.574) 14.611 5.042 ( 1.843 1.064 -4.334) 4.828 5.530 ( 1.770 1.022 0.674) 2.152 10.374 ( -13.565 -7.832 -1.367) 15.723 11.118 ( -14.334 -8.276 0.642) 16.564 11.818 ( -10.492 -6.057 -12.106) 17.127 13.022 ( 4.458 2.574 1.546) 5.375 14.831 ( 3.392 1.958 -4.001) 5.599 15.463 ( -3.627 -2.094 15.338) 15.899======================= Grid point 728 (125/165) =======================q-point: ( 0.33 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.281 ( 5.289 3.054 5.329) 8.106 2.521 ( 5.730 3.308 3.153) 7.330 3.353 ( 14.380 8.302 -0.839) 16.625 3.477 ( 11.182 6.456 -8.157) 15.273 4.291 ( 0.781 0.451 2.593) 2.746 4.875 ( 10.900 6.293 -1.349) 12.658 4.956 ( -2.949 -1.702 -7.320) 8.073 5.077 ( 7.950 4.590 -0.430) 9.190 5.710 ( 10.339 5.969 1.886) 12.086 10.060 ( -12.613 -7.282 -0.653) 14.579 10.831 ( -9.374 -5.412 -2.739) 11.165 11.576 ( -10.153 -5.862 -7.846) 14.106 13.130 ( 4.533 2.617 1.098) 5.348 14.885 ( 1.626 0.939 -4.219) 4.617 15.394 ( -2.626 -1.516 13.411) 13.749======================= Grid point 729 (126/165) =======================q-point: ( 0.40 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.388 ( 3.714 2.144 1.563) 4.564 2.655 ( 5.433 3.137 0.361) 6.284 3.626 ( 8.445 4.875 2.060) 9.966 3.708 ( 7.917 4.571 -4.152) 10.040 4.303 ( 0.280 0.161 1.418) 1.454 4.850 ( -3.547 -2.048 -7.189) 8.273 5.073 ( 4.767 2.752 -2.515) 6.051 5.274 ( 7.614 4.396 2.256) 9.076 5.936 ( 8.068 4.658 2.271) 9.589 9.800 ( -9.053 -5.226 0.104) 10.453 10.682 ( -3.474 -2.006 -3.492) 5.319 11.347 ( -8.986 -5.188 -4.352) 11.251 13.226 ( 3.425 1.978 0.628) 4.005 14.919 ( 1.198 0.692 -2.765) 3.092 15.338 ( -1.886 -1.089 8.453) 8.729======================= Grid point 730 (127/165) =======================q-point: ( 0.47 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.455 ( 2.005 1.158 -1.585) 2.806 2.764 ( 3.536 2.042 -3.369) 5.294 3.750 ( 2.413 1.393 3.794) 4.708 3.822 ( 1.249 0.721 1.671) 2.207 4.315 ( 1.045 0.603 -1.809) 2.175 4.785 ( -2.170 -1.253 -4.360) 5.029 5.131 ( 0.496 0.286 -0.740) 0.936 5.406 ( 3.234 1.867 1.642) 4.079 6.066 ( 2.634 1.521 2.790) 4.128 9.651 ( -3.408 -1.968 0.689) 3.995 10.644 ( -0.414 -0.239 -3.602) 3.633 11.175 ( -4.898 -2.828 -0.502) 5.678 13.284 ( 1.371 0.792 0.234) 1.601 14.930 ( -0.551 -0.318 1.035) 1.215 15.327 ( 1.408 0.813 0.556) 1.718======================= Grid point 731 (128/165) =======================q-point: (-0.47 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.482 ( 0.255 0.147 -4.025) 4.036 2.806 ( -0.267 -0.154 -7.239) 7.246 3.757 ( -1.611 -0.930 3.571) 4.027 3.761 ( -6.067 -3.503 6.572) 9.606 4.350 ( 1.589 0.917 -4.356) 4.727 4.738 ( -1.825 -1.054 -0.467) 2.159 5.103 ( -2.836 -1.637 1.750) 3.713 5.421 ( -1.921 -1.109 0.370) 2.248 6.053 ( -3.676 -2.123 3.867) 5.742 9.646 ( 3.038 1.754 1.063) 3.665 10.634 ( -0.625 -0.361 -2.550) 2.650 11.147 ( 2.681 1.548 1.812) 3.587 13.288 ( -1.021 -0.590 -0.119) 1.185 14.893 ( -2.209 -1.276 4.021) 4.762 15.404 ( 4.777 2.758 -5.981) 8.137======================= Grid point 732 (129/165) =======================q-point: (-0.40 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.467 ( -1.513 -0.874 -5.651) 5.915 2.748 ( -4.439 -2.563 -8.019) 9.517 3.558 ( -10.688 -6.171 8.789) 15.151 3.666 ( -6.604 -3.813 -1.311) 7.738 4.375 ( 0.300 0.173 -4.480) 4.494 4.707 ( -0.610 -0.352 5.254) 5.301 5.001 ( -5.659 -3.267 3.528) 7.426 5.321 ( -6.340 -3.661 -1.349) 7.444 5.902 ( -8.777 -5.067 5.080) 11.336 9.786 ( 8.586 4.957 1.321) 10.001 10.643 ( 2.304 1.330 0.115) 2.662 11.280 ( 7.788 4.496 1.290) 9.085 13.239 ( -2.990 -1.726 -0.521) 3.491 14.840 ( -2.147 -1.239 4.760) 5.367 15.529 ( 5.324 3.074 -8.813) 10.745======================= Grid point 733 (130/165) =======================q-point: (-0.33 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.410 ( -3.362 -1.941 -6.073) 7.208 2.609 ( -7.079 -4.087 -4.215) 9.197 3.278 ( -12.659 -7.309 9.284) 17.317 3.432 ( -13.036 -7.527 -8.752) 17.413 4.363 ( -1.201 -0.694 -3.635) 3.891 4.673 ( -5.057 -2.920 11.337) 12.753 4.874 ( -3.159 -1.824 3.803) 5.270 5.139 ( -8.491 -4.902 -3.710) 10.483 5.668 ( -10.272 -5.931 5.116) 12.918 10.033 ( 11.974 6.913 1.701) 13.930 10.779 ( 9.779 5.646 1.856) 11.443 11.479 ( 8.571 4.949 0.698) 9.922 13.155 ( -3.969 -2.291 -1.082) 4.709 14.795 ( -1.743 -1.006 4.845) 5.247 15.639 ( 3.887 2.244 -9.341) 10.363======================= Grid point 734 (131/165) =======================q-point: (-0.27 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.307 ( -5.387 -3.110 -4.174) 7.491 2.422 ( -8.872 -5.122 4.542) 11.206 2.983 ( -11.971 -6.911 7.371) 15.665 3.087 ( -15.179 -8.763 -15.967) 23.709 4.324 ( -2.007 -1.159 -2.531) 3.431 4.421 ( -14.922 -8.615 12.287) 21.163 4.788 ( -7.708 -4.450 0.783) 8.934 4.983 ( -4.789 -2.765 -1.102) 5.639 5.497 ( -1.468 -0.848 3.079) 3.515 10.331 ( 12.861 7.426 2.408) 15.045 11.115 ( 18.681 10.786 1.462) 21.621 11.659 ( 6.289 3.631 1.657) 7.449 13.061 ( -3.862 -2.229 -1.859) 4.831 14.747 ( -2.709 -1.564 4.560) 5.530 15.713 ( 2.625 1.516 -8.060) 8.611======================= Grid point 735 (132/165) =======================q-point: (-0.20 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.157 ( -7.232 -4.175 1.235) 8.441 2.187 ( -10.965 -6.331 16.258) 20.607 2.733 ( -8.965 -5.176 1.915) 10.527 2.769 ( -11.073 -6.393 -21.364) 24.898 4.008 ( -19.571 -11.299 13.759) 26.458 4.275 ( -2.005 -1.158 -1.446) 2.730 4.566 ( -9.553 -5.516 -6.450) 12.778 4.795 ( -10.881 -6.282 0.123) 12.565 5.666 ( 14.595 8.426 2.756) 17.076 10.622 ( 11.604 6.700 3.343) 13.810 11.601 ( 16.803 9.701 -9.039) 21.405 11.789 ( 9.082 5.243 11.620) 15.652 12.979 ( -3.044 -1.757 -2.726) 4.448 14.640 ( -7.013 -4.049 3.249) 8.725 15.794 ( 5.273 3.044 -4.508) 7.576======================= Grid point 736 (133/165) =======================q-point: (-0.13 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.933 ( -9.730 -5.618 21.812) 24.535 1.979 ( -7.544 -4.356 8.138) 11.921 2.567 ( -5.151 -2.974 -4.919) 7.718 2.574 ( -5.605 -3.236 -18.061) 19.185 3.530 ( -20.269 -11.702 16.560) 28.671 4.233 ( -1.475 -0.852 -0.542) 1.787 4.370 ( -6.756 -3.901 -12.444) 14.687 4.524 ( -11.286 -6.516 -2.832) 13.336 6.127 ( 23.811 13.747 3.865) 27.765 10.865 ( 8.836 5.102 4.018) 10.966 11.624 ( -7.638 -4.410 -4.734) 10.010 12.276 ( 22.821 13.176 5.128) 26.846 12.919 ( -2.090 -1.207 -3.300) 4.088 14.403 ( -12.744 -7.357 1.043) 14.752 16.006 ( 13.124 7.577 0.385) 15.160======================= Grid point 737 (134/165) =======================q-point: (-0.07 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.761 ( -4.460 -2.575 20.301) 20.944 1.820 ( -5.568 -3.215 13.441) 14.899 2.488 ( -1.595 -0.921 -9.854) 10.025 2.499 ( -0.914 -0.528 -12.060) 12.106 3.097 ( -15.391 -8.886 22.496) 28.669 4.207 ( -0.800 -0.462 0.122) 0.932 4.251 ( -3.613 -2.086 -12.136) 12.833 4.299 ( -6.929 -4.000 -10.354) 13.085 6.722 ( 23.947 13.826 3.811) 27.913 11.031 ( 5.138 2.966 3.845) 7.070 11.338 ( -14.880 -8.591 -0.878) 17.204 12.703 ( 12.409 7.164 0.097) 14.329 12.879 ( -1.366 -0.789 -3.117) 3.493 14.104 ( -10.690 -6.172 -0.036) 12.344 16.368 ( 15.174 8.761 1.941) 17.629======================= Grid point 739 (135/165) =======================q-point: ( 0.07 0.07 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.833 ( 1.252 7.907 17.970) 19.673 1.969 ( 7.139 8.162 16.905) 20.084 2.448 ( -2.187 3.998 -12.431) 13.240 2.633 ( 7.043 4.253 -13.048) 15.425 3.405 ( 11.594 19.843 18.131) 29.273 4.205 ( -0.211 0.917 -0.808) 1.240 4.371 ( 5.112 6.549 -17.388) 19.271 4.444 ( 6.435 10.340 -0.774) 12.204 6.288 ( -14.063 -25.230 3.586) 29.107 10.944 ( -2.392 -8.686 1.909) 9.209 11.529 ( 2.249 11.069 -0.060) 11.296 12.472 ( -5.614 -21.362 -2.102) 22.187 12.888 ( -0.633 2.689 -2.145) 3.497 14.328 ( 8.494 14.009 0.192) 16.384 16.062 ( -12.221 -15.710 4.334) 20.370======================= Grid point 740 (136/165) =======================q-point: ( 0.13 0.07 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.966 ( 3.417 9.482 14.105) 17.336 2.199 ( 7.500 8.948 21.396) 24.374 2.523 ( 5.116 7.461 -18.311) 20.424 2.830 ( 9.068 6.587 -13.046) 17.200 3.861 ( 16.721 18.337 13.909) 28.449 4.222 ( 0.948 0.986 0.339) 1.409 4.549 ( 5.968 9.172 -13.939) 17.721 4.713 ( 11.483 9.271 -1.080) 14.798 5.820 ( -13.201 -16.599 1.377) 21.253 10.761 ( -7.152 -10.348 -0.389) 12.585 11.562 ( -7.079 0.918 5.013) 8.723 12.115 ( -6.792 -22.567 -10.581) 25.834 12.923 ( 0.941 3.693 -0.385) 3.831 14.619 ( 8.682 10.277 -0.449) 13.461 15.717 ( -11.300 -8.226 8.583) 16.402======================= Grid point 741 (137/165) =======================q-point: ( 0.20 0.07 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.136 ( 3.860 10.805 9.533) 14.917 2.375 ( 2.860 8.257 12.642) 15.369 2.797 ( 14.328 10.207 -10.343) 20.407 3.083 ( 10.678 8.488 -11.672) 17.953 4.245 ( 2.538 1.118 2.611) 3.809 4.343 ( 15.636 14.892 8.058) 23.048 4.760 ( 7.198 8.841 -10.022) 15.179 4.989 ( 8.299 6.480 -2.474) 10.816 5.519 ( -4.752 -8.534 -0.002) 9.768 10.494 ( -10.457 -10.815 -1.253) 15.096 11.298 ( -15.581 -8.343 3.847) 18.087 11.842 ( -3.604 -14.444 -12.382) 19.363 12.997 ( 2.649 4.518 0.719) 5.287 14.810 ( 3.762 5.472 -2.514) 7.100 15.511 ( -5.644 -3.569 12.227) 13.932======================= Grid point 742 (138/165) =======================q-point: ( 0.27 0.07 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.314 ( 2.363 12.856 5.211) 14.072 2.496 ( 2.252 7.490 6.037) 9.880 3.174 ( 15.622 9.260 -2.719) 18.363 3.368 ( 10.661 9.562 -9.522) 17.198 4.281 ( 1.264 0.845 2.208) 2.681 4.740 ( 13.118 10.287 3.015) 16.941 4.969 ( 6.403 7.036 -6.465) 11.503 5.044 ( -3.528 -0.308 -3.785) 5.184 5.551 ( 11.015 0.656 1.624) 11.153 10.190 ( -11.510 -9.807 -0.929) 15.150 10.954 ( -12.121 -8.012 -1.018) 14.565 11.638 ( -5.821 -10.305 -8.534) 14.591 13.103 ( 3.412 5.280 0.991) 6.364 14.883 ( 0.692 2.595 -4.102) 4.903 15.414 ( -2.552 -2.702 13.099) 13.616======================= Grid point 743 (139/165) =======================q-point: ( 0.33 0.07 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.469 ( -1.445 15.238 2.281) 15.475 2.616 ( 3.730 5.902 2.497) 7.415 3.498 ( 11.713 5.580 1.249) 13.034 3.637 ( 8.334 9.201 -6.531) 14.027 4.308 ( 0.491 1.377 1.974) 2.457 4.908 ( -4.148 -0.949 -7.574) 8.688 5.012 ( 5.331 4.784 -1.455) 7.309 5.178 ( 8.261 5.061 1.406) 9.790 5.784 ( 12.193 1.116 2.067) 12.417 9.906 ( -10.006 -7.602 -0.124) 12.567 10.733 ( -5.775 -4.166 -2.911) 7.693 11.425 ( -7.298 -8.326 -5.413) 12.325 13.215 ( 2.646 5.706 0.788) 6.338 14.911 ( 0.572 1.246 -3.997) 4.226 15.348 ( -1.765 -2.916 10.559) 11.095======================= Grid point 744 (140/165) =======================q-point: ( 0.40 0.07 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.566 ( -4.772 14.557 0.927) 15.347 2.744 ( 3.433 5.867 -2.120) 7.120 3.687 ( 5.909 1.017 3.461) 6.923 3.825 ( 2.977 6.782 -1.871) 7.639 4.331 ( -0.163 2.819 0.189) 2.830 4.823 ( -3.522 -0.882 -5.675) 6.737 5.110 ( 2.311 0.856 -1.736) 3.014 5.348 ( 5.690 2.724 2.107) 6.651 5.967 ( 8.250 -1.733 2.315) 8.742 9.701 ( -5.790 -4.472 0.550) 7.337 10.651 ( -1.174 -0.993 -3.247) 3.593 11.228 ( -5.944 -6.110 -2.043) 8.765 13.302 ( 0.528 5.407 0.425) 5.449 14.928 ( 0.308 0.052 -1.535) 1.567 15.304 ( 0.326 -2.083 4.598) 5.058======================= Grid point 745 (141/165) =======================q-point: ( 0.47 0.07 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.603 ( -6.296 12.030 -0.506) 13.587 2.834 ( -0.222 5.258 -6.905) 8.682 3.743 ( 1.487 -1.661 4.234) 4.785 3.857 ( -4.877 2.517 3.859) 6.709 4.365 ( -0.171 4.122 -3.130) 5.179 4.765 ( -2.156 -0.798 -2.676) 3.528 5.120 ( -0.798 -1.283 0.581) 1.619 5.421 ( 1.032 -0.350 1.068) 1.525 6.026 ( 2.403 -5.309 3.008) 6.558 9.623 ( 0.250 -0.705 0.937) 1.199 10.639 ( -0.408 -0.359 -3.010) 3.059 11.123 ( -0.266 -2.168 1.215) 2.500 13.337 ( -2.205 4.262 0.028) 4.799 14.911 ( -1.394 -1.396 2.515) 3.196 15.335 ( 4.386 -0.133 -3.004) 5.318======================= Grid point 747 (142/165) =======================q-point: (-0.47 0.07 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.590 ( -7.271 9.020 -2.291) 11.810 2.831 ( -4.967 2.981 -9.050) 10.745 3.706 ( -6.703 -1.704 5.013) 8.542 3.726 ( -6.977 -1.994 3.546) 8.077 4.390 ( -1.133 2.129 -4.427) 5.041 4.733 ( -1.323 0.960 1.984) 2.571 5.060 ( -3.879 -2.269 2.684) 5.234 5.378 ( -3.828 -2.907 -0.353) 4.819 5.945 ( -3.561 -8.277 4.164) 9.926 9.695 ( 6.343 2.870 1.075) 7.045 10.626 ( 0.238 -0.198 -0.899) 0.951 11.182 ( 6.528 1.756 1.691) 6.969 13.311 ( -4.590 2.533 -0.378) 5.256 14.864 ( -1.950 -1.381 4.316) 4.933 15.439 ( 6.556 0.486 -7.306) 9.828======================= Grid point 748 (143/165) =======================q-point: (-0.40 0.07 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.529 ( -7.923 5.324 -3.991) 10.347 2.730 ( -8.488 1.313 -6.472) 10.754 3.465 ( -14.275 -3.187 8.545) 16.940 3.574 ( -9.789 -4.899 -5.898) 12.434 4.368 ( -1.289 -1.383 -2.968) 3.519 4.736 ( -1.971 3.188 7.294) 8.201 4.949 ( -5.693 -0.922 3.474) 6.732 5.236 ( -7.676 -4.437 -2.348) 9.172 5.748 ( -7.585 -9.680 4.860) 13.223 9.892 ( 10.861 5.114 1.119) 12.057 10.685 ( 5.867 2.906 1.345) 6.684 11.353 ( 9.420 2.498 0.765) 9.776 13.234 ( -5.832 0.767 -0.843) 5.943 14.823 ( -1.751 -0.086 4.711) 5.027 15.556 ( 6.221 -0.580 -8.575) 10.610======================= Grid point 749 (144/165) =======================q-point: (-0.33 0.07 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.418 ( -8.310 1.041 -4.070) 9.311 2.571 ( -10.642 1.073 0.170) 10.697 3.164 ( -14.905 -4.649 7.210) 17.198 3.283 ( -15.388 -6.264 -12.277) 20.658 4.325 ( -1.190 -2.847 -1.174) 3.301 4.619 ( -12.545 -2.053 9.702) 15.991 4.904 ( -4.517 4.532 3.997) 7.544 5.046 ( -6.722 -3.792 -4.108) 8.743 5.521 ( -5.862 -8.020 3.638) 10.580 10.164 ( 13.270 5.519 1.351) 14.435 10.917 ( 14.594 7.804 2.250) 16.702 11.538 ( 9.011 0.757 0.307) 9.048 13.131 ( -5.697 -0.486 -1.447) 5.898 14.796 ( -2.402 1.315 4.698) 5.438 15.639 ( 4.897 -2.350 -7.818) 9.519======================= Grid point 750 (145/165) =======================q-point: (-0.27 0.07 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.256 ( -9.072 -3.007 1.412) 9.661 2.377 ( -12.494 0.996 8.726) 15.272 2.851 ( -13.198 -7.282 -2.475) 15.276 2.967 ( -14.237 -1.671 -12.901) 19.285 4.243 ( -9.428 -4.601 7.230) 12.741 4.324 ( -11.856 -2.249 3.335) 12.520 4.742 ( -12.506 -0.081 -4.518) 13.298 4.926 ( -8.758 -2.547 1.419) 9.231 5.496 ( 9.220 0.693 1.813) 9.423 10.458 ( 13.631 4.829 1.888) 14.584 11.355 ( 22.725 12.090 0.789) 25.753 11.667 ( 6.212 -2.572 1.329) 6.854 13.031 ( -4.584 -1.067 -2.138) 5.169 14.745 ( -5.658 1.391 3.920) 7.022 15.694 ( 5.403 -3.249 -4.869) 7.966======================= Grid point 751 (146/165) =======================q-point: (-0.20 0.07 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.039 ( -10.094 -5.178 12.613) 16.964 2.161 ( -12.717 1.254 13.966) 18.930 2.589 ( -7.810 -6.340 -12.323) 15.907 2.755 ( -10.564 2.387 -12.164) 16.287 3.847 ( -23.449 -3.926 14.333) 27.761 4.238 ( -1.538 -1.892 -1.181) 2.709 4.532 ( -11.381 1.203 -10.364) 15.439 4.689 ( -12.941 -3.232 -0.287) 13.341 5.806 ( 21.146 4.394 2.584) 21.752 10.730 ( 11.902 3.710 2.348) 12.686 11.673 ( -1.333 -2.826 -3.183) 4.460 11.940 ( 27.542 9.787 3.390) 29.425 12.950 ( -3.179 -1.341 -2.593) 4.316 14.596 ( -12.272 -0.295 1.863) 12.416 15.804 ( 11.325 -2.186 0.369) 11.540======================= Grid point 756 (147/165) =======================q-point: ( 0.13 0.13 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.191 ( 3.146 11.515 7.062) 13.870 2.410 ( 6.858 11.452 14.768) 19.907 2.730 ( 4.910 12.912 -12.510) 18.637 2.995 ( 9.597 9.771 -11.081) 17.617 4.205 ( 6.099 8.687 7.383) 12.929 4.293 ( 6.303 11.658 3.256) 13.647 4.751 ( 5.960 10.257 -8.887) 14.822 4.913 ( 8.257 9.970 1.063) 12.989 5.513 ( -6.571 -12.651 0.559) 14.267 10.519 ( -6.302 -12.985 0.084) 14.434 11.470 ( -14.710 -14.809 7.233) 22.091 11.685 ( 2.445 -12.997 -9.445) 16.252 13.010 ( 1.664 4.858 -1.301) 5.297 14.787 ( 5.460 5.495 1.364) 7.866 15.599 ( -8.033 -3.454 3.110) 9.281======================= Grid point 757 (148/165) =======================q-point: ( 0.20 0.13 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.378 ( 4.582 11.543 2.186) 12.610 2.611 ( 0.663 15.207 10.587) 18.541 3.017 ( 12.327 11.160 -5.796) 17.610 3.286 ( 10.748 11.370 -9.830) 18.478 4.265 ( 1.317 1.072 1.333) 2.159 4.639 ( 11.552 12.995 5.641) 18.280 4.941 ( 4.881 8.146 -5.552) 11.000 5.121 ( 0.707 7.023 -1.410) 7.198 5.365 ( 4.854 -6.323 0.904) 8.022 10.257 ( -8.551 -11.994 -0.780) 14.751 11.073 ( -12.345 -13.199 1.700) 18.153 11.583 ( -1.173 -10.305 -6.496) 12.237 13.108 ( 2.923 6.352 -0.130) 6.993 14.890 ( 2.079 2.031 -0.947) 3.057 15.454 ( -5.360 -2.149 6.539) 8.724======================= Grid point 758 (149/165) =======================q-point: ( 0.27 0.13 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.579 ( 5.066 10.651 -1.037) 11.840 2.757 ( -3.973 19.667 7.448) 21.402 3.340 ( 12.652 6.791 0.108) 14.360 3.589 ( 9.559 11.891 -8.253) 17.346 4.302 ( 1.640 1.135 1.336) 2.400 4.903 ( 6.098 4.900 -0.947) 7.880 5.052 ( -2.552 1.474 -1.779) 3.442 5.122 ( 2.192 7.966 -1.605) 8.417 5.544 ( 14.165 -1.438 1.992) 14.376 9.987 ( -8.979 -9.857 -0.273) 13.336 10.793 ( -7.176 -7.422 -1.149) 10.388 11.433 ( -4.205 -9.508 -4.666) 11.395 13.235 ( 3.085 7.623 0.462) 8.236 14.919 ( 0.211 0.723 -3.276) 3.361 15.355 ( -3.133 -3.093 8.231) 9.334======================= Grid point 759 (150/165) =======================q-point: ( 0.33 0.13 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.754 ( 3.148 7.942 0.303) 8.549 2.880 ( -6.754 23.684 1.385) 24.667 3.572 ( 8.330 1.579 3.553) 9.193 3.844 ( 5.448 10.853 -5.262) 13.235 4.350 ( 1.749 2.726 1.055) 3.406 4.894 ( -5.119 -0.591 -5.009) 7.186 5.082 ( 2.027 2.063 -1.735) 3.372 5.275 ( 5.804 4.251 2.079) 7.489 5.754 ( 11.921 -3.916 1.863) 12.686 9.756 ( -6.886 -7.106 0.498) 9.908 10.665 ( -2.122 -2.278 -2.127) 3.770 11.255 ( -5.241 -8.135 -2.410) 9.973 13.359 ( 1.380 8.169 0.493) 8.299 14.926 ( 0.122 0.228 -3.609) 3.619 15.279 ( -1.190 -3.799 6.504) 7.626======================= Grid point 760 (151/165) =======================q-point: ( 0.40 0.13 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.838 ( -2.836 8.361 3.952) 9.673 2.994 ( -6.984 20.933 -6.971) 23.142 3.675 ( 4.117 -1.614 4.440) 6.266 3.973 ( -2.130 7.294 0.297) 7.604 4.419 ( 0.795 5.681 -0.946) 5.814 4.800 ( -3.561 -1.873 -4.384) 5.951 5.112 ( 0.398 -0.380 -0.254) 0.606 5.383 ( 3.143 0.747 1.620) 3.614 5.869 ( 7.469 -7.548 2.036) 10.813 9.618 ( -2.032 -3.646 0.899) 4.269 10.644 ( -0.218 0.292 -2.232) 2.261 11.109 ( -2.430 -5.449 0.446) 5.983 13.438 ( -1.789 7.504 0.154) 7.716 14.919 ( -0.911 -0.802 -0.453) 1.296 15.255 ( 2.752 -2.791 0.723) 3.986======================= Grid point 761 (152/165) =======================q-point: (-0.53 0.13 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.832 ( -7.094 7.779 2.569) 10.837 3.034 ( -9.584 14.982 -8.554) 19.736 3.707 ( 1.165 -1.158 1.743) 2.395 3.914 ( -9.860 2.751 5.141) 11.455 4.459 ( -2.986 3.832 -3.980) 6.280 4.754 ( 0.103 0.311 -0.651) 0.729 5.091 ( -1.822 -1.178 1.643) 2.722 5.396 ( -1.029 -1.802 0.520) 2.140 5.861 ( 1.999 -10.508 2.772) 11.050 9.618 ( 4.090 0.020 0.934) 4.195 10.632 ( -1.190 -0.157 -1.154) 1.665 11.091 ( 4.284 -0.985 1.857) 4.772 13.443 ( -5.185 5.557 -0.311) 7.606 14.882 ( -1.704 -1.203 2.865) 3.544 15.317 ( 6.324 -1.685 -4.705) 8.060======================= Grid point 762 (153/165) =======================q-point: (-0.47 0.13 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.747 ( -9.403 4.407 -0.892) 10.423 2.969 ( -12.223 10.942 -4.638) 17.048 3.663 ( -6.177 -3.364 -3.246) 7.747 3.710 ( -13.187 1.151 4.982) 14.143 4.396 ( -3.839 -1.980 -2.662) 5.074 4.799 ( 0.293 5.537 3.141) 6.372 5.031 ( -3.833 -0.013 2.727) 4.704 5.315 ( -5.351 -2.843 -0.949) 6.133 5.733 ( -3.152 -11.963 3.563) 12.874 9.754 ( 9.300 2.642 0.676) 9.691 10.632 ( 2.074 0.844 0.809) 2.381 11.213 ( 8.405 1.226 1.024) 8.555 13.372 ( -7.444 2.925 -0.698) 8.028 14.849 ( -1.158 0.228 3.904) 4.078 15.420 ( 7.097 -2.325 -6.536) 9.925======================= Grid point 763 (154/165) =======================q-point: (-0.40 0.13 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.598 ( -10.262 0.861 -2.716) 10.650 2.835 ( -13.906 8.189 0.731) 16.155 3.386 ( -15.266 -6.219 2.836) 16.726 3.504 ( -13.919 -0.509 -8.064) 16.094 4.321 ( -1.736 -2.598 -0.019) 3.125 4.799 ( -7.272 2.208 6.162) 9.784 5.009 ( -0.692 6.476 2.530) 6.987 5.159 ( -9.164 -1.995 -2.708) 9.761 5.525 ( -5.763 -11.738 3.145) 13.449 9.981 ( 12.444 3.233 0.320) 12.861 10.757 ( 9.998 3.806 1.912) 10.867 11.383 ( 9.068 0.731 -0.303) 9.102 13.252 ( -7.834 0.671 -1.022) 7.929 14.845 ( -0.965 2.189 4.022) 4.679 15.506 ( 6.064 -4.022 -5.784) 9.295======================= Grid point 764 (155/165) =======================q-point: (-0.33 0.13 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.410 ( -10.652 -1.401 -0.278) 10.747 2.644 ( -14.662 3.791 7.106) 16.729 3.041 ( -15.714 -6.524 -3.400) 17.351 3.231 ( -15.850 1.072 -9.484) 18.502 4.273 ( -1.589 -1.622 0.956) 2.464 4.600 ( -15.784 0.333 7.280) 17.386 4.959 ( -10.809 -1.418 -5.494) 12.208 5.063 ( -5.858 6.696 3.985) 9.748 5.365 ( 2.370 -6.233 0.508) 6.688 10.246 ( 14.165 2.393 0.140) 14.366 11.065 ( 19.198 5.153 2.573) 20.043 11.534 ( 7.381 0.088 -2.272) 7.723 13.122 ( -6.706 -0.564 -1.306) 6.855 14.845 ( -2.659 3.038 3.351) 5.247 15.554 ( 5.102 -5.385 -2.619) 7.867======================= Grid point 772 (156/165) =======================q-point: ( 0.20 0.20 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.594 ( 4.996 9.998 -1.369) 11.260 2.951 ( 7.940 16.040 8.681) 19.892 3.255 ( 4.491 12.784 -3.413) 13.973 3.536 ( 10.338 12.568 -8.392) 18.310 4.289 ( 0.566 1.407 0.900) 1.764 4.844 ( 6.945 6.828 3.702) 10.419 5.062 ( 1.174 3.037 -2.217) 3.939 5.273 ( 6.356 -1.064 -0.079) 6.445 5.294 ( -0.460 8.808 1.904) 9.024 10.016 ( -6.486 -11.521 -0.252) 13.224 10.813 ( -5.237 -11.009 0.966) 12.229 11.401 ( -3.153 -8.245 -2.447) 9.160 13.254 ( 3.878 7.753 -0.455) 8.681 14.897 ( 2.186 -0.856 1.119) 2.600 15.413 ( -6.327 -2.237 0.544) 6.733======================= Grid point 773 (157/165) =======================q-point: ( 0.27 0.20 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.780 ( 4.276 9.657 -0.822) 10.593 3.225 ( -0.938 24.250 5.950) 24.987 3.443 ( 7.074 3.319 1.019) 7.880 3.836 ( 9.030 11.860 -7.999) 16.917 4.327 ( 2.294 1.420 0.832) 2.823 4.951 ( -0.150 0.432 -0.709) 0.844 5.088 ( 0.134 1.350 -0.876) 1.614 5.280 ( -1.399 7.039 0.694) 7.210 5.496 ( 11.988 -3.064 1.636) 12.481 9.792 ( -6.475 -9.227 0.320) 11.276 10.672 ( -2.026 -3.849 -0.317) 4.362 11.251 ( -4.116 -8.473 -1.527) 9.543 13.406 ( 3.360 8.767 0.057) 9.389 14.916 ( 1.138 -0.727 -1.723) 2.189 15.287 ( -4.404 -3.633 2.968) 6.434======================= Grid point 774 (158/165) =======================q-point: ( 0.33 0.20 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.929 ( 1.328 9.164 0.732) 9.288 3.384 ( -8.329 21.871 -2.588) 23.546 3.579 ( 5.951 1.986 7.548) 9.815 4.065 ( 2.518 10.431 -4.525) 11.646 4.412 ( 5.236 3.064 0.148) 6.068 4.866 ( -6.383 -2.800 -3.453) 7.779 5.108 ( 0.351 0.843 -0.289) 0.958 5.345 ( 2.129 2.488 1.694) 3.687 5.633 ( 9.542 -7.536 1.285) 12.227 9.618 ( -3.651 -6.251 0.767) 7.280 10.650 ( 0.378 0.922 -0.624) 1.176 11.096 ( -3.582 -7.483 0.210) 8.299 13.533 ( 0.655 8.455 0.059) 8.480 14.925 ( 0.083 -0.041 -2.674) 2.675 15.195 ( -0.751 -4.428 2.583) 5.181======================= Grid point 775 (159/165) =======================q-point: ( 0.40 0.20 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.997 ( -3.771 7.569 1.033) 8.519 3.389 ( -9.055 11.118 -1.407) 14.408 3.695 ( 0.394 8.664 2.144) 8.934 4.106 ( -6.774 5.372 1.814) 8.834 4.547 ( 0.508 5.750 -2.519) 6.298 4.730 ( -0.833 -4.677 -3.168) 5.710 5.109 ( -0.913 0.325 0.936) 1.347 5.384 ( 0.835 -0.402 1.138) 1.468 5.676 ( 5.859 -10.763 1.503) 12.346 9.552 ( 1.639 -2.768 0.854) 3.329 10.664 ( -1.413 1.679 -0.399) 2.230 11.010 ( 1.857 -4.142 1.834) 4.896 13.587 ( -3.513 6.537 -0.313) 7.427 14.906 ( -1.966 -0.146 0.365) 2.005 15.190 ( 4.729 -3.483 -1.752) 6.129======================= Grid point 777 (160/165) =======================q-point: (-0.53 0.20 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.943 ( -8.528 3.615 -0.833) 9.300 3.320 ( -10.875 10.162 3.317) 15.249 3.734 ( -4.840 3.834 -5.034) 7.967 3.962 ( -12.566 2.350 3.320) 13.208 4.455 ( -6.003 -4.299 -3.379) 8.120 4.820 ( 4.613 5.806 0.574) 7.438 5.085 ( -2.136 0.674 1.737) 2.835 5.365 ( -2.312 -0.622 0.119) 2.397 5.623 ( 1.331 -11.973 2.084) 12.226 9.619 ( 7.269 0.051 0.672) 7.300 10.635 ( -1.765 0.451 0.688) 1.947 11.080 ( 7.424 -0.100 1.401) 7.556 13.541 ( -7.346 3.537 -0.597) 8.175 14.875 ( -1.415 0.687 2.198) 2.703 15.267 ( 6.944 -3.108 -4.051) 8.619======================= Grid point 778 (161/165) =======================q-point: (-0.47 0.20 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.789 ( -10.568 0.436 -1.950) 10.755 3.199 ( -15.168 9.786 6.218) 19.092 3.549 ( -11.926 -8.346 -2.849) 14.833 3.769 ( -13.553 4.025 -5.279) 15.091 4.337 ( -2.942 -2.473 0.073) 3.844 4.911 ( -1.453 4.032 2.523) 4.974 5.069 ( -0.998 2.725 0.953) 3.054 5.301 ( -5.615 3.048 -0.636) 6.421 5.484 ( -3.262 -11.356 2.302) 12.038 9.792 ( 11.136 0.974 0.276) 11.182 10.656 ( 3.989 1.255 1.089) 4.321 11.234 ( 8.887 0.898 -0.114) 8.933 13.413 ( -9.135 0.846 -0.594) 9.193 14.876 ( -0.229 2.106 2.163) 3.027 15.353 ( 6.502 -3.857 -3.093) 8.168======================= Grid point 789 (162/165) =======================q-point: ( 0.27 0.27 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.974 ( 4.581 9.156 -0.647) 10.258 3.454 ( 5.099 -0.621 5.424) 7.470 3.713 ( 1.836 20.753 2.575) 20.992 4.053 ( 10.900 8.907 -7.985) 16.184 4.368 ( 0.156 3.201 0.060) 3.206 4.911 ( -1.450 -5.071 -0.461) 5.294 5.105 ( 1.260 0.740 0.602) 1.580 5.389 ( -0.672 2.642 0.350) 2.748 5.443 ( 1.251 -0.847 1.563) 2.174 9.619 ( -4.290 -7.328 0.590) 8.512 10.646 ( 1.216 1.198 0.821) 1.894 11.084 ( -4.010 -7.809 0.636) 8.802 13.575 ( 3.933 7.315 -0.385) 8.315 14.904 ( 2.010 -0.065 -0.306) 2.035 15.205 ( -5.229 -4.356 -0.716) 6.843======================= Grid point 790 (163/165) =======================q-point: ( 0.33 0.27 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.121 ( 0.329 9.413 0.723) 9.446 3.442 ( 0.086 -5.491 1.269) 5.637 3.941 ( -2.837 21.237 7.576) 22.726 4.259 ( -2.298 8.808 -5.636) 10.706 4.466 ( 11.330 2.170 -1.633) 11.651 4.752 ( -7.734 -8.905 -3.289) 12.245 5.126 ( -0.003 0.941 0.848) 1.267 5.378 ( -0.796 0.919 1.272) 1.759 5.475 ( 5.100 -6.935 0.783) 8.644 9.510 ( -1.025 -3.981 0.705) 4.171 10.704 ( 0.956 4.234 0.981) 4.450 10.948 ( -1.745 -6.977 1.663) 7.382 13.681 ( 0.195 5.473 -0.521) 5.501 14.938 ( 0.078 1.642 -1.431) 2.180 15.099 ( -0.293 -4.877 -0.102) 4.886======================= Grid point 791 (164/165) =======================q-point: (-0.60 0.27 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.128 ( -7.867 4.170 0.036) 8.903 3.422 ( 2.392 -1.484 2.983) 4.102 3.996 ( -11.820 11.232 5.533) 17.218 4.199 ( -10.338 5.938 -3.484) 12.420 4.503 ( -6.824 -9.242 -4.354) 12.286 4.733 ( 11.367 3.993 -1.643) 12.159 5.123 ( -1.245 0.706 1.158) 1.841 5.385 ( 0.217 1.256 0.736) 1.472 5.471 ( 3.076 -8.091 1.132) 8.730 9.511 ( 3.993 -1.120 0.683) 4.203 10.701 ( -4.418 1.439 1.213) 4.802 10.946 ( 6.647 -1.818 1.801) 7.122 13.683 ( -4.665 2.470 -0.658) 5.320 14.921 ( -2.734 1.513 0.168) 3.130 15.119 ( 5.970 -3.133 -1.904) 7.006======================= Grid point 805 (165/165) =======================q-point: ( 0.33 0.33 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 4.63e-04 0.00e+00 0.00e+00 Number of triplets: 270Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.301 ( -3.550 -7.100 1.155) 8.021 3.301 ( 3.550 7.100 1.155) 8.021 4.175 ( -0.000 -0.000 13.750) 13.750 4.475 ( -0.000 -0.000 -11.583) 11.583 4.509 ( -3.116 -6.232 -2.571) 7.427 4.509 ( 3.116 6.232 -2.571) 7.427 5.138 ( -0.000 -0.000 1.104) 1.104 5.392 ( -0.435 -0.870 0.918) 1.338 5.392 ( 0.435 0.870 0.918) 1.338 9.468 ( -0.000 -0.000 0.646) 0.646 10.813 ( -2.773 -5.546 1.826) 6.464 10.813 ( 2.773 5.546 1.826) 6.464 13.739 ( -0.000 -0.000 -0.792) 0.792 15.001 ( -2.040 -4.080 -0.907) 4.651 15.001 ( 2.040 4.080 -0.907) 4.651=================== 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 3388.768 3388.768 3317.807 -0.000 0.000 0.000 3/23625 20.0 1214.111 1214.111 1199.743 -0.000 0.000 0.000 3/23625 30.0 483.175 483.175 398.927 -0.000 -0.000 0.000 3/23625 40.0 260.462 260.462 195.435 0.000 -0.000 0.000 3/23625 50.0 176.585 176.585 125.084 0.000 -0.000 0.000 3/23625 60.0 134.857 134.857 92.293 -0.000 -0.000 0.000 3/23625 70.0 109.464 109.464 73.425 -0.000 -0.000 0.000 3/23625 80.0 91.879 91.879 60.929 -0.000 -0.000 0.000 3/23625 90.0 78.744 78.744 51.895 -0.000 -0.000 0.000 3/23625 100.0 68.512 68.512 45.012 -0.000 -0.000 0.000 3/23625 110.0 60.346 60.346 39.598 -0.000 -0.000 0.000 3/23625 120.0 53.721 53.721 35.247 -0.000 -0.000 0.000 3/23625 130.0 48.277 48.277 31.694 -0.000 -0.000 0.000 3/23625 140.0 43.753 43.753 28.751 -0.000 -0.000 0.000 3/23625 150.0 39.952 39.952 26.285 -0.000 -0.000 0.000 3/23625 160.0 36.729 36.729 24.194 -0.000 -0.000 0.000 3/23625 170.0 33.969 33.969 22.405 -0.000 -0.000 0.000 3/23625 180.0 31.585 31.585 20.858 -0.000 -0.000 0.000 3/23625 190.0 29.508 29.508 19.511 -0.000 -0.000 0.000 3/23625 200.0 27.687 27.687 18.327 -0.000 -0.000 0.000 3/23625 210.0 26.077 26.077 17.280 -0.000 -0.000 0.000 3/23625 220.0 24.646 24.646 16.348 -0.000 -0.000 0.000 3/23625 230.0 23.365 23.365 15.513 -0.000 -0.000 0.000 3/23625 240.0 22.214 22.214 14.761 -0.000 -0.000 0.000 3/23625 250.0 21.172 21.172 14.080 -0.000 -0.000 0.000 3/23625 260.0 20.226 20.226 13.461 -0.000 -0.000 0.000 3/23625 270.0 19.363 19.363 12.895 -0.000 -0.000 0.000 3/23625 280.0 18.573 18.573 12.377 -0.000 -0.000 0.000 3/23625 290.0 17.846 17.846 11.900 -0.000 -0.000 0.000 3/23625 300.0 17.176 17.176 11.459 -0.000 -0.000 0.000 3/23625 310.0 16.556 16.556 11.051 -0.000 -0.000 0.000 3/23625 320.0 15.980 15.980 10.671 -0.000 -0.000 0.000 3/23625 330.0 15.445 15.445 10.318 -0.000 -0.000 0.000 3/23625 340.0 14.945 14.945 9.988 -0.000 -0.000 0.000 3/23625 350.0 14.477 14.477 9.679 -0.000 -0.000 0.000 3/23625 360.0 14.039 14.039 9.390 -0.000 -0.000 0.000 3/23625 370.0 13.627 13.627 9.117 -0.000 -0.000 0.000 3/23625 380.0 13.240 13.240 8.861 -0.000 -0.000 0.000 3/23625 390.0 12.875 12.875 8.619 -0.000 -0.000 0.000 3/23625 400.0 12.529 12.529 8.390 -0.000 -0.000 0.000 3/23625 410.0 12.203 12.203 8.173 -0.000 -0.000 0.000 3/23625 420.0 11.893 11.893 7.968 -0.000 -0.000 0.000 3/23625 430.0 11.600 11.600 7.773 -0.000 -0.000 0.000 3/23625 440.0 11.320 11.320 7.587 -0.000 -0.000 0.000 3/23625 450.0 11.055 11.055 7.411 -0.000 -0.000 0.000 3/23625 460.0 10.801 10.801 7.242 -0.000 -0.000 0.000 3/23625 470.0 10.560 10.560 7.082 -0.000 -0.000 0.000 3/23625 480.0 10.329 10.329 6.928 -0.000 -0.000 0.000 3/23625 490.0 10.109 10.109 6.781 -0.000 -0.000 0.000 3/23625 500.0 9.897 9.897 6.640 -0.000 -0.000 0.000 3/23625 510.0 9.695 9.695 6.506 -0.000 -0.000 0.000 3/23625 520.0 9.501 9.501 6.376 -0.000 -0.000 0.000 3/23625 530.0 9.315 9.315 6.252 -0.000 -0.000 0.000 3/23625 540.0 9.136 9.136 6.133 -0.000 -0.000 0.000 3/23625 550.0 8.964 8.964 6.018 -0.000 -0.000 0.000 3/23625 560.0 8.799 8.799 5.908 -0.000 -0.000 0.000 3/23625 570.0 8.639 8.639 5.801 -0.000 -0.000 0.000 3/23625 580.0 8.486 8.486 5.699 -0.000 -0.000 0.000 3/23625 590.0 8.338 8.338 5.600 -0.000 -0.000 0.000 3/23625 600.0 8.195 8.195 5.504 -0.000 -0.000 0.000 3/23625 610.0 8.057 8.057 5.412 -0.000 -0.000 0.000 3/23625 620.0 7.923 7.923 5.323 -0.000 -0.000 0.000 3/23625 630.0 7.794 7.794 5.237 -0.000 -0.000 0.000 3/23625 640.0 7.670 7.670 5.153 -0.000 -0.000 0.000 3/23625 650.0 7.549 7.549 5.072 -0.000 -0.000 0.000 3/23625 660.0 7.432 7.432 4.994 -0.000 -0.000 0.000 3/23625 670.0 7.319 7.319 4.918 -0.000 -0.000 0.000 3/23625 680.0 7.209 7.209 4.845 -0.000 -0.000 0.000 3/23625 690.0 7.102 7.102 4.774 -0.000 -0.000 0.000 3/23625 700.0 6.999 6.999 4.704 -0.000 -0.000 0.000 3/23625 710.0 6.899 6.899 4.637 -0.000 -0.000 0.000 3/23625 720.0 6.801 6.801 4.572 0.000 -0.000 0.000 3/23625 730.0 6.707 6.707 4.508 0.000 -0.000 0.000 3/23625 740.0 6.614 6.614 4.447 0.000 -0.000 0.000 3/23625 750.0 6.525 6.525 4.387 0.000 -0.000 0.000 3/23625 760.0 6.438 6.438 4.328 0.000 -0.000 0.000 3/23625 770.0 6.353 6.353 4.272 0.000 -0.000 0.000 3/23625 780.0 6.270 6.270 4.216 0.000 -0.000 0.000 3/23625 790.0 6.190 6.190 4.162 0.000 -0.000 0.000 3/23625 800.0 6.112 6.112 4.110 0.000 -0.000 0.000 3/23625 810.0 6.035 6.035 4.059 0.000 -0.000 0.000 3/23625 820.0 5.961 5.961 4.009 0.000 -0.000 0.000 3/23625 830.0 5.888 5.888 3.960 0.000 -0.000 0.000 3/23625 840.0 5.817 5.817 3.912 0.000 -0.000 0.000 3/23625 850.0 5.748 5.748 3.866 0.000 -0.000 0.000 3/23625 860.0 5.681 5.681 3.821 0.000 -0.000 0.000 3/23625 870.0 5.615 5.615 3.777 0.000 -0.000 0.000 3/23625 880.0 5.550 5.550 3.733 0.000 -0.000 0.000 3/23625 890.0 5.487 5.487 3.691 0.000 -0.000 0.000 3/23625 900.0 5.426 5.426 3.650 0.000 -0.000 0.000 3/23625 910.0 5.366 5.366 3.610 0.000 -0.000 0.000 3/23625 920.0 5.307 5.307 3.570 0.000 -0.000 0.000 3/23625 930.0 5.249 5.249 3.531 0.000 -0.000 0.000 3/23625 940.0 5.193 5.193 3.494 0.000 -0.000 0.000 3/23625 950.0 5.138 5.138 3.457 0.000 -0.000 0.000 3/23625 960.0 5.084 5.084 3.421 0.000 -0.000 0.000 3/23625 970.0 5.031 5.031 3.385 0.000 -0.000 0.000 3/23625 980.0 4.980 4.980 3.350 0.000 -0.000 0.000 3/23625 990.0 4.929 4.929 3.317 0.000 -0.000 0.000 3/23625 1000.0 4.880 4.880 3.283 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 00:23:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|