# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/3f55cc9f-5ea6-46dc-b518-b8bf56957e2a/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 Tm2TeO2 / P-3m1 (164) / materials id 754827](https://mdr.nims.go.jp/datasets/4e6acc6e-924e-4f85-9878-fdbf53c8d5d1) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 23:32:19]-------------------------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 3.799095148189572 0.000000000000000 0.000000000000000 b -1.899547574094786 3.290112909726376 0.000000000000000 c 0.000000000000000 0.000000000000000 7.050375330000000Atomic positions (fractional): *1 Tm 0.33333333333333 0.66666666666667 0.30604487077146 168.934 2 Tm 0.66666666666667 0.33333333333333 0.69395512922854 168.934 *3 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 *4 O 0.33333333333333 0.66666666666667 0.61976190252587 15.999 5 O 0.66666666666667 0.33333333333333 0.38023809747413 15.999-------------------------------- unit cell ---------------------------------Lattice vectors: a 3.799095148189572 0.000000000000000 0.000000000000000 b -1.899547574094786 3.290112909726376 0.000000000000000 c 0.000000000000000 0.000000000000000 7.050375330000000Atomic positions (fractional): *1 Tm 0.33333333333333 0.66666666666667 0.30604487077146 168.934 > 1 2 Tm 0.66666666666667 0.33333333333333 0.69395512922854 168.934 > 2 *3 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 3 *4 O 0.33333333333333 0.66666666666667 0.61976190252587 15.999 > 4 5 O 0.66666666666667 0.33333333333333 0.38023809747413 15.999 > 5-------------------------------- super cell --------------------------------Lattice vectors: a 11.397285444568716 0.000000000000000 0.000000000000000 b -5.698642722284358 9.870338729179128 0.000000000000000 c 0.000000000000000 0.000000000000000 14.100750659999999Atomic positions (fractional): *1 Tm 0.11111111111111 0.22222222222222 0.15302243538573 168.934 > 1 2 Tm 0.44444444444444 0.22222222222222 0.15302243538573 168.934 > 1 3 Tm 0.77777777777778 0.22222222222222 0.15302243538573 168.934 > 1 4 Tm 0.11111111111111 0.55555555555556 0.15302243538573 168.934 > 1 5 Tm 0.44444444444444 0.55555555555556 0.15302243538573 168.934 > 1 6 Tm 0.77777777777778 0.55555555555556 0.15302243538573 168.934 > 1 7 Tm 0.11111111111111 0.88888888888889 0.15302243538573 168.934 > 1 8 Tm 0.44444444444444 0.88888888888889 0.15302243538573 168.934 > 1 9 Tm 0.77777777777778 0.88888888888889 0.15302243538573 168.934 > 1 10 Tm 0.11111111111111 0.22222222222222 0.65302243538573 168.934 > 1 11 Tm 0.44444444444444 0.22222222222222 0.65302243538573 168.934 > 1 12 Tm 0.77777777777778 0.22222222222222 0.65302243538573 168.934 > 1 13 Tm 0.11111111111111 0.55555555555556 0.65302243538573 168.934 > 1 14 Tm 0.44444444444444 0.55555555555556 0.65302243538573 168.934 > 1 15 Tm 0.77777777777778 0.55555555555556 0.65302243538573 168.934 > 1 16 Tm 0.11111111111111 0.88888888888889 0.65302243538573 168.934 > 1 17 Tm 0.44444444444444 0.88888888888889 0.65302243538573 168.934 > 1 18 Tm 0.77777777777778 0.88888888888889 0.65302243538573 168.934 > 1 19 Tm 0.22222222222222 0.11111111111111 0.34697756461427 168.934 > 2 20 Tm 0.55555555555556 0.11111111111111 0.34697756461427 168.934 > 2 21 Tm 0.88888888888889 0.11111111111111 0.34697756461427 168.934 > 2 22 Tm 0.22222222222222 0.44444444444444 0.34697756461427 168.934 > 2 23 Tm 0.55555555555556 0.44444444444444 0.34697756461427 168.934 > 2 24 Tm 0.88888888888889 0.44444444444444 0.34697756461427 168.934 > 2 25 Tm 0.22222222222222 0.77777777777778 0.34697756461427 168.934 > 2 26 Tm 0.55555555555556 0.77777777777778 0.34697756461427 168.934 > 2 27 Tm 0.88888888888889 0.77777777777778 0.34697756461427 168.934 > 2 28 Tm 0.22222222222222 0.11111111111111 0.84697756461427 168.934 > 2 29 Tm 0.55555555555556 0.11111111111111 0.84697756461427 168.934 > 2 30 Tm 0.88888888888889 0.11111111111111 0.84697756461427 168.934 > 2 31 Tm 0.22222222222222 0.44444444444444 0.84697756461427 168.934 > 2 32 Tm 0.55555555555556 0.44444444444444 0.84697756461427 168.934 > 2 33 Tm 0.88888888888889 0.44444444444444 0.84697756461427 168.934 > 2 34 Tm 0.22222222222222 0.77777777777778 0.84697756461427 168.934 > 2 35 Tm 0.55555555555556 0.77777777777778 0.84697756461427 168.934 > 2 36 Tm 0.88888888888889 0.77777777777778 0.84697756461427 168.934 > 2 *37 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 3 38 Te 0.33333333333333 0.00000000000000 0.00000000000000 127.600 > 3 39 Te 0.66666666666667 0.00000000000000 0.00000000000000 127.600 > 3 40 Te 0.00000000000000 0.33333333333333 0.00000000000000 127.600 > 3 41 Te 0.33333333333333 0.33333333333333 0.00000000000000 127.600 > 3 42 Te 0.66666666666667 0.33333333333333 0.00000000000000 127.600 > 3 43 Te 0.00000000000000 0.66666666666667 0.00000000000000 127.600 > 3 44 Te 0.33333333333333 0.66666666666667 0.00000000000000 127.600 > 3 45 Te 0.66666666666667 0.66666666666667 0.00000000000000 127.600 > 3 46 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 3 47 Te 0.33333333333333 0.00000000000000 0.50000000000000 127.600 > 3 48 Te 0.66666666666667 0.00000000000000 0.50000000000000 127.600 > 3 49 Te 0.00000000000000 0.33333333333333 0.50000000000000 127.600 > 3 50 Te 0.33333333333333 0.33333333333333 0.50000000000000 127.600 > 3 51 Te 0.66666666666667 0.33333333333333 0.50000000000000 127.600 > 3 52 Te 0.00000000000000 0.66666666666667 0.50000000000000 127.600 > 3 53 Te 0.33333333333333 0.66666666666667 0.50000000000000 127.600 > 3 54 Te 0.66666666666667 0.66666666666667 0.50000000000000 127.600 > 3 *55 O 0.11111111111111 0.22222222222222 0.30988095126294 15.999 > 4 56 O 0.44444444444444 0.22222222222222 0.30988095126294 15.999 > 4 57 O 0.77777777777778 0.22222222222222 0.30988095126294 15.999 > 4 58 O 0.11111111111111 0.55555555555556 0.30988095126294 15.999 > 4 59 O 0.44444444444444 0.55555555555556 0.30988095126294 15.999 > 4 60 O 0.77777777777778 0.55555555555556 0.30988095126294 15.999 > 4 61 O 0.11111111111111 0.88888888888889 0.30988095126294 15.999 > 4 62 O 0.44444444444444 0.88888888888889 0.30988095126294 15.999 > 4 63 O 0.77777777777778 0.88888888888889 0.30988095126294 15.999 > 4 64 O 0.11111111111111 0.22222222222222 0.80988095126294 15.999 > 4 65 O 0.44444444444444 0.22222222222222 0.80988095126294 15.999 > 4 66 O 0.77777777777778 0.22222222222222 0.80988095126294 15.999 > 4 67 O 0.11111111111111 0.55555555555556 0.80988095126294 15.999 > 4 68 O 0.44444444444444 0.55555555555556 0.80988095126294 15.999 > 4 69 O 0.77777777777778 0.55555555555556 0.80988095126294 15.999 > 4 70 O 0.11111111111111 0.88888888888889 0.80988095126294 15.999 > 4 71 O 0.44444444444444 0.88888888888889 0.80988095126294 15.999 > 4 72 O 0.77777777777778 0.88888888888889 0.80988095126294 15.999 > 4 73 O 0.22222222222222 0.11111111111111 0.19011904873706 15.999 > 5 74 O 0.55555555555556 0.11111111111111 0.19011904873706 15.999 > 5 75 O 0.88888888888889 0.11111111111111 0.19011904873706 15.999 > 5 76 O 0.22222222222222 0.44444444444444 0.19011904873706 15.999 > 5 77 O 0.55555555555556 0.44444444444444 0.19011904873706 15.999 > 5 78 O 0.88888888888889 0.44444444444444 0.19011904873706 15.999 > 5 79 O 0.22222222222222 0.77777777777778 0.19011904873706 15.999 > 5 80 O 0.55555555555556 0.77777777777778 0.19011904873706 15.999 > 5 81 O 0.88888888888889 0.77777777777778 0.19011904873706 15.999 > 5 82 O 0.22222222222222 0.11111111111111 0.69011904873706 15.999 > 5 83 O 0.55555555555556 0.11111111111111 0.69011904873706 15.999 > 5 84 O 0.88888888888889 0.11111111111111 0.69011904873706 15.999 > 5 85 O 0.22222222222222 0.44444444444444 0.69011904873706 15.999 > 5 86 O 0.55555555555556 0.44444444444444 0.69011904873706 15.999 > 5 87 O 0.88888888888889 0.44444444444444 0.69011904873706 15.999 > 5 88 O 0.22222222222222 0.77777777777778 0.69011904873706 15.999 > 5 89 O 0.55555555555556 0.77777777777778 0.69011904873706 15.999 > 5 90 O 0.88888888888889 0.77777777777778 0.69011904873706 15.999 > 5----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 7.5779601 0.0000000 0.0000000 0.0000000 7.5779601 0.0000000 0.0000000 0.0000000 6.5381463-------------------------- Born effective charges -------------------------- 1 Tm 3.5928008 0.0000000 0.0000000 0.0000000 3.5928008 0.0000000 0.0000000 0.0000000 4.5041179 2 Tm 3.5928008 0.0000000 0.0000000 0.0000000 3.5928008 0.0000000 0.0000000 0.0000000 4.5041179 3 Te -2.0463308 -0.0000000 0.0000000 0.0000000 -2.0463308 0.0000000 0.0000000 0.0000000 -2.3574328 4 O -2.5696355 -0.0000000 0.0000000 0.0000000 -2.5696355 0.0000000 0.0000000 0.0000000 -3.3254015 5 O -2.5696355 -0.0000000 0.0000000 0.0000000 -2.5696355 0.0000000 0.0000000 0.0000000 -3.3254015----------------------------------------------------------------------------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: 176Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 102Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 66Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 56Use standard eigh solver.Tree of FC basis block matrices:- (224, 218), data: False|-- (56, 53), data: True|-- (66, 66), data: True|-- (102, 99), data: True-----Solver_atoms: 1 -- 90 / 90Time (Solver_compr_matrix_reshape): 0.005Solver_block: 80 / 80 - Time: 0.094Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.100--------------------------------- 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: 176Finding 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 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 23:32:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 23:32:22]-------------------------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 3.799095148189572 0.000000000000000 0.000000000000000 b -1.899547574094786 3.290112909726376 0.000000000000000 c 0.000000000000000 0.000000000000000 7.050375330000000Atomic positions (fractional): 1 Tm 0.33333333333333 0.66666666666667 0.30604487077146 168.934 2 Tm 0.66666666666667 0.33333333333333 0.69395512922854 168.934 3 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 4 O 0.33333333333333 0.66666666666667 0.61976190252587 15.999 5 O 0.66666666666667 0.33333333333333 0.38023809747413 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 11.397285444568716 0.000000000000000 0.000000000000000 b -5.698642722284358 9.870338729179128 0.000000000000000 c 0.000000000000000 0.000000000000000 14.100750659999999Atomic positions (fractional): 1 Tm 0.11111111111111 0.22222222222222 0.15302243538573 168.934 > 1 2 Tm 0.44444444444444 0.22222222222222 0.15302243538573 168.934 > 1 3 Tm 0.77777777777778 0.22222222222222 0.15302243538573 168.934 > 1 4 Tm 0.11111111111111 0.55555555555556 0.15302243538573 168.934 > 1 5 Tm 0.44444444444444 0.55555555555556 0.15302243538573 168.934 > 1 6 Tm 0.77777777777778 0.55555555555556 0.15302243538573 168.934 > 1 7 Tm 0.11111111111111 0.88888888888889 0.15302243538573 168.934 > 1 8 Tm 0.44444444444444 0.88888888888889 0.15302243538573 168.934 > 1 9 Tm 0.77777777777778 0.88888888888889 0.15302243538573 168.934 > 1 10 Tm 0.11111111111111 0.22222222222222 0.65302243538573 168.934 > 1 11 Tm 0.44444444444444 0.22222222222222 0.65302243538573 168.934 > 1 12 Tm 0.77777777777778 0.22222222222222 0.65302243538573 168.934 > 1 13 Tm 0.11111111111111 0.55555555555556 0.65302243538573 168.934 > 1 14 Tm 0.44444444444444 0.55555555555556 0.65302243538573 168.934 > 1 15 Tm 0.77777777777778 0.55555555555556 0.65302243538573 168.934 > 1 16 Tm 0.11111111111111 0.88888888888889 0.65302243538573 168.934 > 1 17 Tm 0.44444444444444 0.88888888888889 0.65302243538573 168.934 > 1 18 Tm 0.77777777777778 0.88888888888889 0.65302243538573 168.934 > 1 19 Tm 0.22222222222222 0.11111111111111 0.34697756461427 168.934 > 19 20 Tm 0.55555555555556 0.11111111111111 0.34697756461427 168.934 > 19 21 Tm 0.88888888888889 0.11111111111111 0.34697756461427 168.934 > 19 22 Tm 0.22222222222222 0.44444444444444 0.34697756461427 168.934 > 19 23 Tm 0.55555555555556 0.44444444444444 0.34697756461427 168.934 > 19 24 Tm 0.88888888888889 0.44444444444444 0.34697756461427 168.934 > 19 25 Tm 0.22222222222222 0.77777777777778 0.34697756461427 168.934 > 19 26 Tm 0.55555555555556 0.77777777777778 0.34697756461427 168.934 > 19 27 Tm 0.88888888888889 0.77777777777778 0.34697756461427 168.934 > 19 28 Tm 0.22222222222222 0.11111111111111 0.84697756461427 168.934 > 19 29 Tm 0.55555555555556 0.11111111111111 0.84697756461427 168.934 > 19 30 Tm 0.88888888888889 0.11111111111111 0.84697756461427 168.934 > 19 31 Tm 0.22222222222222 0.44444444444444 0.84697756461427 168.934 > 19 32 Tm 0.55555555555556 0.44444444444444 0.84697756461427 168.934 > 19 33 Tm 0.88888888888889 0.44444444444444 0.84697756461427 168.934 > 19 34 Tm 0.22222222222222 0.77777777777778 0.84697756461427 168.934 > 19 35 Tm 0.55555555555556 0.77777777777778 0.84697756461427 168.934 > 19 36 Tm 0.88888888888889 0.77777777777778 0.84697756461427 168.934 > 19 37 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 37 38 Te 0.33333333333333 0.00000000000000 0.00000000000000 127.600 > 37 39 Te 0.66666666666667 0.00000000000000 0.00000000000000 127.600 > 37 40 Te 0.00000000000000 0.33333333333333 0.00000000000000 127.600 > 37 41 Te 0.33333333333333 0.33333333333333 0.00000000000000 127.600 > 37 42 Te 0.66666666666667 0.33333333333333 0.00000000000000 127.600 > 37 43 Te 0.00000000000000 0.66666666666667 0.00000000000000 127.600 > 37 44 Te 0.33333333333333 0.66666666666667 0.00000000000000 127.600 > 37 45 Te 0.66666666666667 0.66666666666667 0.00000000000000 127.600 > 37 46 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 37 47 Te 0.33333333333333 0.00000000000000 0.50000000000000 127.600 > 37 48 Te 0.66666666666667 0.00000000000000 0.50000000000000 127.600 > 37 49 Te 0.00000000000000 0.33333333333333 0.50000000000000 127.600 > 37 50 Te 0.33333333333333 0.33333333333333 0.50000000000000 127.600 > 37 51 Te 0.66666666666667 0.33333333333333 0.50000000000000 127.600 > 37 52 Te 0.00000000000000 0.66666666666667 0.50000000000000 127.600 > 37 53 Te 0.33333333333333 0.66666666666667 0.50000000000000 127.600 > 37 54 Te 0.66666666666667 0.66666666666667 0.50000000000000 127.600 > 37 55 O 0.11111111111111 0.22222222222222 0.30988095126294 15.999 > 55 56 O 0.44444444444444 0.22222222222222 0.30988095126294 15.999 > 55 57 O 0.77777777777778 0.22222222222222 0.30988095126294 15.999 > 55 58 O 0.11111111111111 0.55555555555556 0.30988095126294 15.999 > 55 59 O 0.44444444444444 0.55555555555556 0.30988095126294 15.999 > 55 60 O 0.77777777777778 0.55555555555556 0.30988095126294 15.999 > 55 61 O 0.11111111111111 0.88888888888889 0.30988095126294 15.999 > 55 62 O 0.44444444444444 0.88888888888889 0.30988095126294 15.999 > 55 63 O 0.77777777777778 0.88888888888889 0.30988095126294 15.999 > 55 64 O 0.11111111111111 0.22222222222222 0.80988095126294 15.999 > 55 65 O 0.44444444444444 0.22222222222222 0.80988095126294 15.999 > 55 66 O 0.77777777777778 0.22222222222222 0.80988095126294 15.999 > 55 67 O 0.11111111111111 0.55555555555556 0.80988095126294 15.999 > 55 68 O 0.44444444444444 0.55555555555556 0.80988095126294 15.999 > 55 69 O 0.77777777777778 0.55555555555556 0.80988095126294 15.999 > 55 70 O 0.11111111111111 0.88888888888889 0.80988095126294 15.999 > 55 71 O 0.44444444444444 0.88888888888889 0.80988095126294 15.999 > 55 72 O 0.77777777777778 0.88888888888889 0.80988095126294 15.999 > 55 73 O 0.22222222222222 0.11111111111111 0.19011904873706 15.999 > 73 74 O 0.55555555555556 0.11111111111111 0.19011904873706 15.999 > 73 75 O 0.88888888888889 0.11111111111111 0.19011904873706 15.999 > 73 76 O 0.22222222222222 0.44444444444444 0.19011904873706 15.999 > 73 77 O 0.55555555555556 0.44444444444444 0.19011904873706 15.999 > 73 78 O 0.88888888888889 0.44444444444444 0.19011904873706 15.999 > 73 79 O 0.22222222222222 0.77777777777778 0.19011904873706 15.999 > 73 80 O 0.55555555555556 0.77777777777778 0.19011904873706 15.999 > 73 81 O 0.88888888888889 0.77777777777778 0.19011904873706 15.999 > 73 82 O 0.22222222222222 0.11111111111111 0.69011904873706 15.999 > 73 83 O 0.55555555555556 0.11111111111111 0.69011904873706 15.999 > 73 84 O 0.88888888888889 0.11111111111111 0.69011904873706 15.999 > 73 85 O 0.22222222222222 0.44444444444444 0.69011904873706 15.999 > 73 86 O 0.55555555555556 0.44444444444444 0.69011904873706 15.999 > 73 87 O 0.88888888888889 0.44444444444444 0.69011904873706 15.999 > 73 88 O 0.22222222222222 0.77777777777778 0.69011904873706 15.999 > 73 89 O 0.55555555555556 0.77777777777778 0.69011904873706 15.999 > 73 90 O 0.88888888888889 0.77777777777778 0.69011904873706 15.999 > 73----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 7.5779601 0.0000000 0.0000000 0.0000000 7.5779601 0.0000000 0.0000000 0.0000000 6.5381463-------------------------- Born effective charges -------------------------- 1 Tm 3.5928008 0.0000000 0.0000000 0.0000000 3.5928008 0.0000000 0.0000000 0.0000000 4.5041179 2 Tm 3.5928008 0.0000000 0.0000000 0.0000000 3.5928008 0.0000000 0.0000000 0.0000000 4.5041179 3 Te -2.0463308 -0.0000000 0.0000000 0.0000000 -2.0463308 0.0000000 0.0000000 0.0000000 -2.3574328 4 O -2.5696355 -0.0000000 0.0000000 0.0000000 -2.5696355 0.0000000 0.0000000 0.0000000 -3.3254015 5 O -2.5696355 -0.0000000 0.0000000 0.0000000 -2.5696355 0.0000000 0.0000000 0.0000000 -3.3254015----------------------------------------------------------------------------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: 0.00000002 (zzz) 0.00000002 (zzz) 0.00000002 (zzz)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 23:32:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 23:32:27]-------------------------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 3.799095148189572 0.000000000000000 0.000000000000000 b -1.899547574094786 3.290112909726376 0.000000000000000 c 0.000000000000000 0.000000000000000 7.050375330000000Atomic positions (fractional): 1 Tm 0.33333333333333 0.66666666666667 0.30604487077146 168.934 2 Tm 0.66666666666667 0.33333333333333 0.69395512922854 168.934 3 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 4 O 0.33333333333333 0.66666666666667 0.61976190252587 15.999 5 O 0.66666666666667 0.33333333333333 0.38023809747413 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 11.397285444568716 0.000000000000000 0.000000000000000 b -5.698642722284358 9.870338729179128 0.000000000000000 c 0.000000000000000 0.000000000000000 14.100750659999999Atomic positions (fractional): 1 Tm 0.11111111111111 0.22222222222222 0.15302243538573 168.934 > 1 2 Tm 0.44444444444444 0.22222222222222 0.15302243538573 168.934 > 1 3 Tm 0.77777777777778 0.22222222222222 0.15302243538573 168.934 > 1 4 Tm 0.11111111111111 0.55555555555556 0.15302243538573 168.934 > 1 5 Tm 0.44444444444444 0.55555555555556 0.15302243538573 168.934 > 1 6 Tm 0.77777777777778 0.55555555555556 0.15302243538573 168.934 > 1 7 Tm 0.11111111111111 0.88888888888889 0.15302243538573 168.934 > 1 8 Tm 0.44444444444444 0.88888888888889 0.15302243538573 168.934 > 1 9 Tm 0.77777777777778 0.88888888888889 0.15302243538573 168.934 > 1 10 Tm 0.11111111111111 0.22222222222222 0.65302243538573 168.934 > 1 11 Tm 0.44444444444444 0.22222222222222 0.65302243538573 168.934 > 1 12 Tm 0.77777777777778 0.22222222222222 0.65302243538573 168.934 > 1 13 Tm 0.11111111111111 0.55555555555556 0.65302243538573 168.934 > 1 14 Tm 0.44444444444444 0.55555555555556 0.65302243538573 168.934 > 1 15 Tm 0.77777777777778 0.55555555555556 0.65302243538573 168.934 > 1 16 Tm 0.11111111111111 0.88888888888889 0.65302243538573 168.934 > 1 17 Tm 0.44444444444444 0.88888888888889 0.65302243538573 168.934 > 1 18 Tm 0.77777777777778 0.88888888888889 0.65302243538573 168.934 > 1 19 Tm 0.22222222222222 0.11111111111111 0.34697756461427 168.934 > 19 20 Tm 0.55555555555556 0.11111111111111 0.34697756461427 168.934 > 19 21 Tm 0.88888888888889 0.11111111111111 0.34697756461427 168.934 > 19 22 Tm 0.22222222222222 0.44444444444444 0.34697756461427 168.934 > 19 23 Tm 0.55555555555556 0.44444444444444 0.34697756461427 168.934 > 19 24 Tm 0.88888888888889 0.44444444444444 0.34697756461427 168.934 > 19 25 Tm 0.22222222222222 0.77777777777778 0.34697756461427 168.934 > 19 26 Tm 0.55555555555556 0.77777777777778 0.34697756461427 168.934 > 19 27 Tm 0.88888888888889 0.77777777777778 0.34697756461427 168.934 > 19 28 Tm 0.22222222222222 0.11111111111111 0.84697756461427 168.934 > 19 29 Tm 0.55555555555556 0.11111111111111 0.84697756461427 168.934 > 19 30 Tm 0.88888888888889 0.11111111111111 0.84697756461427 168.934 > 19 31 Tm 0.22222222222222 0.44444444444444 0.84697756461427 168.934 > 19 32 Tm 0.55555555555556 0.44444444444444 0.84697756461427 168.934 > 19 33 Tm 0.88888888888889 0.44444444444444 0.84697756461427 168.934 > 19 34 Tm 0.22222222222222 0.77777777777778 0.84697756461427 168.934 > 19 35 Tm 0.55555555555556 0.77777777777778 0.84697756461427 168.934 > 19 36 Tm 0.88888888888889 0.77777777777778 0.84697756461427 168.934 > 19 37 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 37 38 Te 0.33333333333333 0.00000000000000 0.00000000000000 127.600 > 37 39 Te 0.66666666666667 0.00000000000000 0.00000000000000 127.600 > 37 40 Te 0.00000000000000 0.33333333333333 0.00000000000000 127.600 > 37 41 Te 0.33333333333333 0.33333333333333 0.00000000000000 127.600 > 37 42 Te 0.66666666666667 0.33333333333333 0.00000000000000 127.600 > 37 43 Te 0.00000000000000 0.66666666666667 0.00000000000000 127.600 > 37 44 Te 0.33333333333333 0.66666666666667 0.00000000000000 127.600 > 37 45 Te 0.66666666666667 0.66666666666667 0.00000000000000 127.600 > 37 46 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 37 47 Te 0.33333333333333 0.00000000000000 0.50000000000000 127.600 > 37 48 Te 0.66666666666667 0.00000000000000 0.50000000000000 127.600 > 37 49 Te 0.00000000000000 0.33333333333333 0.50000000000000 127.600 > 37 50 Te 0.33333333333333 0.33333333333333 0.50000000000000 127.600 > 37 51 Te 0.66666666666667 0.33333333333333 0.50000000000000 127.600 > 37 52 Te 0.00000000000000 0.66666666666667 0.50000000000000 127.600 > 37 53 Te 0.33333333333333 0.66666666666667 0.50000000000000 127.600 > 37 54 Te 0.66666666666667 0.66666666666667 0.50000000000000 127.600 > 37 55 O 0.11111111111111 0.22222222222222 0.30988095126294 15.999 > 55 56 O 0.44444444444444 0.22222222222222 0.30988095126294 15.999 > 55 57 O 0.77777777777778 0.22222222222222 0.30988095126294 15.999 > 55 58 O 0.11111111111111 0.55555555555556 0.30988095126294 15.999 > 55 59 O 0.44444444444444 0.55555555555556 0.30988095126294 15.999 > 55 60 O 0.77777777777778 0.55555555555556 0.30988095126294 15.999 > 55 61 O 0.11111111111111 0.88888888888889 0.30988095126294 15.999 > 55 62 O 0.44444444444444 0.88888888888889 0.30988095126294 15.999 > 55 63 O 0.77777777777778 0.88888888888889 0.30988095126294 15.999 > 55 64 O 0.11111111111111 0.22222222222222 0.80988095126294 15.999 > 55 65 O 0.44444444444444 0.22222222222222 0.80988095126294 15.999 > 55 66 O 0.77777777777778 0.22222222222222 0.80988095126294 15.999 > 55 67 O 0.11111111111111 0.55555555555556 0.80988095126294 15.999 > 55 68 O 0.44444444444444 0.55555555555556 0.80988095126294 15.999 > 55 69 O 0.77777777777778 0.55555555555556 0.80988095126294 15.999 > 55 70 O 0.11111111111111 0.88888888888889 0.80988095126294 15.999 > 55 71 O 0.44444444444444 0.88888888888889 0.80988095126294 15.999 > 55 72 O 0.77777777777778 0.88888888888889 0.80988095126294 15.999 > 55 73 O 0.22222222222222 0.11111111111111 0.19011904873706 15.999 > 73 74 O 0.55555555555556 0.11111111111111 0.19011904873706 15.999 > 73 75 O 0.88888888888889 0.11111111111111 0.19011904873706 15.999 > 73 76 O 0.22222222222222 0.44444444444444 0.19011904873706 15.999 > 73 77 O 0.55555555555556 0.44444444444444 0.19011904873706 15.999 > 73 78 O 0.88888888888889 0.44444444444444 0.19011904873706 15.999 > 73 79 O 0.22222222222222 0.77777777777778 0.19011904873706 15.999 > 73 80 O 0.55555555555556 0.77777777777778 0.19011904873706 15.999 > 73 81 O 0.88888888888889 0.77777777777778 0.19011904873706 15.999 > 73 82 O 0.22222222222222 0.11111111111111 0.69011904873706 15.999 > 73 83 O 0.55555555555556 0.11111111111111 0.69011904873706 15.999 > 73 84 O 0.88888888888889 0.11111111111111 0.69011904873706 15.999 > 73 85 O 0.22222222222222 0.44444444444444 0.69011904873706 15.999 > 73 86 O 0.55555555555556 0.44444444444444 0.69011904873706 15.999 > 73 87 O 0.88888888888889 0.44444444444444 0.69011904873706 15.999 > 73 88 O 0.22222222222222 0.77777777777778 0.69011904873706 15.999 > 73 89 O 0.55555555555556 0.77777777777778 0.69011904873706 15.999 > 73 90 O 0.88888888888889 0.77777777777778 0.69011904873706 15.999 > 73----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 7.5779601 0.0000000 0.0000000 0.0000000 7.5779601 0.0000000 0.0000000 0.0000000 6.5381463-------------------------- Born effective charges -------------------------- 1 Tm 3.5928008 0.0000000 0.0000000 0.0000000 3.5928008 0.0000000 0.0000000 0.0000000 4.5041179 2 Tm 3.5928008 0.0000000 0.0000000 0.0000000 3.5928008 0.0000000 0.0000000 0.0000000 4.5041179 3 Te -2.0463308 -0.0000000 0.0000000 0.0000000 -2.0463308 0.0000000 0.0000000 0.0000000 -2.3574328 4 O -2.5696355 -0.0000000 0.0000000 0.0000000 -2.5696355 0.0000000 0.0000000 0.0000000 -3.3254015 5 O -2.5696355 -0.0000000 0.0000000 0.0000000 -2.5696355 0.0000000 0.0000000 0.0000000 -3.3254015----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000002 (zzz) 0.00000002 (zzz) 0.00000002 (zzz)Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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: 0.93, Number of G-points: 313, Lambda: 0.26Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/165) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.045 ( 0.000 0.000 0.000) 0.000 3.045 ( 0.000 0.000 0.000) 0.000 3.162 ( 0.000 0.000 0.000) 0.000 3.162 ( 0.000 0.000 0.000) 0.000 4.489 ( 0.000 0.000 0.000) 0.000 5.703 ( 0.000 0.000 0.000) 0.000 10.032 ( 0.000 0.000 0.000) 0.000 10.032 ( 0.000 0.000 0.000) 0.000 12.365 ( 0.000 0.000 0.000) 0.000 12.365 ( 0.000 0.000 0.000) 0.000 12.505 ( 0.000 0.000 0.000) 0.000 14.064 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/165) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.426 ( 18.352 10.596 3.839) 21.536 0.593 ( 24.978 14.421 2.427) 28.944 0.911 ( 38.505 22.231 -3.621) 44.609 3.032 ( -0.799 -0.461 -9.010) 9.057 3.121 ( 6.183 3.570 4.054) 8.210 3.210 ( 3.710 2.142 7.626) 8.747 3.541 ( 4.285 2.474 -2.423) 5.509 4.467 ( -1.772 -1.023 -0.798) 2.196 5.654 ( -4.036 -2.330 -0.105) 4.662 10.006 ( -2.303 -1.329 -2.140) 3.413 11.925 ( -20.986 -12.116 22.315) 32.942 12.361 ( -0.236 -0.136 1.829) 1.850 12.718 ( -3.348 -1.933 -122.461) 122.522 12.997 ( 16.885 9.749 98.796) 100.701 14.138 ( 5.991 3.459 0.656) 6.949======================= Grid point 2 (3/165) =======================q-point: ( 0.13 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.860 ( 18.784 10.845 4.059) 22.067 1.162 ( 23.522 13.580 2.127) 27.244 1.792 ( 36.621 21.143 -4.003) 42.475 3.016 ( -0.490 -0.283 -11.167) 11.181 3.304 ( 8.500 4.908 9.145) 13.415 3.323 ( 5.783 3.339 8.395) 10.727 3.681 ( 7.428 4.288 -6.535) 10.783 4.414 ( -2.395 -1.383 -1.250) 3.035 5.527 ( -6.502 -3.754 -0.713) 7.542 9.916 ( -5.616 -3.242 -3.578) 7.406 11.464 ( -18.021 -10.404 9.164) 22.737 12.361 ( 0.392 0.226 3.056) 3.089 12.542 ( -9.865 -5.696 -44.270) 45.712 13.399 ( 15.733 9.083 30.485) 35.488 14.324 ( 9.522 5.497 3.470) 11.529======================= Grid point 3 (4/165) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.302 ( 18.817 10.864 4.790) 22.250 1.688 ( 21.391 12.350 2.035) 24.784 2.613 ( 33.319 19.237 -4.231) 38.706 3.009 ( -0.212 -0.122 -11.846) 11.848 3.472 ( 5.138 2.966 13.660) 14.893 3.474 ( 6.924 3.997 7.604) 11.034 3.867 ( 7.427 4.288 -12.000) 14.749 4.384 ( 0.786 0.454 -0.521) 1.047 5.370 ( -6.427 -3.711 -1.759) 7.627 9.736 ( -9.816 -5.667 -3.881) 11.981 11.093 ( -13.592 -7.847 2.031) 15.826 12.284 ( -11.948 -6.898 -24.277) 27.924 12.387 ( 1.925 1.112 3.292) 3.972 13.713 ( 11.113 6.416 13.728) 18.792 14.566 ( 10.698 6.176 7.260) 14.328======================= Grid point 4 (5/165) =======================q-point: ( 0.27 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.733 ( 17.887 10.327 6.171) 21.556 2.159 ( 18.768 10.836 2.713) 21.841 3.004 ( -0.251 -0.145 -12.289) 12.292 3.337 ( 28.079 16.211 -4.554) 32.741 3.535 ( 0.546 0.316 14.759) 14.772 3.639 ( 7.072 4.083 6.413) 10.383 3.964 ( 0.444 0.256 -14.457) 14.467 4.499 ( 8.947 5.166 -0.232) 10.334 5.244 ( -4.125 -2.381 -2.457) 5.359 9.462 ( -13.310 -7.684 -3.238) 15.706 10.830 ( -8.963 -5.175 -2.131) 10.567 11.992 ( -12.862 -7.426 -14.424) 20.703 12.451 ( 3.413 1.970 2.692) 4.772 13.925 ( 7.247 4.184 5.484) 10.005 14.808 ( 9.670 5.583 10.000) 14.990======================= Grid point 5 (6/165) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.129 ( 15.724 9.078 8.027) 19.852 2.562 ( 15.517 8.959 4.686) 18.520 2.992 ( -0.878 -0.507 -12.652) 12.693 3.509 ( -1.990 -1.149 9.093) 9.378 3.796 ( 6.182 3.569 4.977) 8.703 3.915 ( 16.625 9.599 -3.433) 19.502 3.924 ( 1.021 0.589 -10.890) 10.953 4.746 ( 10.997 6.349 -1.949) 12.847 5.181 ( -1.278 -0.738 -2.026) 2.506 9.135 ( -14.082 -8.130 -2.245) 16.414 10.672 ( -4.618 -2.666 -4.271) 6.832 11.691 ( -12.631 -7.292 -7.748) 16.515 12.538 ( 3.850 2.223 1.785) 4.791 14.061 ( 4.483 2.589 0.994) 5.272 15.007 ( 7.210 4.163 10.275) 13.224======================= Grid point 6 (7/165) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.460 ( 12.452 7.189 9.933) 17.475 2.875 ( 10.919 6.304 7.451) 14.645 2.956 ( -2.413 -1.393 -12.767) 13.068 3.461 ( -1.696 -0.979 2.132) 2.895 3.839 ( -3.698 -2.135 -8.891) 9.863 3.921 ( 4.289 2.476 3.235) 5.915 4.298 ( 11.643 6.722 -0.599) 13.457 4.980 ( 8.516 4.917 -2.875) 10.245 5.176 ( 0.587 0.339 -0.605) 0.909 8.834 ( -10.927 -6.309 -1.301) 12.684 10.609 ( -0.938 -0.541 -4.484) 4.613 11.416 ( -10.414 -6.013 -2.897) 12.370 12.620 ( 2.964 1.711 0.960) 3.555 14.141 ( 2.429 1.403 -0.751) 2.904 15.142 ( 4.285 2.474 7.701) 9.154======================= Grid point 7 (8/165) =======================q-point: ( 0.47 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.706 ( 8.446 4.876 11.152) 14.815 2.872 ( -4.879 -2.817 -12.101) 13.348 3.053 ( 3.959 2.286 5.251) 6.962 3.441 ( -0.093 -0.054 -1.979) 1.982 3.766 ( -2.040 -1.178 -3.061) 3.863 3.990 ( 1.550 0.895 1.136) 2.120 4.470 ( 3.411 1.970 -0.119) 3.941 5.123 ( 3.305 1.908 -1.813) 4.225 5.194 ( 0.568 0.328 0.480) 0.813 8.652 ( -4.148 -2.395 -0.431) 4.809 10.611 ( 0.518 0.299 -2.142) 2.224 11.232 ( -4.518 -2.609 -0.353) 5.229 12.669 ( 1.104 0.637 0.297) 1.309 14.177 ( 0.765 0.442 -0.503) 1.017 15.208 ( 1.403 0.810 2.858) 3.285======================= Grid point 16 (9/165) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.744 ( 10.966 18.993 0.000) 21.931 1.019 ( 13.986 24.224 0.000) 27.972 1.555 ( 21.281 36.859 0.000) 42.561 3.080 ( 1.093 1.894 0.000) 2.186 3.118 ( 1.184 2.051 0.000) 2.368 3.376 ( 6.143 10.641 0.000) 12.287 3.623 ( 3.189 5.523 0.000) 6.377 4.429 ( -1.451 -2.513 0.000) 2.902 5.566 ( -3.505 -6.070 0.000) 7.009 9.952 ( -2.449 -4.242 0.000) 4.898 11.618 ( -10.428 -18.062 0.000) 20.856 12.160 ( -5.236 -9.068 0.000) 10.471 12.832 ( -0.709 -1.227 0.000) 1.417 13.228 ( 10.106 17.504 0.000) 20.212 14.263 ( 4.785 8.288 0.000) 9.570======================= Grid point 17 (10/165) =======================q-point: ( 0.13 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.154 ( 14.185 17.279 2.333) 22.477 1.516 ( 16.462 20.025 1.201) 25.951 2.317 ( 26.424 28.941 -2.310) 39.257 3.071 ( -3.726 5.170 -11.330) 13.000 3.244 ( 10.335 -2.488 10.698) 15.081 3.580 ( 1.934 13.200 8.129) 15.623 3.768 ( 7.755 4.060 -8.257) 12.034 4.382 ( -0.865 -1.402 -0.528) 1.730 5.425 ( -5.118 -5.938 -0.743) 7.874 9.824 ( -6.464 -6.087 -2.109) 9.126 11.250 ( -13.503 -10.897 2.863) 17.586 12.015 ( 2.994 -18.135 -6.687) 19.559 12.735 ( -11.340 7.803 -9.665) 16.819 13.590 ( 12.408 11.355 11.430) 20.336 14.456 ( 8.067 6.932 3.173) 11.099======================= Grid point 18 (11/165) =======================q-point: ( 0.20 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.579 ( 14.816 15.905 4.042) 22.109 1.990 ( 16.070 16.718 1.837) 23.262 3.003 ( 13.490 12.094 -5.551) 18.949 3.100 ( 9.359 14.819 -9.916) 20.137 3.395 ( 9.146 -2.768 11.797) 15.182 3.701 ( -0.840 10.320 10.543) 14.778 3.928 ( 4.863 1.638 -13.712) 14.640 4.415 ( 5.101 3.089 0.079) 5.963 5.286 ( -4.340 -4.357 -1.706) 6.382 9.599 ( -10.884 -8.051 -2.619) 13.789 10.945 ( -10.791 -6.825 -0.427) 12.775 11.866 ( 2.199 -21.201 -8.394) 22.908 12.641 ( -9.384 10.822 -3.143) 14.665 13.871 ( 7.362 9.736 6.122) 13.656 14.674 ( 10.043 4.129 7.158) 13.006======================= Grid point 19 (12/165) =======================q-point: ( 0.27 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.985 ( 13.915 13.997 5.987) 20.625 2.413 ( 14.317 13.798 3.048) 20.116 3.038 ( -2.686 3.126 -11.536) 12.250 3.471 ( 4.135 -2.979 8.273) 9.717 3.684 ( 20.876 16.491 0.603) 26.611 3.794 ( 1.551 8.269 6.666) 10.734 3.952 ( -1.436 -0.776 -13.562) 13.660 4.614 ( 10.641 5.954 -1.156) 12.248 5.195 ( -2.033 -2.356 -1.948) 3.672 9.292 ( -13.497 -9.195 -2.133) 16.470 10.735 ( -6.753 -4.251 -3.236) 8.611 11.659 ( -1.684 -20.077 -6.982) 21.323 12.630 ( -4.624 10.603 0.313) 11.572 14.051 ( 3.004 8.288 1.245) 8.903 14.880 ( 9.923 1.374 9.620) 13.888======================= Grid point 20 (13/165) =======================q-point: ( 0.33 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.341 ( 11.751 11.335 8.160) 18.252 2.763 ( 11.175 10.593 4.839) 16.140 3.009 ( -3.408 1.703 -11.079) 11.716 3.476 ( -0.244 -0.788 5.274) 5.338 3.872 ( -1.153 -0.453 -4.522) 4.689 3.921 ( 0.103 5.590 -1.144) 5.707 4.147 ( 14.689 10.170 -1.061) 17.898 4.861 ( 10.379 4.851 -2.796) 11.793 5.164 ( 0.271 -1.023 -0.948) 1.421 8.966 ( -12.479 -8.509 -1.387) 15.167 10.620 ( -2.504 -2.532 -4.557) 5.783 11.417 ( -3.732 -17.284 -3.622) 18.050 12.677 ( -2.084 9.400 0.952) 9.675 14.153 ( 0.423 6.288 -1.243) 6.424 15.042 ( 7.978 -0.671 8.984) 12.034======================= Grid point 21 (14/165) =======================q-point: ( 0.40 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.621 ( 8.748 8.216 10.163) 15.727 2.935 ( -3.815 -0.362 -12.431) 13.008 3.014 ( 4.904 6.484 7.364) 10.969 3.473 ( -1.039 3.119 -0.602) 3.342 3.801 ( -3.488 -1.460 -5.834) 6.952 4.002 ( 0.682 5.329 2.180) 5.798 4.405 ( 6.948 3.670 -0.222) 7.861 5.054 ( 6.869 2.289 -3.208) 7.919 5.173 ( 1.367 -0.774 0.739) 1.737 8.714 ( -7.351 -5.576 -0.683) 9.252 10.588 ( 0.830 -1.630 -3.721) 4.146 11.203 ( -1.896 -13.583 -0.704) 13.733 12.731 ( -2.306 8.207 0.597) 8.545 14.201 ( -0.882 4.310 -1.338) 4.598 15.143 ( 5.162 -2.227 5.362) 7.769======================= Grid point 22 (15/165) =======================q-point: ( 0.47 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.800 ( -1.163 2.014 0.000) 2.325 2.834 ( -0.671 1.162 -0.000) 1.342 3.097 ( -1.143 1.979 0.000) 2.285 3.489 ( -2.712 4.696 -0.000) 5.423 3.755 ( -0.095 0.164 -0.000) 0.189 4.036 ( -2.055 3.559 0.000) 4.109 4.482 ( 0.451 -0.781 0.000) 0.902 5.129 ( 0.737 -1.277 -0.000) 1.475 5.183 ( 0.825 -1.429 0.000) 1.650 8.618 ( 0.587 -1.017 0.000) 1.174 10.593 ( 1.135 -1.966 -0.000) 2.270 11.110 ( 4.992 -8.646 0.000) 9.984 12.753 ( -4.043 7.003 -0.000) 8.086 14.215 ( -1.820 3.152 0.000) 3.640 15.177 ( 2.189 -3.792 -0.000) 4.379======================= Grid point 33 (16/165) =======================q-point: ( 0.13 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.531 ( 11.177 19.359 0.000) 22.354 1.935 ( 11.971 20.734 0.000) 23.941 2.906 ( 15.685 27.168 0.000) 31.371 3.198 ( 2.905 5.032 0.000) 5.811 3.226 ( 2.037 3.529 0.000) 4.075 3.810 ( 4.154 7.195 0.000) 8.308 3.846 ( 2.858 4.950 0.000) 5.716 4.386 ( 1.593 2.759 0.000) 3.186 5.303 ( -3.326 -5.761 0.000) 6.653 9.658 ( -6.030 -10.444 0.000) 12.060 11.024 ( -6.427 -11.131 0.000) 12.853 11.705 ( -7.419 -12.850 0.000) 14.838 12.801 ( 0.171 0.296 0.000) 0.342 13.856 ( 7.914 13.707 0.000) 15.827 14.594 ( 3.846 6.661 0.000) 7.691======================= Grid point 34 (17/165) =======================q-point: ( 0.20 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.920 ( 11.677 17.158 2.183) 20.869 2.342 ( 11.998 17.574 1.112) 21.308 3.135 ( -3.061 4.365 -7.499) 9.201 3.344 ( 7.245 0.764 5.077) 8.880 3.541 ( 16.489 20.955 0.997) 26.683 3.870 ( -1.026 5.020 8.593) 10.005 3.951 ( 2.363 2.396 -10.788) 11.300 4.515 ( 7.160 6.497 -0.333) 9.674 5.204 ( -2.340 -3.558 -0.802) 4.333 9.401 ( -10.237 -11.548 -0.858) 15.456 10.813 ( -7.188 -6.319 -1.226) 9.649 11.471 ( -2.245 -17.623 -2.547) 17.947 12.799 ( -2.902 5.427 -0.526) 6.177 14.104 ( 4.340 12.572 -0.027) 13.300 14.728 ( 6.930 1.284 4.679) 8.459======================= Grid point 35 (18/165) =======================q-point: ( 0.27 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.275 ( 10.504 14.056 4.578) 18.135 2.702 ( 10.272 14.395 2.180) 17.818 3.099 ( -4.150 1.781 -7.685) 8.913 3.447 ( 3.575 1.470 5.189) 6.471 3.886 ( -0.530 0.446 -0.670) 0.963 3.979 ( 6.473 10.223 0.317) 12.104 4.029 ( 7.235 10.917 -3.447) 13.543 4.730 ( 9.646 5.276 -2.012) 11.177 5.150 ( -0.567 -2.016 -0.647) 2.192 9.085 ( -11.862 -11.247 -0.788) 16.365 10.654 ( -4.900 -3.898 -3.355) 7.104 11.256 ( -1.127 -19.006 -1.993) 19.144 12.823 ( -2.435 8.502 0.458) 8.855 14.251 ( -1.060 10.892 -2.899) 11.321 14.864 ( 9.283 -2.735 7.969) 12.537======================= Grid point 36 (19/165) =======================q-point: ( 0.33 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.565 ( 8.332 10.314 7.172) 15.075 2.969 ( 4.201 8.197 -4.316) 10.172 3.039 ( -2.286 1.821 0.184) 2.928 3.519 ( 1.187 5.500 1.599) 5.850 3.852 ( -3.072 -0.465 -5.729) 6.517 4.074 ( -0.547 8.598 2.466) 8.962 4.313 ( 8.629 5.919 -0.291) 10.468 4.936 ( 8.830 2.488 -3.784) 9.923 5.138 ( 1.001 -1.583 0.909) 2.082 8.789 ( -9.269 -8.934 -0.473) 12.883 10.565 ( -1.246 -2.949 -4.241) 5.313 11.054 ( -0.299 -17.553 -0.118) 17.556 12.876 ( -2.531 9.902 0.756) 10.248 14.301 ( -3.495 7.845 -3.284) 9.195 14.987 ( 8.443 -4.500 6.874) 11.780======================= Grid point 37 (20/165) =======================q-point: ( 0.40 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.776 ( 5.930 6.798 9.358) 12.999 2.919 ( -5.841 -1.273 -10.603) 12.172 3.136 ( 0.860 5.428 3.491) 6.511 3.604 ( -0.895 9.419 0.437) 9.471 3.781 ( -3.629 -0.484 -3.309) 4.935 4.132 ( -2.418 7.407 1.127) 7.873 4.443 ( 3.277 0.078 0.039) 3.278 5.071 ( 4.811 -0.570 -3.449) 5.947 5.142 ( 1.355 -2.394 2.248) 3.553 8.608 ( -2.746 -4.771 -0.158) 5.507 10.542 ( 1.443 -2.871 -2.254) 3.924 10.914 ( 3.425 -13.986 0.608) 14.412 12.920 ( -4.237 9.841 0.343) 10.720 14.305 ( -3.434 5.780 -1.341) 6.856 15.059 ( 5.534 -5.856 2.609) 8.469======================= Grid point 49 (21/165) =======================q-point: ( 0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.255 ( 8.944 15.491 0.000) 17.887 2.687 ( 9.311 16.126 0.000) 18.621 3.155 ( -1.216 -2.107 0.000) 2.433 3.412 ( 3.331 5.770 0.000) 6.662 3.894 ( -0.169 -0.293 0.000) 0.338 3.940 ( 10.026 17.366 0.000) 20.052 4.059 ( 3.729 6.458 0.000) 7.458 4.664 ( 4.558 7.895 0.000) 9.116 5.145 ( -1.280 -2.217 0.000) 2.560 9.135 ( -8.277 -14.337 0.000) 16.555 10.687 ( -3.480 -6.028 0.000) 6.960 11.152 ( -8.040 -13.926 0.000) 16.081 12.892 ( 2.513 4.352 0.000) 5.025 14.345 ( 5.877 10.178 0.000) 11.753 14.738 ( 0.185 0.320 0.000) 0.370======================= Grid point 50 (22/165) =======================q-point: ( 0.27 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.537 ( 7.462 11.454 2.571) 13.910 2.978 ( 6.678 12.272 -0.909) 14.001 3.088 ( -2.986 -2.404 -0.784) 3.913 3.541 ( 3.492 7.085 0.996) 7.961 3.889 ( -0.761 0.719 -2.188) 2.425 4.167 ( 1.456 8.990 1.549) 9.238 4.242 ( 7.104 8.320 -0.444) 10.949 4.823 ( 6.526 3.860 -1.939) 7.826 5.113 ( -0.189 -1.709 0.404) 1.766 8.844 ( -8.785 -12.120 -0.125) 14.969 10.576 ( -3.315 -3.785 -2.350) 5.554 10.904 ( -3.226 -15.435 0.503) 15.776 12.984 ( 0.988 7.622 0.393) 7.696 14.470 ( -3.963 10.230 -4.520) 11.866 14.779 ( 7.950 -5.402 5.893) 11.274======================= Grid point 51 (23/165) =======================q-point: ( 0.33 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.746 ( 5.566 7.363 5.221) 10.604 2.993 ( -4.210 -1.840 -7.013) 8.384 3.171 ( 2.743 7.389 3.407) 8.587 3.676 ( 2.781 8.302 1.061) 8.819 3.871 ( -3.815 3.196 -3.407) 6.032 4.260 ( -1.633 9.508 1.523) 9.766 4.381 ( 3.765 0.741 0.308) 3.850 4.962 ( 6.566 0.163 -3.824) 7.600 5.097 ( 0.562 -2.548 2.124) 3.365 8.613 ( -5.052 -8.117 -0.063) 9.561 10.503 ( -0.848 -3.026 -3.293) 4.552 10.731 ( 0.708 -13.866 1.711) 13.989 13.070 ( -1.274 9.059 0.472) 9.160 14.454 ( -6.137 6.918 -3.372) 9.844 14.873 ( 8.251 -6.327 4.356) 11.273======================= Grid point 52 (24/165) =======================q-point: ( 0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.877 ( -0.454 0.787 0.000) 0.908 2.901 ( -1.182 2.048 -0.000) 2.364 3.232 ( -2.244 3.887 -0.000) 4.489 3.774 ( -0.488 0.845 0.000) 0.975 3.827 ( -6.036 10.454 -0.000) 12.071 4.295 ( -4.808 8.327 -0.000) 9.615 4.413 ( 1.653 -2.862 0.000) 3.305 5.034 ( 1.793 -3.105 -0.000) 3.585 5.079 ( 1.885 -3.265 0.000) 3.770 8.524 ( 1.958 -3.391 0.000) 3.916 10.482 ( 1.527 -2.644 -0.000) 3.053 10.663 ( 5.957 -10.317 0.000) 11.913 13.108 ( -4.710 8.158 -0.000) 9.420 14.431 ( -3.802 6.585 0.000) 7.604 14.916 ( 4.615 -7.993 0.000) 9.229======================= Grid point 66 (25/165) =======================q-point: ( 0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.734 ( 4.604 7.974 0.000) 9.208 3.022 ( -1.979 -3.428 0.000) 3.959 3.185 ( 4.432 7.676 0.000) 8.863 3.691 ( 3.875 6.711 0.000) 7.749 3.929 ( 1.988 3.443 0.000) 3.976 4.335 ( 3.937 6.819 0.000) 7.874 4.348 ( 1.411 2.445 0.000) 2.823 4.892 ( 1.819 3.151 0.000) 3.639 5.078 ( -1.076 -1.864 0.000) 2.153 8.617 ( -5.584 -9.672 0.000) 11.169 10.503 ( -1.857 -3.217 0.000) 3.714 10.643 ( -5.803 -10.050 0.000) 11.605 13.130 ( 3.729 6.458 0.000) 7.457 14.643 ( 2.339 4.051 0.000) 4.677 14.667 ( -1.514 -2.622 0.000) 3.027======================= Grid point 67 (26/165) =======================q-point: ( 0.33 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.862 ( 3.065 4.109 2.129) 5.551 2.953 ( -2.752 -1.822 -2.294) 4.019 3.287 ( 0.592 3.880 0.392) 3.944 3.782 ( 1.083 2.334 0.182) 2.580 4.014 ( -1.528 9.879 -0.647) 10.017 4.343 ( 1.051 -4.373 0.098) 4.499 4.441 ( -1.209 7.722 0.527) 7.834 4.956 ( 3.641 -0.292 -1.747) 4.049 5.033 ( -0.745 -3.623 1.284) 3.915 8.476 ( -1.428 -4.956 0.001) 5.158 10.450 ( -0.892 -2.008 -1.773) 2.823 10.509 ( 0.931 -7.671 1.546) 7.881 13.228 ( -0.290 6.007 0.099) 6.014 14.572 ( -5.628 4.726 -1.505) 7.502 14.748 ( 6.100 -5.601 1.602) 8.435======================= Grid point 82 (27/165) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.919 ( -0.925 -1.602 0.000) 1.850 2.919 ( 0.925 1.602 0.000) 1.850 3.327 ( -0.000 -0.000 0.000) 0.000 3.803 ( -0.000 -0.000 0.000) 0.000 4.210 ( -4.279 -7.411 0.000) 8.558 4.210 ( 4.279 7.411 0.000) 8.558 4.530 ( -0.000 -0.000 0.000) 0.000 4.970 ( -1.016 -1.761 0.000) 2.033 4.970 ( 1.016 1.761 0.000) 2.033 8.424 ( -0.000 -0.000 0.000) 0.000 10.430 ( -0.166 -0.287 0.000) 0.332 10.430 ( 0.166 0.287 0.000) 0.332 13.293 ( -0.000 -0.000 0.000) 0.000 14.654 ( -1.916 -3.318 0.000) 3.831 14.654 ( 1.916 3.318 0.000) 3.831======================= Grid point 241 (28/165) =======================q-point: ( 0.00 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.574 ( 0.000 0.000 27.859) 27.859 0.574 ( 0.000 0.000 27.859) 27.859 0.968 ( 0.000 0.000 47.226) 47.226 2.840 ( 0.000 0.000 -13.975) 13.975 2.840 ( -0.000 0.000 -13.975) 13.975 3.298 ( -0.000 -0.000 7.146) 7.146 3.298 ( 0.000 0.000 7.146) 7.146 5.028 ( -0.000 0.000 -25.317) 25.317 5.923 ( 0.000 0.000 12.840) 12.840 10.088 ( 0.000 0.000 5.306) 5.306 10.088 ( 0.000 0.000 5.306) 5.306 12.314 ( 0.000 0.000 -4.852) 4.852 12.314 ( 0.000 0.000 -4.852) 4.852 14.072 ( 0.000 0.000 0.720) 0.720 16.620 ( 0.000 0.000 1.983) 1.983======================= Grid point 242 (29/165) =======================q-point: ( 0.07 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.713 ( 16.471 9.510 15.620) 24.611 0.761 ( 12.148 7.013 23.398) 27.281 1.342 ( 25.054 14.465 33.956) 44.609 2.783 ( -1.690 -0.976 -14.352) 14.484 3.029 ( 10.678 6.165 -13.892) 18.574 3.364 ( 3.544 2.046 6.343) 7.548 3.399 ( 8.071 4.660 1.440) 9.430 4.731 ( -16.596 -9.582 -0.706) 19.176 5.654 ( -10.415 -6.013 5.977) 13.429 10.018 ( -4.187 -2.418 3.287) 5.846 10.896 ( 37.462 21.629 -32.838) 54.310 12.168 ( -12.426 -7.174 -4.817) 15.136 12.348 ( 1.364 0.787 -3.120) 3.495 14.126 ( 3.893 2.248 1.876) 4.871 15.265 ( -57.237 -33.046 72.375) 98.011======================= Grid point 243 (30/165) =======================q-point: ( 0.13 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.098 ( 16.101 9.296 17.642) 25.630 1.195 ( 22.295 12.872 4.025) 26.057 1.994 ( 29.433 16.993 20.369) 39.623 2.757 ( -0.645 -0.372 -14.207) 14.226 3.300 ( 11.937 6.892 -12.129) 18.361 3.464 ( 4.964 2.866 5.287) 7.798 3.591 ( 7.693 4.441 2.531) 9.236 4.455 ( -7.172 -4.141 0.828) 8.323 5.457 ( -7.632 -4.407 -3.970) 9.666 9.889 ( -6.942 -4.008 1.090) 8.090 11.404 ( 4.610 2.662 -15.965) 16.829 11.793 ( -13.951 -8.055 -15.468) 22.333 12.380 ( 1.543 0.891 -1.234) 2.167 14.167 ( -1.599 -0.923 17.080) 17.179 14.642 ( -2.147 -1.240 37.514) 37.596======================= Grid point 244 (31/165) =======================q-point: ( 0.20 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.497 ( 17.753 10.250 13.833) 24.730 1.709 ( 21.263 12.276 1.005) 24.573 2.683 ( 28.866 16.666 9.982) 34.794 2.748 ( -0.156 -0.090 -13.697) 13.699 3.542 ( 7.507 4.334 -15.701) 17.935 3.592 ( 5.866 3.387 4.039) 7.887 3.745 ( 5.366 3.098 9.234) 11.120 4.385 ( 1.385 0.799 0.292) 1.625 5.286 ( -6.647 -3.838 -5.697) 9.559 9.689 ( -10.182 -5.878 -0.462) 11.766 11.143 ( -17.225 -9.945 3.035) 20.120 11.693 ( -1.334 -0.770 -27.252) 27.295 12.425 ( 2.347 1.355 0.243) 2.721 14.140 ( 0.110 0.064 19.581) 19.581 14.783 ( 9.550 5.514 14.879) 18.520======================= Grid point 245 (32/165) =======================q-point: ( 0.27 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.916 ( 17.792 10.272 11.482) 23.535 2.184 ( 19.332 11.161 0.102) 22.323 2.746 ( -0.134 -0.077 -12.964) 12.965 3.312 ( 23.716 13.693 2.003) 27.458 3.629 ( 0.418 0.241 -17.005) 17.012 3.731 ( 5.864 3.385 2.647) 7.270 3.835 ( 2.757 1.592 13.091) 13.473 4.512 ( 8.595 4.963 1.820) 10.091 5.169 ( -2.938 -1.696 -4.424) 5.575 9.417 ( -12.854 -7.421 -0.917) 14.870 10.792 ( -12.010 -6.934 -1.603) 13.960 11.615 ( -5.281 -3.049 -18.671) 19.642 12.491 ( 3.257 1.881 1.047) 3.904 14.159 ( 1.235 0.713 13.942) 14.015 15.002 ( 8.468 4.889 8.627) 13.039======================= Grid point 246 (33/165) =======================q-point: ( 0.33 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.315 ( 15.959 9.214 9.637) 20.796 2.612 ( 17.253 9.961 -0.064) 19.923 2.739 ( -0.451 -0.261 -11.610) 11.621 3.575 ( -4.947 -2.856 -7.620) 9.523 3.663 ( 4.493 2.594 -4.244) 6.703 3.858 ( 4.792 2.767 1.105) 5.643 4.006 ( 14.025 8.097 6.868) 17.591 4.734 ( 9.444 5.452 1.753) 11.045 5.158 ( 1.931 1.115 -0.145) 2.234 9.106 ( -13.244 -7.646 -0.420) 15.299 10.589 ( -5.395 -3.115 -3.399) 7.097 11.461 ( -7.526 -4.345 -12.930) 15.579 12.572 ( 3.470 2.003 1.302) 4.213 14.191 ( 1.395 0.806 10.004) 10.132 15.159 ( 4.721 2.726 4.245) 6.909======================= Grid point 247 (34/165) =======================q-point: ( 0.40 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.621 ( 6.877 3.971 -2.128) 8.222 2.749 ( 4.252 2.455 0.493) 4.935 2.986 ( 14.473 8.356 0.744) 16.728 3.405 ( -8.868 -5.120 -4.715) 11.274 3.702 ( 0.838 0.484 -3.035) 3.186 3.947 ( 2.636 1.522 -0.640) 3.110 4.323 ( 10.813 6.243 0.654) 12.503 4.926 ( 6.586 3.802 0.256) 7.609 5.244 ( 4.782 2.761 5.614) 7.874 8.826 ( -10.047 -5.801 0.532) 11.613 10.535 ( 0.584 0.337 -2.225) 2.325 11.279 ( -7.561 -4.365 -9.632) 13.000 12.645 ( 2.566 1.482 1.267) 3.223 14.224 ( 1.448 0.836 7.960) 8.134 15.220 ( 0.458 0.265 -0.232) 0.578======================= Grid point 248 (35/165) =======================q-point: ( 0.47 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.609 ( -3.875 -2.237 -12.132) 12.931 2.952 ( 8.903 5.140 11.598) 15.498 3.179 ( -9.203 -5.314 -0.216) 10.629 3.276 ( 8.715 5.032 -4.846) 11.170 3.733 ( 2.280 1.316 -0.673) 2.717 3.974 ( -0.353 -0.204 -2.639) 2.670 4.492 ( 3.900 2.252 0.181) 4.507 5.032 ( 2.380 1.374 -1.625) 3.193 5.347 ( 3.288 1.898 9.614) 10.336 8.663 ( -3.397 -1.961 1.437) 4.178 10.598 ( 4.020 2.321 1.028) 4.754 11.135 ( -3.842 -2.218 -8.421) 9.518 12.684 ( 0.697 0.402 1.073) 1.341 14.256 ( 1.215 0.701 7.492) 7.622 15.186 ( -3.173 -1.832 -4.860) 6.086======================= Grid point 249 (36/165) =======================q-point: (-0.47 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.480 ( -7.097 -4.097 -10.509) 13.326 2.953 ( -9.692 -5.596 -6.458) 12.921 3.120 ( 5.375 3.103 11.905) 13.426 3.394 ( 1.042 0.601 -2.427) 2.708 3.831 ( 6.013 3.472 2.640) 7.428 3.929 ( -3.478 -2.008 -4.814) 6.269 4.513 ( -2.176 -1.257 2.360) 3.448 5.039 ( -1.697 -0.980 -3.373) 3.901 5.373 ( -1.207 -0.697 11.201) 11.287 8.678 ( 4.693 2.709 1.967) 5.765 10.671 ( 1.502 0.867 3.377) 3.797 11.153 ( 6.067 3.503 -7.212) 10.054 12.674 ( -1.610 -0.930 0.704) 1.988 14.275 ( 0.230 0.133 8.279) 8.284 15.081 ( -5.563 -3.212 -8.973) 11.036======================= Grid point 250 (37/165) =======================q-point: (-0.40 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.277 ( -10.246 -5.916 -7.796) 14.169 2.720 ( -10.495 -6.059 -7.748) 14.384 3.208 ( 2.361 1.363 11.931) 12.239 3.360 ( -3.034 -1.752 -5.529) 6.545 3.817 ( -5.977 -3.451 -6.933) 9.782 3.983 ( 6.319 3.649 4.822) 8.746 4.379 ( -9.606 -5.546 5.855) 12.543 4.956 ( -5.499 -3.175 -3.512) 7.256 5.307 ( -3.652 -2.109 9.812) 10.680 8.872 ( 11.394 6.578 2.141) 13.329 10.689 ( 0.957 0.552 2.782) 2.993 11.389 ( 12.904 7.450 -4.946) 15.700 12.611 ( -3.680 -2.125 0.072) 4.250 14.259 ( -1.801 -1.040 10.005) 10.219 14.936 ( -6.565 -3.790 -11.370) 13.665======================= Grid point 251 (38/165) =======================q-point: (-0.33 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.004 ( -13.027 -7.521 -4.114) 15.595 2.447 ( -13.235 -7.641 -5.987) 16.414 3.239 ( 0.429 0.248 11.523) 11.533 3.279 ( -3.665 -2.116 -11.370) 12.132 3.657 ( -7.529 -4.347 -8.736) 12.325 4.041 ( -14.947 -8.630 8.336) 19.168 4.126 ( 1.559 0.900 7.083) 7.309 4.772 ( -10.121 -5.843 -0.086) 11.687 5.245 ( -1.073 -0.619 4.291) 4.466 9.185 ( 14.762 8.523 2.383) 17.212 10.742 ( 3.803 2.196 2.285) 4.951 11.716 ( 14.447 8.341 -5.508) 17.567 12.509 ( -4.843 -2.796 -0.935) 5.669 14.186 ( -4.390 -2.534 12.713) 13.687 14.781 ( -6.644 -3.836 -10.771) 13.224======================= Grid point 252 (39/165) =======================q-point: (-0.27 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.674 ( -15.005 -8.663 0.316) 17.329 2.093 ( -17.001 -9.816 -2.762) 19.825 3.176 ( -6.451 -3.724 -15.502) 17.198 3.236 ( -0.589 -0.340 10.303) 10.325 3.473 ( -7.973 -4.603 -9.791) 13.440 3.565 ( -22.226 -12.832 12.216) 28.423 4.183 ( 0.553 0.319 6.442) 6.473 4.512 ( -10.729 -6.194 1.022) 12.431 5.263 ( 2.528 1.460 -0.358) 2.941 9.532 ( 14.284 8.247 3.204) 16.802 10.867 ( 6.723 3.882 1.098) 7.841 12.048 ( 13.665 7.890 -9.133) 18.232 12.395 ( -4.573 -2.640 -2.394) 5.798 14.062 ( -5.756 -3.323 18.548) 19.703 14.625 ( -6.748 -3.896 -7.355) 10.715======================= Grid point 253 (40/165) =======================q-point: (-0.20 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.311 ( -15.734 -9.084 5.427) 18.961 1.656 ( -20.096 -11.603 0.683) 23.215 2.797 ( -26.702 -15.417 9.129) 32.156 3.195 ( -8.343 -4.817 -10.123) 13.975 3.204 ( -3.035 -1.752 2.944) 4.577 3.305 ( -5.266 -3.041 -4.626) 7.641 4.063 ( -10.824 -6.249 7.216) 14.432 4.386 ( 0.658 0.380 -1.296) 1.502 5.354 ( 5.015 2.896 -2.791) 6.429 9.829 ( 10.649 6.148 4.661) 13.150 11.039 ( 7.292 4.210 -3.750) 9.217 12.306 ( -2.814 -1.624 -4.139) 5.262 12.334 ( 9.924 5.729 -15.761) 19.486 13.958 ( -1.447 -0.836 33.471) 33.513 14.464 ( -6.944 -4.009 -3.029) 8.571======================= Grid point 254 (41/165) =======================q-point: (-0.13 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.952 ( -14.522 -8.385 11.895) 20.560 1.170 ( -20.855 -12.041 6.321) 24.897 2.098 ( -31.284 -18.062 22.034) 42.313 3.027 ( -6.815 -3.935 -16.410) 18.199 3.076 ( -6.410 -3.701 -10.642) 12.963 3.254 ( -0.304 -0.175 6.984) 6.993 3.778 ( -12.549 -7.245 3.932) 15.014 4.477 ( 6.929 4.000 0.244) 8.005 5.487 ( 6.202 3.581 -2.629) 7.629 10.019 ( 5.619 3.244 6.044) 8.867 11.145 ( -0.795 -0.459 -18.116) 18.140 12.269 ( -0.432 -0.250 -5.531) 5.554 12.446 ( -1.402 -0.809 -19.834) 19.900 14.110 ( 14.189 8.192 49.096) 51.758 14.334 ( 0.449 0.260 12.126) 12.137======================= Grid point 255 (42/165) =======================q-point: (-0.07 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.662 ( -9.313 -5.377 21.104) 23.686 0.736 ( -14.141 -8.164 19.625) 25.530 1.387 ( -28.048 -16.193 33.380) 46.510 2.884 ( -4.986 -2.879 -16.653) 17.620 2.939 ( -5.127 -2.960 -12.999) 14.283 3.263 ( 0.922 0.532 7.627) 7.701 3.491 ( -11.699 -6.754 1.921) 13.644 4.738 ( 15.863 9.159 -1.080) 18.349 5.659 ( 9.813 5.665 6.190) 12.912 10.097 ( 1.235 0.713 6.367) 6.525 10.809 ( -31.839 -18.382 -33.944) 50.038 12.280 ( 1.173 0.677 -5.810) 5.966 12.349 ( -3.497 -2.019 -7.743) 8.733 14.126 ( -4.084 -2.358 1.604) 4.982 15.181 ( 66.720 38.521 76.111) 108.297======================= Grid point 257 (43/165) =======================q-point: ( 0.07 0.07 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.938 ( 13.839 12.387 16.180) 24.633 1.047 ( 12.561 20.527 7.587) 25.233 1.855 ( 13.794 31.720 24.320) 42.284 2.839 ( -5.683 5.618 -14.573) 16.620 3.163 ( 11.046 6.726 -11.674) 17.422 3.327 ( 7.276 -0.960 4.772) 8.755 3.641 ( 1.069 13.582 2.837) 13.916 4.517 ( -6.083 -8.821 1.256) 10.789 5.516 ( -4.917 -6.724 -2.100) 8.591 9.993 ( -7.247 -2.278 3.735) 8.465 11.225 ( 13.727 5.157 -24.513) 28.564 12.039 ( -19.789 -5.168 -7.150) 21.667 12.441 ( 0.369 8.088 -9.407) 12.411 14.175 ( -0.438 -0.404 14.010) 14.022 14.545 ( 0.505 -24.155 50.986) 56.421======================= Grid point 258 (44/165) =======================q-point: ( 0.13 0.07 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.328 ( 15.365 13.515 13.905) 24.741 1.522 ( 17.330 18.440 1.141) 25.332 2.458 ( 20.185 26.500 13.964) 36.120 2.812 ( -3.961 5.393 -13.748) 15.290 3.409 ( 10.650 2.660 -1.193) 11.042 3.474 ( 8.329 1.914 -6.886) 10.975 3.793 ( 0.906 12.356 6.477) 13.980 4.388 ( -1.894 -1.914 -0.181) 2.698 5.356 ( -6.155 -5.283 -5.035) 9.547 9.813 ( -9.427 -4.504 1.069) 10.502 11.283 ( -5.783 -10.879 0.436) 12.328 11.675 ( -8.866 -5.844 -20.786) 23.341 12.508 ( -2.449 9.265 -7.131) 11.945 14.134 ( 0.441 -1.519 24.796) 24.846 14.612 ( 12.354 -0.290 15.880) 20.122======================= Grid point 259 (45/165) =======================q-point: ( 0.20 0.07 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.743 ( 15.901 13.774 11.656) 24.050 1.999 ( 16.990 15.742 -0.261) 23.163 2.804 ( -3.205 5.325 -12.955) 14.368 3.068 ( 21.582 19.664 4.952) 29.614 3.591 ( 8.446 -0.939 5.536) 10.142 3.609 ( 4.358 3.052 -15.068) 15.980 3.906 ( -1.217 9.662 9.281) 13.453 4.429 ( 5.599 3.608 1.273) 6.781 5.212 ( -4.627 -3.323 -5.075) 7.630 9.568 ( -12.038 -6.677 -0.296) 13.769 10.955 ( -14.661 -8.272 1.259) 16.881 11.560 ( 0.832 -10.455 -18.176) 20.985 12.556 ( -2.353 9.081 -3.615) 10.053 14.156 ( 0.945 1.999 16.320) 16.469 14.845 ( 12.510 0.966 9.667) 15.839======================= Grid point 260 (46/165) =======================q-point: ( 0.27 0.07 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.154 ( 15.210 12.817 10.223) 22.364 2.428 ( 15.363 12.119 -1.574) 19.631 2.807 ( -2.810 6.305 -10.787) 12.807 3.531 ( 11.949 4.747 1.510) 12.946 3.620 ( -0.627 -0.075 -15.710) 15.722 3.802 ( 10.677 8.312 4.308) 14.201 3.958 ( -0.931 7.475 8.801) 11.585 4.621 ( 9.439 5.612 2.279) 11.215 5.145 ( -0.331 -0.687 -2.609) 2.718 9.265 ( -13.563 -7.927 -0.380) 15.714 10.676 ( -9.216 -4.698 -2.415) 10.622 11.445 ( -1.093 -11.987 -12.247) 17.172 12.615 ( -1.196 8.674 -1.184) 8.836 14.193 ( 0.367 2.806 10.465) 10.841 15.044 ( 9.521 -0.589 6.035) 11.288======================= Grid point 261 (47/165) =======================q-point: ( 0.33 0.07 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.522 ( 12.353 10.824 8.311) 18.408 2.705 ( 4.586 1.710 -8.976) 10.224 2.907 ( 6.338 13.695 -0.424) 15.096 3.505 ( -6.433 -3.305 -3.082) 7.862 3.679 ( 2.253 0.582 -6.096) 6.525 3.969 ( -0.277 6.912 1.223) 7.025 4.182 ( 12.933 8.261 2.205) 15.503 4.833 ( 8.323 4.124 1.468) 9.404 5.183 ( 3.997 1.123 2.413) 4.802 8.955 ( -12.107 -7.452 0.313) 14.220 10.540 ( -2.497 -1.916 -2.786) 4.204 11.286 ( -2.907 -11.686 -8.517) 14.750 12.684 ( -0.884 8.093 -0.055) 8.141 14.226 ( 0.246 2.735 7.371) 7.866 15.158 ( 5.219 -2.687 2.074) 6.225======================= Grid point 262 (48/165) =======================q-point: ( 0.40 0.07 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.672 ( -3.265 1.756 -11.406) 11.993 2.848 ( 9.885 6.575 10.230) 15.671 3.187 ( 7.869 9.705 6.364) 14.022 3.330 ( -9.397 -0.813 -9.161) 13.149 3.712 ( 1.383 0.848 -2.474) 2.958 4.013 ( -1.557 4.571 -1.128) 4.959 4.421 ( 7.213 3.301 -0.413) 7.943 4.981 ( 5.039 1.667 -0.411) 5.324 5.283 ( 5.237 0.816 7.368) 9.077 8.719 ( -6.854 -4.846 1.189) 8.478 10.542 ( 3.280 0.145 -0.502) 3.321 11.124 ( -2.252 -10.162 -6.703) 12.381 12.738 ( -1.998 7.167 0.248) 7.445 14.259 ( 0.383 2.606 6.344) 6.869 15.174 ( 0.929 -4.601 -2.380) 5.263======================= Grid point 263 (49/165) =======================q-point: ( 0.47 0.07 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.587 ( -6.917 0.138 -10.385) 12.478 3.054 ( 6.206 4.368 11.330) 13.637 3.103 ( -10.580 -1.487 -2.773) 11.038 3.397 ( 1.991 6.269 -3.557) 7.477 3.770 ( 4.007 2.502 0.894) 4.808 4.000 ( -4.064 2.585 -3.434) 5.915 4.509 ( 1.495 -0.554 0.821) 1.793 5.039 ( 0.891 -0.540 -2.357) 2.577 5.350 ( 2.253 -1.822 10.039) 10.449 8.637 ( 1.074 -0.676 1.818) 2.218 10.626 ( 4.428 0.390 3.033) 5.382 11.040 ( 4.045 -6.777 -6.395) 10.158 12.753 ( -4.019 5.893 0.072) 7.133 14.290 ( -0.032 2.843 6.801) 7.371 15.104 ( -2.416 -6.068 -6.768) 9.406======================= Grid point 265 (50/165) =======================q-point: (-0.47 0.07 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.434 ( -10.472 -0.384 -7.853) 13.095 2.879 ( -12.045 -1.886 -6.799) 13.959 3.183 ( 3.289 2.922 11.353) 12.175 3.411 ( -3.496 1.099 -3.696) 5.205 3.866 ( 0.477 -0.386 -1.963) 2.056 3.954 ( -0.970 4.550 -0.268) 4.660 4.460 ( -4.909 -3.763 3.708) 7.211 5.005 ( -3.127 -2.126 -3.627) 5.240 5.320 ( -1.530 -4.414 10.391) 11.392 8.743 ( 8.978 3.529 2.019) 9.856 10.669 ( 1.407 -0.780 3.528) 3.878 11.159 ( 14.210 -3.030 -4.391) 15.178 12.717 ( -6.061 4.853 -0.491) 7.780 14.308 ( -1.885 3.405 8.315) 9.181 14.977 ( -4.244 -6.943 -10.087) 12.960======================= Grid point 266 (51/165) =======================q-point: (-0.40 0.07 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.211 ( -14.354 -0.607 -4.391) 15.023 2.631 ( -13.820 -2.803 -7.193) 15.830 3.238 ( 0.888 1.069 9.083) 9.188 3.334 ( -4.815 -0.506 -5.475) 7.309 3.758 ( -7.539 -2.337 -8.417) 11.539 4.056 ( 3.885 3.063 5.040) 7.062 4.251 ( -12.824 -6.376 7.515) 16.173 4.878 ( -7.874 -4.439 -1.468) 9.158 5.243 ( -1.236 -3.828 6.490) 7.636 9.003 ( 14.303 6.203 2.000) 15.718 10.700 ( 2.876 0.651 2.744) 4.028 11.420 ( 18.401 -4.454 -3.349) 19.226 12.647 ( -7.367 5.296 -1.589) 9.212 14.283 ( -5.300 3.643 10.681) 12.467 14.827 ( -4.588 -6.714 -10.989) 13.670======================= Grid point 267 (52/165) =======================q-point: (-0.33 0.07 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.921 ( -17.666 -0.729 -0.240) 17.683 2.325 ( -17.250 -4.161 -4.762) 18.373 3.214 ( -2.882 -4.089 -11.667) 12.694 3.269 ( -2.686 2.114 8.882) 9.517 3.585 ( -9.195 -2.810 -9.953) 13.838 3.851 ( -20.376 -8.206 9.826) 24.064 4.160 ( 2.215 1.283 6.533) 7.017 4.647 ( -11.420 -6.169 1.581) 13.076 5.222 ( 1.956 -1.498 0.954) 2.642 9.340 ( 15.877 6.434 2.256) 17.279 10.794 ( 5.832 2.982 2.206) 6.912 11.679 ( 18.969 -10.448 -5.174) 22.266 12.584 ( -7.165 8.292 -3.757) 11.585 14.194 ( -8.479 3.131 14.554) 17.133 14.687 ( -4.840 -4.701 -8.565) 10.903======================= Grid point 268 (53/165) =======================q-point: (-0.27 0.07 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.585 ( -19.692 -0.326 4.412) 20.183 1.941 ( -21.199 -4.789 -1.746) 21.803 3.059 ( -12.392 -6.864 -10.284) 17.505 3.190 ( -8.200 -8.387 3.622) 12.275 3.344 ( -10.851 -0.237 9.087) 14.155 3.492 ( -12.434 1.914 -7.569) 14.682 4.150 ( -4.410 -3.939 7.619) 9.644 4.416 ( -6.451 -2.895 -0.018) 7.070 5.277 ( 5.014 -0.187 -2.293) 5.516 9.661 ( 13.923 3.975 3.053) 14.798 10.960 ( 7.929 5.319 0.447) 9.559 11.856 ( 17.253 -17.369 -8.056) 25.773 12.575 ( -4.997 10.367 -8.387) 14.241 14.073 ( -8.128 3.867 23.412) 25.082 14.558 ( -6.387 -1.469 -4.149) 7.757======================= Grid point 269 (54/165) =======================q-point: (-0.20 0.07 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.238 ( -19.978 1.465 9.809) 22.304 1.496 ( -24.182 -3.600 1.531) 24.496 2.524 ( -32.006 -9.839 14.850) 36.629 2.985 ( -3.615 -10.411 -13.242) 17.228 3.271 ( -6.377 5.196 3.631) 8.992 3.353 ( -8.150 5.233 -8.485) 12.876 3.923 ( -11.989 -7.072 6.230) 15.250 4.396 ( 3.589 0.149 -0.745) 3.669 5.385 ( 7.084 0.011 -3.773) 8.026 9.889 ( 9.833 -0.604 3.891) 10.592 11.156 ( 5.669 7.563 -6.427) 11.430 11.952 ( 15.196 -18.517 -9.342) 25.711 12.571 ( -5.181 3.248 -14.250) 15.506 14.050 ( 0.965 7.348 38.537) 39.243 14.439 ( -7.393 3.317 2.540) 8.492======================= Grid point 274 (55/165) =======================q-point: ( 0.13 0.13 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.632 ( 14.026 15.944 9.497) 23.262 1.910 ( 13.108 19.279 -1.360) 23.352 2.938 ( -0.951 10.200 -13.084) 16.617 3.009 ( 7.291 22.270 6.910) 24.431 3.435 ( 8.953 1.752 9.284) 13.016 3.552 ( 6.932 5.259 -13.489) 16.052 4.037 ( -1.608 10.373 8.119) 13.271 4.394 ( 2.303 3.155 0.425) 3.929 5.256 ( -4.552 -4.330 -4.177) 7.545 9.675 ( -8.627 -9.538 1.439) 12.941 11.053 ( -4.705 -11.046 2.555) 12.275 11.551 ( -13.789 -6.043 -13.401) 20.155 12.662 ( 0.899 5.084 -9.290) 10.629 14.148 ( 4.107 3.398 21.241) 21.900 14.628 ( 11.020 1.381 4.312) 11.914======================= Grid point 275 (56/165) =======================q-point: ( 0.20 0.13 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.037 ( 14.111 14.670 8.990) 22.252 2.322 ( 13.030 15.643 -2.593) 20.523 2.948 ( -4.180 8.401 -10.598) 14.155 3.387 ( 11.129 8.742 1.557) 14.237 3.594 ( 4.913 2.494 -7.835) 9.578 3.731 ( 7.449 10.653 1.898) 13.137 4.078 ( -2.840 6.782 8.177) 10.996 4.536 ( 6.873 7.013 2.593) 10.156 5.157 ( -2.515 -2.019 -3.502) 4.761 9.397 ( -11.266 -10.473 0.381) 15.387 10.808 ( -10.831 -6.368 0.695) 12.584 11.336 ( -2.887 -10.910 -9.758) 14.919 12.725 ( -0.374 7.025 -5.183) 8.738 14.233 ( 0.259 5.704 10.217) 11.704 14.832 ( 11.955 -2.070 5.448) 13.300======================= Grid point 276 (57/165) =======================q-point: ( 0.27 0.13 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.414 ( 13.080 12.234 8.714) 19.917 2.648 ( 7.767 9.514 -6.860) 14.068 2.996 ( -0.357 11.580 -3.189) 12.017 3.526 ( 1.673 -1.560 3.766) 4.406 3.665 ( 1.072 3.447 -13.938) 14.398 4.029 ( 9.000 11.549 1.308) 14.700 4.105 ( 0.088 6.855 6.208) 9.248 4.735 ( 7.675 5.576 3.044) 9.963 5.136 ( 1.547 -0.382 -0.696) 1.739 9.083 ( -11.988 -10.197 0.577) 15.749 10.597 ( -7.007 -3.216 -1.782) 7.913 11.183 ( -1.149 -13.116 -5.129) 14.131 12.795 ( -0.697 8.620 -2.576) 9.024 14.277 ( -1.477 5.478 4.794) 7.428 14.988 ( 9.390 -4.646 3.803) 11.145======================= Grid point 277 (58/165) =======================q-point: ( 0.33 0.13 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.735 ( 11.055 8.989 9.176) 16.947 2.753 ( -1.845 3.741 -10.791) 11.569 3.185 ( 5.363 12.101 6.582) 14.783 3.477 ( -5.577 1.933 -4.525) 7.437 3.707 ( 0.507 2.153 -5.997) 6.392 4.116 ( -2.751 7.395 1.013) 7.955 4.317 ( 8.865 4.719 -1.094) 10.102 4.899 ( 6.150 2.504 1.648) 6.841 5.194 ( 4.785 -0.340 3.768) 6.100 8.797 ( -9.129 -8.102 1.273) 12.272 10.506 ( -0.576 -1.482 -1.052) 1.906 11.029 ( -1.061 -13.051 -2.700) 13.369 12.867 ( -1.899 9.444 -1.374) 9.731 14.302 ( -1.357 4.651 3.096) 5.749 15.061 ( 5.298 -6.544 0.230) 8.423======================= Grid point 278 (59/165) =======================q-point: ( 0.40 0.13 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.713 ( -5.625 2.454 -8.908) 10.817 2.978 ( 8.000 5.479 10.229) 14.095 3.260 ( -6.097 0.808 6.792) 9.163 3.482 ( -1.543 12.056 -9.820) 15.625 3.743 ( 1.887 2.288 -0.482) 3.005 4.120 ( -4.569 5.721 -2.159) 7.633 4.454 ( 4.268 0.034 -0.835) 4.349 4.997 ( 3.409 0.010 -0.662) 3.473 5.267 ( 4.301 -2.582 7.274) 8.836 8.626 ( -2.572 -4.293 1.868) 5.341 10.538 ( 4.732 -0.436 1.961) 5.141 10.898 ( 1.140 -11.515 -2.282) 11.794 12.909 ( -4.264 9.070 -1.151) 10.088 14.331 ( -0.458 4.582 3.582) 5.833 15.043 ( 1.181 -7.977 -4.006) 9.004======================= Grid point 279 (60/165) =======================q-point: (-0.53 0.13 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.613 ( -8.466 2.320 -6.220) 10.758 3.068 ( -6.749 -0.703 1.207) 6.892 3.166 ( -0.127 4.774 7.213) 8.651 3.517 ( -5.107 5.426 -5.195) 9.083 3.832 ( 3.616 3.348 1.528) 5.159 4.074 ( -5.918 4.651 -4.118) 8.580 4.474 ( -0.507 -2.725 1.544) 3.173 5.019 ( -0.232 -1.232 -2.544) 2.836 5.272 ( 1.021 -5.657 8.847) 10.550 8.632 ( 5.646 0.047 2.056) 6.009 10.618 ( 3.525 -0.932 4.762) 5.997 10.880 ( 9.748 -8.485 -2.558) 13.174 12.897 ( -6.631 7.717 -1.485) 10.283 14.378 ( -0.467 5.874 5.176) 7.843 14.948 ( -1.879 -9.090 -7.671) 12.042======================= Grid point 280 (61/165) =======================q-point: (-0.47 0.13 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.460 ( -12.054 2.687 -2.863) 12.678 2.866 ( -13.619 0.258 -6.046) 14.903 3.227 ( 1.311 1.292 8.619) 8.813 3.445 ( -6.628 2.355 -3.222) 7.737 3.850 ( -4.056 -1.168 -5.484) 6.920 4.061 ( -0.692 5.374 1.297) 5.571 4.373 ( -7.096 -4.448 4.503) 9.509 4.956 ( -5.054 -2.781 -1.665) 6.004 5.208 ( -0.428 -5.964 6.945) 9.164 8.814 ( 12.574 3.215 1.816) 13.105 10.650 ( 2.622 -0.997 3.488) 4.476 11.046 ( 16.308 -7.234 -0.811) 17.859 12.841 ( -7.624 6.469 -2.237) 10.245 14.420 ( -3.161 7.558 7.604) 11.177 14.809 ( -2.749 -9.253 -9.678) 13.669======================= Grid point 281 (62/165) =======================q-point: (-0.40 0.13 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.240 ( -16.316 2.996 1.247) 16.636 2.604 ( -16.511 -0.001 -6.252) 17.655 3.215 ( -2.012 -3.335 -2.505) 4.631 3.367 ( -4.822 3.512 3.680) 7.009 3.718 ( -7.982 -1.682 -10.995) 13.690 4.060 ( -8.492 -3.320 4.776) 10.293 4.180 ( -5.462 0.254 7.802) 9.527 4.780 ( -9.936 -4.968 2.063) 11.299 5.169 ( 1.343 -3.120 1.428) 3.685 9.110 ( 16.159 3.927 1.481) 16.695 10.716 ( 5.325 0.694 2.600) 5.966 11.258 ( 16.655 -9.575 -2.199) 19.336 12.775 ( -6.702 5.871 -3.658) 9.631 14.390 ( -8.162 5.228 9.926) 13.874 14.696 ( -1.553 -4.310 -7.713) 8.971======================= Grid point 282 (63/165) =======================q-point: (-0.33 0.13 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.954 ( -19.623 3.251 5.374) 20.603 2.284 ( -20.036 0.100 -3.877) 20.408 3.102 ( -4.277 -6.852 -11.949) 14.423 3.318 ( -7.107 2.368 6.227) 9.742 3.550 ( -10.465 0.118 -7.216) 12.712 3.744 ( -16.495 -2.421 4.267) 17.209 4.160 ( -1.144 -1.804 7.502) 7.800 4.544 ( -10.810 -3.306 2.439) 11.564 5.188 ( 3.570 -1.737 -2.120) 4.501 9.427 ( 15.853 1.675 1.415) 16.004 10.853 ( 8.696 1.828 2.480) 9.226 11.424 ( 14.509 -11.343 -6.866) 19.655 12.727 ( -4.809 4.019 -6.274) 8.868 14.262 ( -8.897 1.347 13.467) 16.196 14.655 ( -3.621 3.744 -1.901) 5.545======================= Grid point 290 (64/165) =======================q-point: ( 0.20 0.20 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.316 ( 12.230 12.473 5.892) 18.436 2.619 ( 9.140 13.539 -5.479) 17.229 3.121 ( -2.000 7.957 -4.448) 9.332 3.451 ( 5.591 0.995 4.718) 7.383 3.689 ( 2.007 5.952 -13.446) 14.841 4.003 ( 6.363 13.061 3.861) 15.033 4.179 ( 0.162 3.865 6.723) 7.756 4.706 ( 3.697 9.292 3.923) 10.742 5.128 ( -1.471 -0.963 -1.557) 2.348 9.146 ( -8.756 -13.864 0.959) 16.425 10.694 ( -7.027 -4.800 0.870) 8.554 11.125 ( -7.643 -10.075 -2.941) 12.983 12.845 ( 3.603 5.211 -4.006) 7.496 14.380 ( -1.144 8.436 3.156) 9.079 14.766 ( 9.079 -4.319 2.533) 10.368======================= Grid point 291 (65/165) =======================q-point: ( 0.27 0.20 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.626 ( 10.719 8.327 5.390) 14.604 2.827 ( 1.224 8.343 -7.090) 11.017 3.220 ( 3.312 8.799 6.506) 11.433 3.534 ( 2.078 3.430 -0.358) 4.027 3.750 ( -0.978 4.923 -9.446) 10.696 4.221 ( 7.152 5.956 -2.111) 9.544 4.232 ( -0.787 6.708 3.642) 7.673 4.846 ( 3.544 5.322 4.181) 7.640 5.123 ( 2.041 -1.112 0.437) 2.365 8.858 ( -8.711 -11.540 1.448) 14.531 10.542 ( -5.399 -2.194 -0.335) 5.837 10.927 ( -2.768 -12.000 0.867) 12.346 12.960 ( 1.882 7.692 -2.469) 8.294 14.408 ( -3.987 7.161 -1.175) 8.280 14.867 ( 8.427 -7.028 2.344) 11.221======================= Grid point 292 (66/165) =======================q-point: ( 0.33 0.20 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.810 ( 0.100 3.176 -4.395) 5.424 2.909 ( 4.313 6.404 5.759) 9.632 3.329 ( 0.074 3.102 10.262) 10.721 3.638 ( 1.010 12.268 -6.501) 13.920 3.763 ( -2.061 3.445 -4.448) 5.991 4.260 ( -3.661 6.140 -1.269) 7.261 4.371 ( 5.442 1.113 -2.494) 6.089 4.938 ( 3.233 1.416 2.149) 4.132 5.162 ( 3.975 -2.916 3.594) 6.101 8.634 ( -4.979 -7.643 2.088) 9.358 10.480 ( 0.404 -1.078 1.207) 1.668 10.777 ( -0.770 -11.485 2.162) 11.712 13.054 ( -1.135 8.743 -1.878) 9.014 14.409 ( -2.783 5.778 -0.826) 6.466 14.906 ( 4.757 -8.349 -1.178) 9.681======================= Grid point 293 (67/165) =======================q-point: ( 0.40 0.20 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.771 ( -6.173 3.272 -3.950) 8.026 3.045 ( 4.605 0.911 8.212) 9.459 3.302 ( -5.326 3.191 5.547) 8.325 3.700 ( -7.351 7.656 -7.910) 13.237 3.820 ( 3.151 6.277 1.387) 7.159 4.229 ( -5.456 4.291 -5.149) 8.642 4.434 ( 1.933 -1.257 -0.029) 2.306 4.991 ( 2.139 -0.245 -0.451) 2.200 5.179 ( 2.611 -5.835 5.963) 8.742 8.549 ( 1.878 -3.146 2.374) 4.366 10.529 ( 5.311 -0.265 4.368) 6.881 10.678 ( 2.475 -9.823 1.183) 10.199 13.085 ( -5.049 7.798 -1.963) 9.495 14.443 ( -0.169 6.330 1.036) 6.416 14.864 ( 0.695 -9.359 -4.820) 10.551======================= Grid point 295 (68/165) =======================q-point: (-0.53 0.20 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.676 ( -8.778 3.686 -1.421) 9.626 3.040 ( -4.845 -2.315 0.386) 5.383 3.260 ( -3.101 4.253 8.176) 9.724 3.611 ( -8.627 3.747 -4.836) 10.575 3.886 ( -1.177 1.282 -1.093) 2.055 4.180 ( -5.013 5.377 -5.167) 8.985 4.412 ( -2.163 -2.927 2.180) 4.242 4.996 ( -1.654 -1.200 -0.577) 2.123 5.140 ( 0.917 -6.290 5.789) 8.598 8.636 ( 9.343 0.302 2.156) 9.593 10.588 ( 2.349 -2.566 4.110) 5.385 10.728 ( 12.141 -5.213 1.737) 13.326 13.039 ( -7.600 5.628 -2.291) 9.731 14.527 ( 0.634 8.719 3.253) 9.328 14.749 ( -2.084 -10.199 -7.074) 12.586======================= Grid point 296 (69/165) =======================q-point: (-0.47 0.20 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.531 ( -12.465 4.169 1.962) 13.289 2.867 ( -12.044 -0.738 -5.568) 13.289 3.237 ( -3.307 -0.176 6.168) 7.000 3.500 ( -6.696 2.696 -1.111) 7.303 3.814 ( -5.172 -2.528 -7.963) 9.825 4.154 ( -4.502 3.628 -0.392) 5.795 4.298 ( -7.085 -2.829 4.488) 8.851 4.888 ( -7.125 -3.686 3.434) 8.726 5.117 ( 1.259 -2.190 1.115) 2.761 8.862 ( 14.684 1.305 1.574) 14.825 10.618 ( 4.650 -2.797 1.814) 5.721 10.920 ( 13.788 -3.605 1.492) 14.330 12.947 ( -7.653 3.361 -2.876) 8.839 14.551 ( -6.678 -2.140 1.280) 7.129 14.672 ( 2.199 3.352 -2.296) 4.620======================= Grid point 307 (70/165) =======================q-point: ( 0.27 0.27 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.757 ( 7.736 5.053 1.748) 9.404 2.972 ( -1.723 5.335 -0.859) 5.672 3.325 ( 3.631 2.580 9.762) 10.730 3.664 ( 5.872 7.648 -3.050) 10.113 3.861 ( -1.113 5.847 -5.483) 8.092 4.277 ( 4.834 0.256 -5.569) 7.378 4.361 ( 0.105 5.357 1.583) 5.587 4.945 ( -0.914 4.251 4.420) 6.200 5.089 ( 0.583 -2.153 0.986) 2.439 8.640 ( -5.406 -9.315 2.197) 10.992 10.511 ( -4.676 -0.750 1.450) 4.953 10.702 ( -3.561 -9.967 4.552) 11.521 13.105 ( 4.271 6.376 -2.239) 7.994 14.552 ( -6.273 6.458 -4.960) 10.279 14.720 ( 7.242 -6.917 1.407) 10.113======================= Grid point 308 (71/165) =======================q-point: ( 0.33 0.27 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.878 ( -0.430 3.562 -0.301) 3.600 2.984 ( 1.604 0.907 5.517) 5.817 3.376 ( -0.383 1.979 7.437) 7.706 3.805 ( 1.496 2.976 2.006) 3.888 3.920 ( -1.763 11.933 -8.002) 14.475 4.278 ( -0.123 -4.402 -5.745) 7.239 4.438 ( 0.338 5.169 -1.542) 5.405 4.964 ( 0.562 1.364 2.522) 2.921 5.080 ( 1.918 -4.753 2.806) 5.843 8.505 ( -1.407 -4.704 2.676) 5.591 10.467 ( 0.637 -0.076 3.289) 3.351 10.578 ( -0.682 -7.692 4.760) 9.071 13.206 ( -0.296 5.844 -2.073) 6.208 14.526 ( -2.774 5.471 -2.777) 6.733 14.741 ( 3.275 -7.488 -2.303) 8.491======================= Grid point 309 (72/165) =======================q-point: (-0.60 0.27 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.842 ( -6.004 3.541 0.615) 6.997 3.023 ( 1.890 -2.577 4.597) 5.599 3.364 ( -3.061 2.288 6.995) 7.970 3.786 ( -5.615 2.114 -0.511) 6.021 3.960 ( -5.270 4.457 -4.357) 8.162 4.256 ( 1.566 -0.767 -7.293) 7.499 4.442 ( -3.577 1.627 -0.354) 3.946 4.993 ( 0.718 -0.202 1.464) 1.643 5.060 ( 1.874 -4.103 3.643) 5.798 8.505 ( 4.782 -1.139 2.676) 5.597 10.518 ( 1.425 -5.423 3.068) 6.392 10.536 ( 6.394 0.968 5.344) 8.390 13.203 ( -5.268 3.379 -2.156) 6.620 14.575 ( 1.546 5.578 -1.442) 5.966 14.687 ( -0.628 -6.687 -3.864) 7.749======================= Grid point 323 (73/165) =======================q-point: ( 0.33 0.33 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 270Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.953 ( -1.674 -3.348 3.315) 5.000 2.953 ( 1.674 3.348 3.315) 5.000 3.400 ( -0.000 -0.000 6.682) 6.682 3.835 ( -0.000 -0.000 3.126) 3.126 4.137 ( -3.974 -7.949 -6.708) 11.135 4.137 ( 3.974 7.949 -6.708) 11.135 4.502 ( -0.000 -0.000 -2.777) 2.777 5.000 ( -1.014 -2.029 2.581) 3.436 5.000 ( 1.014 2.029 2.581) 3.436 8.456 ( -0.000 -0.000 2.903) 2.903 10.481 ( -0.693 -1.385 4.762) 5.007 10.481 ( 0.693 1.385 4.762) 5.007 13.270 ( -0.000 -0.000 -2.115) 2.115 14.622 ( -1.749 -3.498 -2.974) 4.913 14.622 ( 1.749 3.498 -2.974) 4.913======================= Grid point 482 (74/165) =======================q-point: ( 0.00 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.120 ( 0.000 0.000 25.772) 25.772 1.120 ( -0.000 0.000 25.772) 25.772 1.900 ( -0.000 -0.000 44.353) 44.353 2.521 ( -0.000 0.000 -17.276) 17.276 2.521 ( 0.000 0.000 -17.276) 17.276 3.414 ( 0.000 0.000 4.242) 4.242 3.414 ( 0.000 0.000 4.242) 4.242 4.446 ( -0.000 0.000 -31.415) 31.415 6.136 ( 0.000 0.000 7.920) 7.920 10.226 ( 0.000 0.000 7.474) 7.474 10.226 ( 0.000 -0.000 7.474) 7.474 12.187 ( -0.000 0.000 -6.902) 6.902 12.187 ( 0.000 -0.000 -6.902) 6.902 14.090 ( -0.000 0.000 0.900) 0.900 16.668 ( -0.000 0.000 2.458) 2.458======================= Grid point 483 (75/165) =======================q-point: ( 0.07 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.139 ( 5.904 3.409 23.468) 24.438 1.259 ( 8.599 4.964 24.574) 26.504 2.078 ( 13.435 7.757 36.254) 39.434 2.463 ( -1.463 -0.844 -17.000) 17.083 2.698 ( 10.761 6.213 -16.899) 20.975 3.460 ( 2.641 1.525 3.205) 4.424 3.486 ( 7.012 4.049 4.837) 9.432 4.395 ( -3.848 -2.222 -25.924) 26.302 5.843 ( -19.059 -11.003 9.010) 23.780 10.127 ( -5.829 -3.365 6.863) 9.613 10.624 ( 24.235 13.992 -2.814) 28.125 12.048 ( -10.711 -6.184 -5.893) 13.700 12.246 ( 2.778 1.604 -6.339) 7.104 14.157 ( 5.352 3.090 1.280) 6.311 16.109 ( -37.109 -21.425 21.317) 47.859======================= Grid point 484 (76/165) =======================q-point: ( 0.13 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.395 ( 14.975 8.646 15.174) 23.006 1.507 ( 12.374 7.144 21.398) 25.730 2.448 ( 0.127 0.073 -15.897) 15.898 2.458 ( 17.849 10.305 20.478) 29.054 2.979 ( 12.273 7.086 -14.148) 20.025 3.537 ( 3.896 2.249 2.003) 4.924 3.703 ( 10.572 6.104 6.451) 13.807 4.313 ( -1.963 -1.133 -14.761) 14.934 5.442 ( -14.038 -8.105 2.307) 16.373 9.956 ( -8.745 -5.049 5.150) 11.335 11.100 ( 14.346 8.282 -11.237) 20.017 11.675 ( -20.085 -11.596 -0.885) 23.209 12.316 ( 3.164 1.827 -4.802) 6.034 14.301 ( 5.869 3.388 2.684) 7.289 15.375 ( -21.409 -12.360 27.194) 36.751======================= Grid point 485 (77/165) =======================q-point: ( 0.20 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.787 ( 17.700 10.219 7.564) 21.793 1.824 ( 14.434 8.333 17.211) 23.958 2.464 ( 1.172 0.677 -13.707) 13.774 2.866 ( 15.826 9.137 -1.359) 18.324 3.251 ( 11.360 6.559 -3.469) 13.568 3.639 ( 4.670 2.696 0.642) 5.431 3.933 ( 7.938 4.583 8.242) 12.327 4.351 ( 5.786 3.341 -4.651) 8.141 5.189 ( -7.594 -4.385 -2.749) 9.190 9.719 ( -11.409 -6.587 3.269) 13.573 11.138 ( -17.490 -10.098 -9.217) 22.200 11.347 ( 0.976 0.564 -1.280) 1.706 12.396 ( 3.699 2.136 -2.949) 5.190 14.389 ( 1.487 0.859 6.243) 6.475 15.117 ( -2.638 -1.523 15.031) 15.336======================= Grid point 486 (78/165) =======================q-point: ( 0.27 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.162 ( 13.563 7.831 10.149) 18.662 2.196 ( 16.803 9.701 1.758) 19.481 2.507 ( 2.953 1.705 -8.199) 8.880 3.146 ( 8.149 4.705 -19.122) 21.311 3.547 ( 13.639 7.874 9.568) 18.428 3.749 ( 4.566 2.636 -0.833) 5.337 4.043 ( 1.682 0.971 7.379) 7.630 4.560 ( 10.692 6.173 1.610) 12.451 5.100 ( 0.298 0.172 -1.274) 1.319 9.429 ( -13.171 -7.604 2.018) 15.342 10.755 ( -12.947 -7.475 -2.172) 15.107 11.339 ( -2.711 -1.565 -7.473) 8.102 12.488 ( 4.138 2.389 -1.311) 4.954 14.396 ( -0.252 -0.146 8.370) 8.375 15.137 ( 2.364 1.365 4.164) 4.979======================= Grid point 487 (79/165) =======================q-point: ( 0.33 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.384 ( 4.316 2.492 -7.205) 8.761 2.560 ( 14.062 8.119 -4.688) 16.901 2.660 ( 10.782 6.225 8.174) 14.893 3.291 ( 5.036 2.908 -13.761) 14.939 3.778 ( 2.826 1.632 10.126) 10.639 3.844 ( 3.391 1.958 -2.384) 4.585 4.096 ( 5.952 3.436 2.029) 7.166 4.799 ( 9.164 5.291 2.642) 10.906 5.197 ( 7.252 4.187 4.652) 9.579 9.119 ( -12.842 -7.414 1.675) 14.923 10.551 ( -4.506 -2.601 0.055) 5.203 11.232 ( -6.013 -3.472 -8.596) 11.050 12.584 ( 3.948 2.279 -0.122) 4.560 14.394 ( 0.173 0.100 8.631) 8.633 15.175 ( 0.306 0.177 -2.505) 2.529======================= Grid point 488 (80/165) =======================q-point: ( 0.40 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.418 ( -0.333 -0.192 -11.002) 11.008 2.829 ( 8.028 4.635 -13.051) 16.008 2.940 ( 11.785 6.804 11.715) 17.956 3.396 ( 4.008 2.314 1.115) 4.761 3.733 ( -3.263 -1.884 6.653) 7.645 3.899 ( 1.115 0.644 -3.974) 4.177 4.290 ( 8.276 4.778 -2.796) 9.957 4.975 ( 5.668 3.272 2.577) 7.034 5.391 ( 8.277 4.779 8.611) 12.865 8.853 ( -9.416 -5.436 1.930) 11.042 10.534 ( 2.690 1.553 2.229) 3.823 11.077 ( -6.828 -3.942 -9.036) 11.993 12.665 ( 2.774 1.602 0.631) 3.265 14.406 ( 0.883 0.510 8.620) 8.680 15.141 ( -3.148 -1.818 -6.876) 7.778======================= Grid point 489 (81/165) =======================q-point: ( 0.47 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.384 ( -2.592 -1.496 -9.683) 10.135 2.897 ( -2.219 -1.281 -15.449) 15.660 3.183 ( 8.794 5.077 11.069) 15.021 3.469 ( 1.287 0.743 12.553) 12.641 3.720 ( 3.302 1.907 -0.612) 3.862 3.889 ( -2.016 -1.164 -5.589) 6.054 4.441 ( 4.506 2.602 -4.287) 6.742 5.057 ( 1.194 0.689 2.547) 2.896 5.547 ( 4.506 2.601 9.418) 10.760 8.703 ( -3.017 -1.742 2.182) 4.111 10.651 ( 6.248 3.608 4.018) 8.258 10.940 ( -3.850 -2.223 -9.534) 10.519 12.707 ( 0.694 0.401 1.042) 1.314 14.433 ( 1.321 0.763 8.693) 8.825 15.034 ( -5.735 -3.311 -9.155) 11.299======================= Grid point 490 (82/165) =======================q-point: (-0.47 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.297 ( -4.834 -2.791 -7.216) 9.123 2.768 ( -7.689 -4.439 -10.178) 13.506 3.347 ( 5.247 3.030 10.395) 12.032 3.433 ( -4.001 -2.310 5.543) 7.216 3.803 ( -5.274 -3.045 -7.309) 9.513 3.868 ( 7.866 4.542 1.039) 9.142 4.500 ( 0.423 0.244 -3.771) 3.802 5.029 ( -3.468 -2.002 1.897) 4.432 5.586 ( -1.237 -0.714 9.044) 9.156 8.721 ( 4.621 2.668 1.984) 5.693 10.722 ( -0.740 -0.427 0.959) 1.285 10.994 ( 8.747 5.050 -7.168) 12.385 12.694 ( -1.831 -1.057 1.175) 2.419 14.464 ( 1.192 0.688 9.039) 9.144 14.887 ( -6.520 -3.765 -8.818) 11.595======================= Grid point 491 (83/165) =======================q-point: (-0.40 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.157 ( -7.055 -4.073 -3.731) 8.960 2.569 ( -9.016 -5.205 -6.476) 12.261 3.295 ( -7.550 -4.359 -0.583) 8.737 3.433 ( 2.189 1.264 9.901) 10.219 3.648 ( -7.828 -4.520 -9.276) 12.952 4.043 ( 6.613 3.818 1.423) 7.767 4.450 ( -5.163 -2.981 -0.489) 5.982 4.906 ( -6.615 -3.819 -0.315) 7.645 5.497 ( -5.889 -3.400 7.982) 10.485 8.909 ( 11.097 6.407 1.339) 12.884 10.707 ( 0.444 0.256 -0.845) 0.989 11.245 ( 11.449 6.610 -8.773) 15.866 12.623 ( -4.165 -2.405 1.061) 4.925 14.484 ( 0.503 0.291 10.079) 10.096 14.743 ( -5.555 -3.207 -5.645) 8.545======================= Grid point 492 (84/165) =======================q-point: (-0.33 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.969 ( -9.003 -5.198 0.749) 10.422 2.349 ( -10.021 -5.785 -2.963) 11.944 3.094 ( -9.264 -5.348 -6.531) 12.533 3.444 ( -8.394 -4.846 -6.975) 11.942 3.459 ( -0.856 -0.494 4.953) 5.051 4.157 ( 1.547 0.893 1.798) 2.535 4.243 ( -11.313 -6.532 4.695) 13.881 4.737 ( -7.872 -4.545 -2.663) 9.472 5.343 ( -6.328 -3.654 4.692) 8.684 9.218 ( 14.770 8.527 0.676) 17.068 10.754 ( 3.459 1.997 -1.204) 4.171 11.506 ( 10.705 6.180 -13.558) 18.347 12.506 ( -5.688 -3.284 0.665) 6.601 14.488 ( -0.004 -0.002 12.124) 12.124 14.633 ( -3.881 -2.240 -0.206) 4.486======================= Grid point 493 (85/165) =======================q-point: (-0.27 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.741 ( -10.322 -5.959 6.063) 13.372 2.088 ( -12.480 -7.205 2.930) 14.705 2.881 ( -8.652 -4.995 -13.039) 16.426 3.220 ( -9.754 -5.631 -13.006) 17.205 3.445 ( -0.982 -0.567 8.211) 8.289 3.830 ( -20.179 -11.650 12.639) 26.507 4.214 ( 0.023 0.013 -2.716) 2.716 4.524 ( -10.398 -6.003 -0.617) 12.022 5.246 ( -1.332 -0.769 -1.022) 1.847 9.574 ( 15.081 8.707 0.639) 17.426 10.856 ( 4.806 2.775 -2.395) 6.044 11.746 ( 9.968 5.755 -17.054) 20.575 12.367 ( -5.899 -3.406 -0.175) 6.813 14.494 ( 0.145 0.084 7.511) 7.513 14.563 ( -1.326 -0.766 13.998) 14.082======================= Grid point 494 (86/165) =======================q-point: (-0.20 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.495 ( -10.391 -5.999 11.979) 16.954 1.768 ( -14.410 -8.320 10.788) 19.831 2.689 ( -8.079 -4.664 -15.435) 18.035 2.996 ( -9.228 -5.328 -14.756) 18.201 3.312 ( -23.320 -13.464 16.361) 31.509 3.419 ( -1.090 -0.630 7.279) 7.387 4.135 ( -9.251 -5.341 -1.447) 10.779 4.314 ( -4.145 -2.393 -4.812) 6.787 5.289 ( 4.971 2.870 -3.005) 6.479 9.899 ( 12.249 7.072 1.780) 14.256 10.943 ( 1.532 0.884 -5.139) 5.434 11.970 ( 8.842 5.105 -16.857) 19.708 12.242 ( -4.536 -2.619 -1.719) 5.512 14.432 ( -4.715 -2.722 -0.019) 5.444 14.675 ( 11.653 6.728 31.709) 34.446======================= Grid point 495 (87/165) =======================q-point: (-0.13 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.271 ( -8.336 -4.813 18.131) 20.528 1.446 ( -12.254 -7.075 19.669) 24.230 2.467 ( -12.436 -7.180 0.444) 14.367 2.794 ( -7.875 -4.546 -16.044) 18.442 2.801 ( -18.009 -10.398 6.916) 21.915 3.399 ( -0.570 -0.329 6.219) 6.253 3.839 ( -13.666 -7.890 1.683) 15.870 4.315 ( 2.588 1.494 -15.612) 15.896 5.483 ( 11.847 6.840 1.884) 13.809 10.130 ( 7.254 4.188 4.062) 9.309 10.871 ( -8.909 -5.143 -7.817) 12.920 12.133 ( 4.649 2.684 -12.658) 13.749 12.165 ( -1.939 -1.119 -3.942) 4.533 14.297 ( -6.484 -3.743 1.600) 7.656 15.165 ( 31.204 18.016 35.669) 50.700======================= Grid point 496 (88/165) =======================q-point: (-0.07 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.127 ( -3.534 -2.040 23.425) 23.778 1.226 ( -6.439 -3.717 25.906) 26.951 2.102 ( -15.424 -8.905 33.868) 38.265 2.542 ( -5.275 -3.045 -15.212) 16.386 2.632 ( -5.889 -3.400 -16.903) 18.219 3.395 ( 0.282 0.163 5.206) 5.216 3.552 ( -9.947 -5.743 2.742) 11.808 4.397 ( 3.625 2.093 -26.042) 26.376 5.849 ( 18.320 10.577 8.891) 22.947 10.236 ( 1.859 1.073 6.413) 6.763 10.513 ( -19.671 -11.357 -2.574) 22.859 12.151 ( 0.670 0.387 -6.024) 6.073 12.194 ( 1.061 0.612 -8.041) 8.134 14.154 ( -5.073 -2.929 1.281) 5.996 16.073 ( 41.396 23.900 22.905) 53.005======================= Grid point 498 (89/165) =======================q-point: ( 0.07 0.07 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.275 ( 9.588 9.417 18.115) 22.556 1.395 ( 8.312 9.385 22.629) 25.869 2.359 ( 7.097 15.456 15.009) 22.683 2.547 ( -4.114 10.563 -7.866) 13.797 2.856 ( 11.176 9.603 -13.588) 20.044 3.444 ( 5.160 -0.262 4.954) 7.158 3.708 ( 2.836 14.051 3.080) 14.661 4.331 ( -2.076 -3.200 -18.105) 18.503 5.549 ( -9.698 -14.422 4.241) 17.889 10.086 ( -9.699 -3.085 4.997) 11.338 10.905 ( 15.844 10.949 -8.162) 20.917 11.912 ( -17.883 -7.216 -5.068) 19.939 12.289 ( 4.505 2.936 -6.904) 8.751 14.261 ( 4.018 6.463 1.894) 7.842 15.453 ( -12.882 -35.267 31.396) 48.943======================= Grid point 499 (90/165) =======================q-point: ( 0.13 0.07 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.618 ( 15.319 12.580 10.213) 22.299 1.681 ( 12.173 10.581 18.380) 24.453 2.499 ( -0.819 5.410 -14.777) 15.758 2.754 ( 9.154 15.589 4.939) 18.741 3.155 ( 10.129 11.163 -5.599) 16.080 3.551 ( 6.584 0.632 3.664) 7.561 3.915 ( 4.266 12.540 5.278) 14.259 4.309 ( 2.004 1.368 -8.275) 8.623 5.276 ( -8.456 -7.335 -1.918) 11.357 9.860 ( -11.132 -5.474 3.269) 12.828 11.185 ( 9.330 0.135 -11.210) 14.585 11.441 ( -22.403 -11.149 0.068) 25.024 12.393 ( 2.516 5.428 -5.229) 7.946 14.378 ( 2.216 3.732 4.364) 6.155 15.075 ( -1.146 -14.530 22.465) 26.779======================= Grid point 500 (91/165) =======================q-point: ( 0.20 0.07 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.021 ( 15.194 12.108 4.389) 19.918 2.022 ( 13.678 11.329 13.508) 22.314 2.541 ( -0.858 6.943 -11.991) 13.883 3.047 ( 9.439 7.942 -14.302) 18.888 3.434 ( 9.262 10.631 6.151) 15.383 3.683 ( 6.319 3.076 2.087) 7.331 4.067 ( 0.790 7.360 6.080) 9.579 4.451 ( 8.778 6.535 0.187) 10.945 5.115 ( -3.533 -2.700 -3.372) 5.580 9.585 ( -12.739 -7.151 1.903) 14.732 10.957 ( -18.874 -7.339 -2.723) 20.433 11.279 ( 4.133 -6.514 -6.504) 10.091 12.490 ( 1.779 6.482 -3.270) 7.475 14.407 ( -0.739 0.789 7.710) 7.786 15.047 ( 6.057 -4.722 9.105) 11.912======================= Grid point 501 (92/165) =======================q-point: ( 0.27 0.07 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.338 ( 7.785 8.702 -0.740) 11.700 2.384 ( 14.475 9.350 3.984) 17.687 2.642 ( 3.202 11.460 -3.085) 12.292 3.241 ( 5.707 5.189 -17.826) 19.423 3.658 ( 7.461 1.137 7.253) 10.467 3.853 ( 6.136 9.072 1.711) 11.085 4.101 ( -2.116 4.226 4.861) 6.780 4.693 ( 9.615 6.774 3.172) 12.182 5.116 ( 4.506 1.187 0.690) 4.710 9.277 ( -13.443 -7.702 1.459) 15.561 10.645 ( -10.126 -3.675 -0.443) 10.781 11.233 ( -0.751 -7.829 -7.536) 10.893 12.587 ( 1.596 6.828 -1.615) 7.196 14.396 ( -0.562 0.042 8.194) 8.213 15.113 ( 4.886 -3.362 0.758) 5.979======================= Grid point 502 (93/165) =======================q-point: ( 0.33 0.07 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.454 ( -0.396 4.706 -9.468) 10.580 2.713 ( 12.185 8.315 0.056) 14.752 2.877 ( 6.985 13.174 2.574) 15.132 3.370 ( 3.317 4.868 -7.288) 9.371 3.711 ( 1.343 -4.093 5.878) 7.287 3.972 ( -3.146 7.190 0.113) 7.849 4.191 ( 7.658 4.933 -0.754) 9.140 4.898 ( 7.113 4.244 2.853) 8.761 5.268 ( 9.334 2.507 6.231) 11.499 8.977 ( -11.637 -6.811 1.763) 13.599 10.525 ( -1.455 -0.250 1.569) 2.155 11.111 ( -3.690 -7.707 -7.767) 11.548 12.679 ( 0.844 6.659 -0.451) 6.727 14.395 ( 0.502 -0.022 7.906) 7.922 15.128 ( 1.101 -4.530 -4.584) 6.538======================= Grid point 503 (94/165) =======================q-point: ( 0.40 0.07 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.460 ( -3.764 4.376 -8.582) 10.342 2.936 ( 2.335 6.554 -12.798) 14.567 3.101 ( 6.513 7.966 7.997) 13.032 3.459 ( 1.865 3.479 9.731) 10.501 3.689 ( 1.314 -0.752 0.651) 1.648 3.962 ( -4.334 4.295 -3.569) 7.069 4.366 ( 6.776 2.530 -3.838) 8.189 5.023 ( 3.703 1.364 2.684) 4.773 5.448 ( 8.250 0.646 8.458) 11.833 8.756 ( -6.490 -4.206 2.255) 8.056 10.574 ( 5.268 2.104 3.493) 6.661 10.966 ( -3.967 -6.525 -7.774) 10.897 12.744 ( -0.928 5.874 0.258) 5.953 14.413 ( 1.445 0.279 7.717) 7.857 15.061 ( -2.490 -5.830 -7.942) 10.162======================= Grid point 504 (95/165) =======================q-point: ( 0.47 0.07 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.414 ( -6.604 4.470 -6.249) 10.131 2.903 ( -9.178 2.010 -13.168) 16.176 3.279 ( 6.345 3.817 10.584) 12.917 3.479 ( -2.158 0.570 8.689) 8.971 3.778 ( 5.387 3.584 -0.281) 6.477 3.906 ( -5.256 2.597 -5.520) 8.053 4.469 ( 3.309 0.134 -4.306) 5.432 5.050 ( -0.706 -1.261 2.337) 2.748 5.545 ( 3.649 -2.855 8.577) 9.748 8.683 ( 1.028 -0.328 2.387) 2.619 10.703 ( 4.099 1.245 4.082) 5.917 10.886 ( 3.491 -2.856 -7.751) 8.968 12.760 ( -3.365 4.529 0.584) 5.672 14.448 ( 1.697 0.986 7.706) 7.953 14.934 ( -4.568 -6.381 -8.953) 11.905======================= Grid point 506 (96/165) =======================q-point: (-0.47 0.07 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.318 ( -9.674 4.791 -3.256) 11.276 2.717 ( -11.737 -0.769 -8.574) 14.556 3.351 ( -2.073 -3.075 4.171) 5.581 3.439 ( -1.020 3.358 7.580) 8.353 3.747 ( -7.364 -2.471 -7.781) 10.995 3.980 ( 5.690 5.987 1.311) 8.363 4.480 ( -1.207 -2.082 -2.612) 3.552 4.977 ( -4.945 -2.848 1.005) 5.794 5.515 ( -1.633 -6.176 8.038) 10.267 8.786 ( 8.564 3.507 1.930) 9.453 10.706 ( -0.469 -0.799 -0.033) 0.927 11.054 ( 13.170 0.433 -5.514) 14.284 12.717 ( -5.768 3.152 0.515) 6.593 14.488 ( 0.911 2.072 8.021) 8.334 14.787 ( -4.683 -5.979 -7.041) 10.357======================= Grid point 507 (97/165) =======================q-point: (-0.40 0.07 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.170 ( -12.918 5.068 0.377) 13.881 2.495 ( -11.649 -2.285 -5.588) 13.121 3.196 ( -8.446 -5.239 -3.317) 10.478 3.473 ( -0.300 2.539 9.493) 9.832 3.561 ( -9.482 -4.174 -10.650) 14.858 4.120 ( 4.122 3.370 1.575) 5.553 4.366 ( -8.205 -4.846 2.174) 9.774 4.835 ( -7.459 -2.853 -1.492) 8.124 5.383 ( -4.530 -7.600 6.194) 10.800 9.037 ( 13.980 5.920 1.109) 15.222 10.722 ( 2.273 1.255 -0.474) 2.640 11.289 ( 14.052 -2.627 -9.098) 16.945 12.628 ( -7.545 2.720 -0.136) 8.021 14.519 ( -0.650 3.554 9.202) 9.886 14.660 ( -3.337 -4.917 -2.532) 6.459======================= Grid point 508 (98/165) =======================q-point: (-0.33 0.07 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.969 ( -15.507 4.772 4.537) 16.847 2.256 ( -12.670 -3.249 -1.102) 13.126 2.980 ( -9.143 -5.879 -9.482) 14.424 3.338 ( -10.098 -5.215 -12.057) 16.569 3.477 ( -1.790 1.800 7.982) 8.376 4.054 ( -15.227 -8.095 8.958) 19.433 4.217 ( -0.281 1.470 -0.534) 1.589 4.655 ( -9.918 -3.420 -1.015) 10.540 5.245 ( -2.250 -5.682 1.257) 6.239 9.370 ( 16.276 6.058 0.493) 17.374 10.811 ( 4.660 3.730 -0.865) 6.032 11.482 ( 14.303 -8.460 -12.595) 20.852 12.520 ( -8.349 4.068 -1.823) 9.465 14.542 ( -1.793 5.403 8.392) 10.141 14.571 ( -1.733 -3.446 6.525) 7.580======================= Grid point 509 (99/165) =======================q-point: (-0.27 0.07 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.732 ( -16.552 4.384 9.070) 19.377 1.973 ( -15.511 -3.838 6.019) 17.075 2.772 ( -7.729 -5.804 -14.689) 17.583 3.107 ( -10.019 -5.401 -13.427) 17.602 3.448 ( -3.665 0.179 7.411) 8.270 3.632 ( -21.485 -6.388 12.836) 25.830 4.202 ( -2.995 -1.560 -2.774) 4.370 4.421 ( -11.090 -3.646 0.541) 11.686 5.215 ( 3.514 -2.205 -3.241) 5.264 9.703 ( 15.418 3.509 0.793) 15.832 10.941 ( 3.662 5.917 -2.590) 7.425 11.626 ( 16.095 -14.849 -12.197) 25.066 12.427 ( -8.051 6.147 -4.840) 11.227 14.492 ( -3.478 -2.051 0.653) 4.090 14.619 ( 2.975 8.254 23.496) 25.081======================= Grid point 510 (100/165) =======================q-point: (-0.20 0.07 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.490 ( -15.854 4.516 13.542) 21.334 1.653 ( -16.214 -2.561 14.610) 21.975 2.586 ( -7.550 -5.070 -13.815) 16.540 2.857 ( -12.144 -8.215 -5.355) 15.609 3.137 ( -21.032 -2.654 5.473) 21.894 3.454 ( -3.618 3.654 6.425) 8.230 4.010 ( -13.162 -6.134 1.789) 14.631 4.299 ( -0.964 0.132 -8.874) 8.927 5.319 ( 9.629 -0.267 -2.117) 9.863 9.959 ( 12.061 -1.580 2.475) 12.413 11.014 ( -3.908 6.693 -6.493) 10.111 11.763 ( 17.789 -16.407 -7.794) 25.425 12.356 ( -6.950 5.306 -7.376) 11.439 14.392 ( -6.083 -1.363 2.106) 6.580 14.877 ( 16.407 11.828 30.081) 36.248======================= Grid point 515 (101/165) =======================q-point: ( 0.13 0.13 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.871 ( 16.367 12.383 10.526) 23.065 1.944 ( 9.582 14.310 8.169) 19.061 2.650 ( -1.676 9.122 -14.259) 17.010 3.022 ( 3.974 11.061 -11.907) 16.731 3.426 ( 5.181 11.752 6.414) 14.356 3.607 ( 7.653 7.841 7.002) 13.003 4.143 ( 0.234 8.317 1.606) 8.474 4.394 ( 5.631 7.769 -0.169) 9.597 5.163 ( -5.266 -3.668 -4.182) 7.659 9.704 ( -9.880 -10.288 1.119) 14.308 11.095 ( 4.587 -9.022 -0.535) 10.135 11.279 ( -21.733 -3.751 -9.508) 24.017 12.507 ( 4.392 5.400 -5.821) 9.073 14.442 ( -1.281 2.522 6.105) 6.729 14.841 ( 8.886 -8.428 15.537) 19.784======================= Grid point 516 (102/165) =======================q-point: ( 0.20 0.13 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.257 ( 11.405 10.807 5.316) 16.587 2.273 ( 13.091 13.028 5.038) 19.144 2.737 ( 0.259 11.941 -9.236) 15.099 3.203 ( 5.381 8.179 -17.114) 19.716 3.574 ( 4.585 2.409 6.400) 8.233 3.843 ( 6.129 12.352 5.582) 14.877 4.195 ( -1.772 4.929 3.069) 6.071 4.614 ( 8.155 9.314 4.470) 13.162 5.082 ( -0.761 -0.583 -3.189) 3.330 9.410 ( -11.391 -10.393 0.782) 15.440 10.832 ( -15.149 -5.498 1.154) 16.157 11.136 ( 1.166 -6.508 -8.237) 10.562 12.629 ( 2.654 6.880 -3.904) 8.344 14.423 ( -2.136 0.964 7.156) 7.529 14.942 ( 9.006 -5.498 5.018) 11.684======================= Grid point 517 (103/165) =======================q-point: ( 0.27 0.13 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.491 ( 4.233 7.156 -6.973) 10.851 2.608 ( 10.925 12.041 8.873) 18.522 2.926 ( 4.939 15.501 -3.179) 16.577 3.367 ( 4.046 7.213 -13.879) 16.156 3.643 ( 2.630 -1.562 6.070) 6.798 4.052 ( 4.517 9.084 1.517) 10.258 4.192 ( -2.832 4.474 2.526) 5.867 4.829 ( 6.420 6.576 4.484) 10.226 5.137 ( 6.605 0.581 1.365) 6.769 9.104 ( -11.524 -9.498 1.394) 14.999 10.594 ( -7.553 -1.557 1.665) 7.889 11.064 ( -0.942 -8.131 -5.932) 10.109 12.742 ( 1.459 8.051 -2.358) 8.515 14.400 ( -1.162 0.469 6.141) 6.268 15.013 ( 5.475 -6.272 -1.199) 8.412======================= Grid point 518 (104/165) =======================q-point: ( 0.33 0.13 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.576 ( -1.925 7.179 -6.088) 9.608 2.901 ( 9.620 9.712 4.328) 14.339 3.156 ( 1.792 13.984 -5.213) 15.031 3.477 ( 1.111 5.027 1.924) 5.496 3.654 ( 1.745 -0.773 1.706) 2.560 4.109 ( -5.453 6.147 -1.094) 8.290 4.272 ( 6.252 2.794 -2.271) 7.215 4.968 ( 4.224 2.695 3.246) 5.970 5.288 ( 9.345 -0.777 5.494) 10.868 8.836 ( -8.696 -7.234 2.291) 11.541 10.532 ( 0.604 0.658 3.434) 3.548 10.948 ( -2.620 -7.895 -4.726) 9.567 12.837 ( -0.507 8.526 -1.318) 8.642 14.397 ( 0.433 0.404 5.370) 5.402 15.003 ( 1.374 -7.549 -5.476) 9.427======================= Grid point 519 (105/165) =======================q-point: ( 0.40 0.13 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.585 ( -5.307 7.528 -3.125) 9.726 3.103 ( -2.126 9.824 -9.547) 13.863 3.225 ( -0.057 3.448 5.390) 6.398 3.521 ( -0.444 2.847 9.620) 10.043 3.738 ( 4.615 5.433 -0.247) 7.133 4.049 ( -6.947 3.968 -4.529) 9.193 4.392 ( 5.280 0.170 -4.266) 6.790 5.032 ( 1.557 -0.311 2.718) 3.148 5.412 ( 6.989 -4.174 6.646) 10.509 8.677 ( -2.522 -3.634 2.871) 5.273 10.612 ( 6.497 1.583 4.803) 8.233 10.829 ( -1.861 -6.723 -4.057) 8.070 12.887 ( -3.387 7.877 -0.727) 8.605 14.425 ( 1.915 1.097 4.941) 5.411 14.916 ( -1.809 -8.207 -7.737) 11.423======================= Grid point 520 (106/165) =======================q-point: (-0.53 0.13 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.545 ( -8.013 7.664 -0.092) 11.089 2.978 ( -15.261 5.116 -9.515) 18.698 3.318 ( 3.603 0.278 7.370) 8.208 3.513 ( -2.987 2.801 4.715) 6.244 3.836 ( -2.539 1.474 -1.872) 3.482 3.993 ( -1.040 5.678 -2.956) 6.486 4.452 ( 2.132 -1.561 -3.725) 4.567 5.016 ( -2.104 -1.722 1.776) 3.247 5.435 ( 2.425 -7.712 6.673) 10.483 8.684 ( 5.179 0.316 2.787) 5.890 10.701 ( 0.066 -1.347 2.304) 2.670 10.828 ( 10.295 -2.790 -1.841) 10.824 12.875 ( -6.214 6.327 -0.571) 8.887 14.483 ( 2.416 2.677 4.481) 5.752 14.786 ( -3.278 -7.851 -7.093) 11.077======================= Grid point 521 (107/165) =======================q-point: (-0.47 0.13 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.460 ( -10.702 7.922 2.996) 13.647 2.737 ( -16.241 2.841 -7.025) 17.922 3.279 ( -5.850 -3.425 -0.463) 6.794 3.514 ( -0.761 3.575 7.754) 8.572 3.693 ( -9.599 -3.129 -9.056) 13.563 4.095 ( 3.232 4.944 1.729) 6.154 4.423 ( -3.025 -3.267 -0.737) 4.513 4.932 ( -5.543 -1.073 0.180) 5.648 5.349 ( -1.677 -9.702 5.908) 11.482 8.855 ( 11.804 3.100 2.032) 12.373 10.692 ( 1.573 -0.764 0.695) 1.881 11.011 ( 12.655 -4.221 -3.121) 13.700 12.805 ( -7.919 4.859 -1.046) 9.349 14.557 ( 1.573 4.454 2.944) 5.566 14.656 ( -3.009 -6.163 -2.050) 7.158======================= Grid point 522 (108/165) =======================q-point: (-0.40 0.13 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.325 ( -14.546 8.616 6.864) 18.247 2.478 ( -15.215 0.935 -5.727) 16.284 3.089 ( -9.834 -5.113 -5.762) 12.492 3.470 ( -10.443 -4.345 -10.716) 15.580 3.533 ( -1.637 2.839 6.533) 7.308 4.147 ( -2.262 -1.767 3.434) 4.475 4.290 ( -6.674 -1.587 2.405) 7.270 4.801 ( -8.821 -0.430 0.442) 8.842 5.212 ( -2.226 -8.429 2.466) 9.060 9.137 ( 15.651 3.560 0.985) 16.081 10.754 ( 5.126 1.382 0.937) 5.391 11.158 ( 11.353 -8.802 -7.285) 16.107 12.707 ( -8.129 4.143 -2.435) 9.443 14.551 ( -1.245 -5.357 -0.809) 5.559 14.638 ( -0.558 7.911 8.051) 11.301======================= Grid point 523 (109/165) =======================q-point: (-0.33 0.13 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.119 ( -18.509 8.594 9.588) 22.546 2.222 ( -14.938 0.037 -0.687) 14.953 2.858 ( -9.419 -6.075 -10.919) 15.648 3.240 ( -10.513 -3.937 -14.142) 18.056 3.523 ( -2.972 2.511 6.679) 7.730 3.909 ( -16.197 -5.618 8.739) 19.243 4.236 ( -2.119 -0.103 0.060) 2.122 4.604 ( -12.207 -1.312 3.146) 12.674 5.135 ( 1.331 -4.538 -2.681) 5.436 9.447 ( 16.184 1.168 0.382) 16.230 10.899 ( 8.106 3.945 1.447) 9.130 11.232 ( 10.250 -13.287 -10.430) 19.758 12.609 ( -7.418 3.314 -4.497) 9.287 14.489 ( -0.545 -3.928 5.021) 6.398 14.717 ( -1.003 10.743 9.736) 14.533======================= Grid point 531 (110/165) =======================q-point: ( 0.20 0.20 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.448 ( 8.734 8.162 1.888) 12.102 2.544 ( 12.665 13.480 3.586) 18.841 2.998 ( 3.181 13.087 -6.315) 14.875 3.392 ( 2.754 10.359 -14.570) 18.088 3.589 ( 2.800 -0.218 6.615) 7.187 4.082 ( 1.853 9.240 3.892) 10.196 4.271 ( -0.281 3.304 2.016) 3.881 4.807 ( 5.747 8.930 5.431) 11.928 5.092 ( -1.448 1.613 -1.771) 2.800 9.168 ( -8.466 -13.158 1.019) 15.679 10.727 ( -8.742 -4.598 2.313) 10.144 11.028 ( -4.598 -4.605 -6.244) 9.019 12.764 ( 4.801 6.392 -3.377) 8.678 14.452 ( -3.354 2.086 3.447) 5.242 14.826 ( 8.079 -5.924 3.017) 10.463======================= Grid point 532 (111/165) =======================q-point: ( 0.27 0.20 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.640 ( 3.943 7.411 -3.382) 9.051 2.849 ( 7.987 11.306 8.466) 16.226 3.239 ( 6.921 14.703 -3.973) 16.729 3.524 ( 0.352 7.600 -8.875) 11.690 3.616 ( 1.905 -0.333 3.997) 4.441 4.184 ( 2.802 3.309 -0.484) 4.363 4.283 ( -2.910 4.693 0.989) 5.609 4.954 ( 2.047 5.518 5.097) 7.786 5.134 ( 5.799 -0.882 0.912) 5.936 8.897 ( -8.150 -10.592 2.161) 13.538 10.573 ( -4.971 -0.650 3.253) 5.977 10.913 ( -2.535 -6.820 -2.328) 7.639 12.905 ( 2.836 7.893 -2.486) 8.748 14.421 ( -2.229 1.775 2.040) 3.504 14.869 ( 4.603 -7.703 -1.906) 9.174======================= Grid point 533 (112/165) =======================q-point: ( 0.33 0.20 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.735 ( -1.962 8.234 -1.382) 8.576 3.076 ( 7.765 6.497 8.555) 13.255 3.429 ( -6.679 11.987 -10.950) 17.556 3.542 ( 1.591 2.646 9.112) 9.621 3.714 ( 4.999 6.159 -2.076) 8.199 4.198 ( -4.628 1.405 -3.828) 6.168 4.315 ( 2.990 2.491 -2.343) 4.542 5.008 ( 0.896 1.382 3.451) 3.823 5.236 ( 7.497 -4.165 3.667) 9.327 8.690 ( -4.705 -6.862 3.085) 8.873 10.547 ( 1.735 0.813 4.954) 5.312 10.799 ( -2.439 -6.766 -0.115) 7.193 13.011 ( -0.530 8.306 -1.966) 8.552 14.418 ( 0.047 1.851 1.461) 2.359 14.835 ( 1.131 -8.705 -5.355) 10.282======================= Grid point 534 (113/165) =======================q-point: ( 0.40 0.20 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.746 ( -5.898 7.886 1.636) 9.982 3.222 ( 2.451 -2.236 8.865) 9.465 3.332 ( -10.392 11.153 -6.220) 16.464 3.591 ( -2.148 4.137 1.078) 4.785 3.871 ( 2.869 6.363 3.260) 7.703 4.102 ( -5.757 0.694 -7.203) 9.247 4.390 ( 3.236 0.162 -3.755) 4.960 5.020 ( -0.042 -0.431 2.454) 2.492 5.288 ( 4.922 -7.607 4.499) 10.117 8.612 ( 1.637 -2.708 3.417) 4.657 10.636 ( 6.982 0.724 5.302) 8.797 10.701 ( -1.272 -5.620 1.056) 5.858 13.044 ( -4.676 7.084 -1.705) 8.658 14.464 ( 2.473 2.812 0.914) 3.855 14.743 ( -1.242 -8.386 -6.269) 10.543======================= Grid point 536 (114/165) =======================q-point: (-0.53 0.20 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.693 ( -8.208 6.395 3.023) 10.835 3.064 ( -14.094 1.538 0.917) 14.207 3.349 ( -3.613 4.529 -0.449) 5.811 3.571 ( -2.515 2.438 3.187) 4.736 3.825 ( -8.493 -2.774 -5.455) 10.468 4.109 ( 1.522 5.131 -0.911) 5.429 4.416 ( 0.377 -1.874 -2.243) 2.947 5.000 ( -2.374 0.733 1.325) 2.816 5.253 ( 1.159 -9.478 4.560) 10.582 8.692 ( 8.552 0.418 3.044) 9.087 10.648 ( 0.880 -3.793 1.961) 4.360 10.785 ( 9.457 -1.162 2.682) 9.898 12.994 ( -7.643 4.931 -1.751) 9.263 14.546 ( 2.647 1.372 -2.475) 3.875 14.645 ( -1.143 -3.635 -1.412) 4.063======================= Grid point 537 (115/165) =======================q-point: (-0.47 0.20 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.591 ( -9.636 4.579 2.618) 10.985 2.813 ( -16.966 3.349 1.228) 17.337 3.236 ( -10.867 -0.310 -3.811) 11.520 3.575 ( -0.487 2.391 6.647) 7.081 3.614 ( -10.158 -4.597 -11.157) 15.774 4.164 ( -0.361 1.710 1.517) 2.315 4.360 ( -3.638 -2.978 0.705) 4.754 4.945 ( -6.183 2.008 2.326) 6.905 5.157 ( -1.103 -7.665 2.378) 8.101 8.901 ( 13.630 1.236 2.078) 13.843 10.657 ( 4.265 -3.229 2.148) 5.765 10.925 ( 8.560 -2.905 -1.657) 9.190 12.889 ( -8.492 2.897 -2.360) 9.278 14.511 ( -0.815 -5.727 -2.324) 6.234 14.705 ( 2.236 7.736 2.802) 8.526======================= Grid point 548 (116/165) =======================q-point: ( 0.27 0.27 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.783 ( 5.662 6.492 1.032) 8.675 3.047 ( 3.238 7.817 7.844) 11.538 3.476 ( 10.263 6.408 0.972) 12.138 3.594 ( 0.154 3.273 0.019) 3.277 3.732 ( 0.018 9.618 -7.629) 12.276 4.189 ( 1.955 -2.438 -1.706) 3.561 4.368 ( -1.959 3.203 -1.233) 3.952 5.037 ( 0.973 1.945 4.108) 4.649 5.113 ( -0.392 -0.241 1.257) 1.339 8.697 ( -4.953 -8.531 3.101) 10.341 10.570 ( -3.263 0.524 4.116) 5.278 10.780 ( -3.154 -6.455 2.341) 7.556 13.054 ( 4.400 6.511 -2.371) 8.208 14.473 ( -3.313 3.189 -2.495) 5.232 14.713 ( 2.922 -7.325 -1.835) 8.097======================= Grid point 549 (117/165) =======================q-point: ( 0.33 0.27 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.900 ( -1.401 7.914 2.695) 8.476 3.131 ( 3.486 -1.166 8.356) 9.128 3.538 ( -2.485 1.845 6.906) 7.568 3.728 ( -3.641 12.516 -9.438) 16.093 3.849 ( 6.783 6.122 1.118) 9.205 4.144 ( -2.085 -6.218 -5.909) 8.827 4.384 ( -0.186 3.453 -3.466) 4.896 5.029 ( -1.428 0.884 3.183) 3.599 5.135 ( 4.180 -5.203 2.399) 7.092 8.573 ( -1.324 -4.277 3.629) 5.763 10.566 ( 1.673 1.175 5.824) 6.172 10.676 ( -1.832 -5.188 4.278) 6.969 13.157 ( -0.177 5.590 -2.477) 6.117 14.473 ( -0.238 3.405 -2.175) 4.047 14.665 ( 0.598 -7.538 -4.619) 8.861======================= Grid point 550 (118/165) =======================q-point: (-0.60 0.27 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.889 ( -7.156 5.518 3.741) 9.781 3.146 ( 0.472 -4.165 7.315) 8.431 3.515 ( -3.740 5.160 6.150) 8.856 3.700 ( -9.080 6.921 -6.651) 13.213 3.920 ( -5.593 -3.620 -0.786) 6.709 4.102 ( 4.491 1.331 -5.889) 7.525 4.403 ( -0.549 0.509 -3.388) 3.470 5.032 ( 0.033 1.875 2.245) 2.926 5.134 ( 2.515 -6.503 3.074) 7.620 8.573 ( 4.372 -1.000 3.631) 5.770 10.596 ( 0.067 -3.413 4.378) 5.551 10.659 ( 5.072 0.638 5.715) 7.668 13.153 ( -5.129 3.160 -2.427) 6.495 14.518 ( 0.783 0.376 -3.587) 3.690 14.613 ( 1.620 -2.179 -3.250) 4.235======================= Grid point 564 (119/165) =======================q-point: ( 0.33 0.33 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 270Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.048 ( -2.875 -5.750 5.742) 8.620 3.048 ( 2.875 5.750 5.742) 8.620 3.559 ( -0.000 -0.000 7.901) 7.901 3.922 ( -0.000 -0.000 5.090) 5.090 3.967 ( -4.092 -8.184 -9.228) 12.995 3.967 ( 4.092 8.184 -9.228) 12.995 4.424 ( -0.000 -0.000 -4.695) 4.695 5.056 ( -0.964 -1.928 2.567) 3.352 5.056 ( 0.964 1.928 2.567) 3.352 8.528 ( -0.000 -0.000 3.783) 3.783 10.599 ( -0.967 -1.934 6.094) 6.466 10.599 ( 0.967 1.934 6.094) 6.466 13.217 ( -0.000 -0.000 -2.744) 2.744 14.548 ( -1.664 -3.328 -3.902) 5.392 14.548 ( 1.664 3.328 -3.902) 5.392======================= Grid point 723 (120/165) =======================q-point: ( 0.00 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.598 ( 0.000 -0.000 19.781) 19.781 1.598 ( 0.000 -0.000 19.781) 19.781 2.159 ( 0.000 -0.000 -16.921) 16.921 2.159 ( 0.000 0.000 -16.921) 16.921 2.720 ( 0.000 -0.000 33.048) 33.048 3.470 ( 0.000 0.000 1.384) 1.384 3.470 ( 0.000 0.000 1.384) 1.384 3.801 ( -0.000 0.000 -28.722) 28.722 6.242 ( 0.000 -0.000 2.611) 2.611 10.351 ( 0.000 -0.000 3.775) 3.775 10.351 ( 0.000 0.000 3.775) 3.775 12.071 ( 0.000 0.000 -3.519) 3.519 12.071 ( -0.000 0.000 -3.519) 3.519 14.104 ( -0.000 0.000 0.401) 0.401 16.707 ( 0.000 0.000 1.088) 1.088======================= Grid point 724 (121/165) =======================q-point: ( 0.07 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.604 ( 3.577 2.065 21.327) 21.723 1.707 ( 6.282 3.627 16.150) 17.704 2.125 ( 0.270 0.156 -12.968) 12.972 2.258 ( 5.117 2.954 -18.459) 19.382 2.840 ( 9.623 5.556 27.878) 30.011 3.495 ( 1.648 0.951 0.277) 1.923 3.567 ( 8.325 4.807 3.045) 10.084 3.829 ( 2.564 1.480 -26.001) 26.169 5.968 ( -19.668 -11.355 3.159) 22.929 10.264 ( -6.043 -3.489 5.617) 8.957 10.603 ( 16.231 9.371 -1.306) 18.788 11.975 ( -7.418 -4.283 -0.394) 8.574 12.121 ( 2.997 1.730 -5.130) 6.188 14.175 ( 5.653 3.264 0.455) 6.544 16.352 ( -26.384 -15.233 4.889) 30.856======================= Grid point 725 (122/165) =======================q-point: ( 0.13 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.760 ( 9.321 5.381 19.643) 22.398 1.873 ( 7.373 4.257 6.924) 10.974 2.177 ( 4.382 2.530 -3.470) 6.135 2.387 ( 5.845 3.375 -20.892) 21.955 3.131 ( 14.288 8.249 20.303) 26.161 3.547 ( 2.753 1.590 -0.976) 3.326 3.819 ( 11.531 6.658 4.171) 13.953 3.942 ( 8.012 4.626 -17.979) 20.220 5.501 ( -17.905 -10.337 2.409) 20.814 10.075 ( -9.928 -5.732 5.800) 12.848 10.919 ( 8.250 4.763 -7.154) 11.913 11.729 ( -12.711 -7.338 6.033) 15.868 12.207 ( 4.295 2.480 -5.219) 7.200 14.331 ( 6.650 3.839 0.425) 7.690 15.709 ( -24.424 -14.101 6.375) 28.914======================= Grid point 726 (123/165) =======================q-point: ( 0.20 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.009 ( 11.187 6.459 13.444) 18.644 2.024 ( 5.243 3.027 -6.279) 8.722 2.342 ( 9.684 5.591 10.099) 15.067 2.542 ( 7.927 4.577 -21.500) 23.368 3.473 ( 14.441 8.337 15.845) 23.002 3.620 ( 3.419 1.974 -2.379) 4.609 4.035 ( 7.386 4.264 -1.049) 8.593 4.225 ( 14.120 8.152 -4.014) 16.791 5.186 ( -8.340 -4.815 1.827) 9.802 9.807 ( -12.765 -7.370 4.827) 15.509 10.934 ( -6.536 -3.774 -7.174) 10.413 11.465 ( -8.451 -4.879 8.960) 13.248 12.319 ( 5.152 2.974 -4.207) 7.286 14.451 ( 3.279 1.893 0.726) 3.856 15.298 ( -10.825 -6.250 1.652) 12.609======================= Grid point 727 (124/165) =======================q-point: ( 0.27 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.124 ( 3.470 2.003 -10.355) 11.103 2.252 ( 9.241 5.335 2.492) 10.958 2.608 ( 12.497 7.215 14.477) 20.441 2.775 ( 11.956 6.903 -14.561) 20.065 3.700 ( 3.264 1.884 -3.848) 5.386 3.790 ( 12.386 7.151 12.600) 19.060 4.146 ( 1.262 0.728 2.768) 3.128 4.535 ( 12.070 6.968 -3.404) 14.347 5.137 ( 4.188 2.418 4.090) 6.333 9.489 ( -14.088 -8.134 3.541) 16.649 10.728 ( -8.426 -4.865 0.446) 9.740 11.304 ( -6.503 -3.755 3.224) 8.172 12.444 ( 5.451 3.147 -2.790) 6.885 14.493 ( 0.823 0.475 1.699) 1.946 15.146 ( -3.758 -2.169 -4.033) 5.924======================= Grid point 728 (125/165) =======================q-point: ( 0.33 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.191 ( 2.262 1.306 -9.400) 9.756 2.444 ( 7.290 4.209 -6.127) 10.411 2.906 ( 12.575 7.260 13.765) 20.009 3.079 ( 13.346 7.706 -6.686) 16.799 3.765 ( 2.102 1.213 -5.289) 5.819 4.019 ( 3.695 2.133 12.618) 13.320 4.123 ( 0.981 0.566 1.255) 1.690 4.792 ( 9.898 5.714 -2.904) 11.792 5.325 ( 10.140 5.854 6.277) 13.285 9.165 ( -13.191 -7.616 2.531) 15.440 10.598 ( -2.413 -1.393 4.332) 5.151 11.140 ( -7.477 -4.317 -0.029) 8.634 12.567 ( 4.928 2.845 -1.481) 5.880 14.508 ( 0.745 0.430 2.645) 2.782 15.069 ( -3.422 -1.976 -7.764) 8.712======================= Grid point 729 (126/165) =======================q-point: ( 0.40 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.229 ( 0.958 0.553 -7.258) 7.342 2.589 ( 4.837 2.793 -8.975) 10.571 3.182 ( 10.721 6.190 11.991) 17.235 3.378 ( 11.998 6.927 -2.414) 14.063 3.791 ( -0.059 -0.034 -6.542) 6.542 3.925 ( -6.712 -3.875 9.622) 12.355 4.261 ( 6.170 3.562 1.066) 7.204 4.989 ( 6.660 3.845 -1.149) 7.775 5.552 ( 8.413 4.857 5.999) 11.417 8.894 ( -9.510 -5.491 1.876) 11.141 10.610 ( 3.067 1.771 4.252) 5.534 10.965 ( -7.184 -4.148 -0.756) 8.330 12.667 ( 3.426 1.978 -0.482) 3.985 14.533 ( 1.346 0.777 3.473) 3.805 14.973 ( -4.722 -2.726 -8.929) 10.462======================= Grid point 730 (127/165) =======================q-point: ( 0.47 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.234 ( -0.527 -0.304 -4.675) 4.714 2.655 ( 0.616 0.356 -7.397) 7.431 3.397 ( 7.442 4.297 9.767) 13.009 3.635 ( 9.658 5.576 -0.000) 11.152 3.757 ( -2.891 -1.669 -7.151) 7.892 3.759 ( -7.007 -4.045 6.802) 10.570 4.369 ( 3.000 1.732 -1.709) 3.863 5.092 ( 1.939 1.119 0.531) 2.301 5.696 ( 3.596 2.076 4.527) 6.143 8.740 ( -3.288 -1.898 1.296) 4.011 10.723 ( 6.171 3.563 0.626) 7.153 10.815 ( -5.476 -3.162 -0.224) 6.327 12.721 ( 1.095 0.632 0.227) 1.284 14.569 ( 1.597 0.922 4.181) 4.570 14.859 ( -4.680 -2.702 -7.134) 8.950======================= Grid point 731 (128/165) =======================q-point: (-0.47 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.203 ( -2.108 -1.217 -1.687) 2.962 2.616 ( -3.742 -2.161 -3.478) 5.547 3.514 ( 1.699 0.981 3.121) 3.687 3.561 ( -8.931 -5.156 5.861) 11.862 3.666 ( -3.923 -2.265 -3.133) 5.508 3.863 ( 8.560 4.942 -2.168) 10.119 4.401 ( -0.248 -0.143 -4.523) 4.532 5.076 ( -3.306 -1.909 1.960) 4.291 5.713 ( -2.175 -1.256 2.947) 3.872 8.749 ( 3.997 2.308 0.532) 4.646 10.714 ( -3.049 -1.760 -0.577) 3.568 10.883 ( 7.277 4.202 -4.382) 9.477 12.715 ( -1.600 -0.923 0.759) 1.997 14.592 ( -0.101 -0.058 2.529) 2.532 14.780 ( -1.406 -0.812 -0.484) 1.694======================= Grid point 732 (129/165) =======================q-point: (-0.40 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.136 ( -3.641 -2.102 1.761) 4.558 2.496 ( -6.155 -3.554 0.079) 7.108 3.322 ( -11.559 -6.674 2.608) 13.600 3.418 ( -8.390 -4.844 -10.949) 14.620 3.639 ( 0.353 0.204 8.147) 8.157 4.042 ( 6.530 3.770 -1.990) 7.799 4.357 ( -3.559 -2.055 -7.006) 8.122 4.942 ( -7.885 -4.553 2.915) 9.561 5.599 ( -7.217 -4.166 1.543) 8.475 8.919 ( 10.259 5.923 -0.444) 11.855 10.673 ( -0.426 -0.246 -2.193) 2.247 11.058 ( 7.691 4.440 -8.573) 12.344 12.648 ( -4.046 -2.336 1.243) 4.834 14.564 ( -1.709 -0.987 -0.402) 2.014 14.795 ( 2.101 1.213 8.300) 8.647======================= Grid point 733 (130/165) =======================q-point: (-0.33 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.035 ( -4.964 -2.866 5.678) 8.068 2.346 ( -6.402 -3.696 2.758) 7.890 3.020 ( -14.065 -8.121 -0.612) 16.253 3.187 ( -10.859 -6.270 -13.626) 18.518 3.633 ( -1.002 -0.579 7.694) 7.781 4.152 ( 1.916 1.106 -1.393) 2.614 4.233 ( -6.752 -3.898 -6.691) 10.274 4.725 ( -10.124 -5.845 2.329) 11.920 5.397 ( -9.402 -5.428 -0.223) 10.859 9.209 ( 14.060 8.117 -1.519) 16.306 10.696 ( 2.409 1.391 -4.362) 5.173 11.245 ( 8.332 4.811 -10.239) 14.050 12.532 ( -5.712 -3.298 1.754) 6.825 14.528 ( -1.317 -0.760 -0.377) 1.566 14.858 ( 3.146 1.816 13.041) 13.538======================= Grid point 734 (131/165) =======================q-point: (-0.27 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.907 ( -5.832 -3.367 9.979) 12.039 2.204 ( -5.657 -3.266 6.938) 9.529 2.679 ( -14.689 -8.480 -5.238) 17.751 2.924 ( -11.329 -6.541 -15.634) 20.385 3.596 ( -2.036 -1.175 6.409) 6.827 3.983 ( -13.073 -7.548 -2.389) 15.283 4.148 ( -4.314 -2.491 0.060) 4.982 4.496 ( -9.443 -5.452 -0.674) 10.924 5.213 ( -4.689 -2.707 -2.672) 6.038 9.554 ( 14.983 8.650 -2.437) 17.471 10.782 ( 4.545 2.624 -4.163) 6.698 11.450 ( 9.269 5.352 -11.150) 15.456 12.389 ( -6.277 -3.624 2.206) 7.576 14.498 ( -1.454 -0.840 0.265) 1.700 14.952 ( 5.424 3.132 15.278) 16.512======================= Grid point 735 (132/165) =======================q-point: (-0.20 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.769 ( -5.800 -3.349 14.359) 15.845 2.072 ( -6.125 -3.536 16.985) 18.398 2.363 ( -11.421 -6.594 -14.244) 19.412 2.667 ( -10.497 -6.061 -17.327) 21.146 3.545 ( -2.183 -1.260 5.032) 5.628 3.614 ( -17.735 -10.239 8.396) 22.132 4.000 ( -7.329 -4.231 -6.698) 10.793 4.244 ( -12.389 -7.153 -2.694) 14.557 5.235 ( 6.824 3.940 -2.580) 8.292 9.889 ( 13.245 7.647 -2.688) 15.528 10.872 ( 2.003 1.157 -0.856) 2.466 11.679 ( 10.092 5.826 -12.208) 16.877 12.248 ( -5.629 -3.250 2.237) 6.874 14.444 ( -3.571 -2.062 0.875) 4.215 15.161 ( 13.817 7.977 15.490) 22.237======================= Grid point 736 (133/165) =======================q-point: (-0.13 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.647 ( -4.326 -2.497 18.120) 18.796 1.900 ( -8.283 -4.782 23.069) 24.973 2.176 ( -4.600 -2.656 -18.356) 19.109 2.441 ( -8.674 -5.008 -18.361) 20.915 3.193 ( -17.316 -9.997 18.223) 27.053 3.499 ( -1.606 -0.927 3.685) 4.125 3.815 ( -9.264 -5.349 -5.466) 12.012 3.964 ( -9.557 -5.518 -13.142) 17.161 5.518 ( 16.858 9.733 0.780) 19.481 10.157 ( 9.367 5.408 -1.643) 10.940 10.819 ( -7.303 -4.216 1.998) 8.666 11.900 ( 8.193 4.730 -10.346) 14.019 12.135 ( -3.853 -2.224 1.273) 4.627 14.324 ( -6.436 -3.716 0.945) 7.491 15.646 ( 27.490 15.872 12.784) 34.221======================= Grid point 737 (134/165) =======================q-point: (-0.07 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.579 ( -1.215 -0.701 20.224) 20.273 1.716 ( -6.876 -3.970 19.521) 21.074 2.124 ( -0.223 -0.129 -14.966) 14.969 2.267 ( -6.114 -3.530 -18.377) 19.687 2.851 ( -10.871 -6.276 27.769) 30.474 3.473 ( -0.643 -0.371 2.473) 2.582 3.584 ( -8.617 -4.975 0.396) 9.958 3.831 ( -2.820 -1.628 -25.726) 25.932 5.970 ( 19.379 11.188 2.957) 22.572 10.317 ( 4.163 2.403 0.847) 4.881 10.546 ( -13.956 -8.058 3.667) 16.527 12.041 ( 3.660 2.113 -6.287) 7.576 12.073 ( -1.350 -0.779 -0.925) 1.812 14.174 ( -5.500 -3.175 0.576) 6.377 16.342 ( 27.635 15.955 5.945) 32.459======================= Grid point 739 (135/165) =======================q-point: ( 0.07 0.07 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.664 ( 6.499 4.297 18.926) 20.467 1.844 ( 4.252 8.972 17.488) 20.109 2.147 ( 1.473 2.519 -12.679) 13.011 2.370 ( 2.519 7.564 -19.171) 20.763 3.066 ( 6.983 15.878 21.527) 27.645 3.510 ( 2.686 1.199 1.388) 3.252 3.751 ( 6.103 11.280 0.918) 12.858 3.904 ( 3.174 6.634 -19.645) 20.976 5.624 ( -11.574 -19.058 2.196) 22.405 10.172 ( -7.714 -6.764 2.686) 10.606 10.817 ( 10.059 9.593 -1.766) 14.012 11.849 ( -11.288 -8.729 -1.232) 14.323 12.171 ( 4.715 3.684 -3.789) 7.083 14.286 ( 4.210 6.866 0.648) 8.080 15.848 ( -14.896 -29.653 9.010) 34.385======================= Grid point 740 (136/165) =======================q-point: ( 0.13 0.07 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.873 ( 10.119 6.103 12.999) 17.567 2.028 ( 4.799 10.532 8.552) 14.391 2.244 ( 6.327 4.418 -2.408) 8.084 2.499 ( 3.774 7.437 -20.438) 22.073 3.377 ( 9.528 14.850 16.497) 24.155 3.584 ( 3.517 2.483 -0.655) 4.355 3.963 ( 6.724 6.598 -3.902) 10.196 4.117 ( 9.756 12.512 -5.267) 16.718 5.273 ( -9.766 -10.676 0.924) 14.499 9.932 ( -10.440 -8.729 3.355) 14.016 10.987 ( 1.014 1.965 -6.725) 7.079 11.518 ( -10.975 -13.242 5.533) 18.066 12.296 ( 3.823 5.951 -3.798) 8.028 14.422 ( 3.621 4.570 0.651) 5.867 15.375 ( -10.253 -16.542 6.199) 20.425======================= Grid point 741 (137/165) =======================q-point: ( 0.20 0.07 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.088 ( 6.494 5.296 -1.504) 8.513 2.216 ( 4.106 11.897 2.638) 12.859 2.472 ( 12.030 7.466 10.479) 17.614 2.672 ( 7.665 8.004 -18.001) 21.139 3.634 ( 5.890 3.337 4.405) 8.077 3.720 ( 6.910 11.115 6.732) 14.718 4.124 ( 4.459 4.313 -1.131) 6.306 4.429 ( 10.405 11.606 -1.388) 15.649 5.100 ( -0.874 -3.354 1.641) 3.834 9.637 ( -12.413 -9.403 2.902) 15.841 10.872 ( -11.534 -2.075 -3.074) 12.115 11.288 ( -1.331 -11.637 4.730) 12.632 12.423 ( 3.355 6.750 -3.034) 8.126 14.490 ( 0.720 1.717 1.386) 2.321 15.152 ( -2.624 -7.585 -0.004) 8.026======================= Grid point 742 (138/165) =======================q-point: ( 0.27 0.07 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.215 ( 1.610 7.000 -7.234) 10.195 2.405 ( 4.411 9.952 -3.374) 11.396 2.776 ( 11.999 9.256 12.968) 19.945 2.937 ( 12.289 8.928 -10.564) 18.503 3.722 ( 3.295 0.452 -2.011) 3.886 3.963 ( 7.383 8.953 9.342) 14.897 4.169 ( -2.753 1.770 2.205) 3.947 4.695 ( 8.535 8.379 -2.619) 12.244 5.183 ( 9.821 1.738 4.696) 11.024 9.317 ( -13.118 -8.777 2.276) 15.947 10.669 ( -7.614 -1.287 3.089) 8.317 11.159 ( -2.363 -9.288 0.381) 9.591 12.549 ( 3.098 6.808 -2.028) 7.749 14.501 ( 0.103 0.150 2.393) 2.400 15.070 ( -0.787 -5.033 -5.276) 7.334======================= Grid point 743 (139/165) =======================q-point: ( 0.33 0.07 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.296 ( -1.590 8.925 -5.729) 10.724 2.567 ( 3.393 8.074 -9.025) 12.576 3.066 ( 10.640 8.292 11.619) 17.803 3.251 ( 12.193 9.226 -4.187) 15.853 3.760 ( 1.494 -1.573 -2.653) 3.427 4.051 ( -6.888 2.257 7.290) 10.280 4.189 ( 5.578 4.116 1.701) 7.138 4.906 ( 7.485 5.184 -1.780) 9.277 5.405 ( 11.709 1.755 5.747) 13.161 9.017 ( -11.376 -7.012 1.864) 13.493 10.598 ( -0.553 0.988 4.934) 5.063 11.013 ( -4.502 -7.299 -0.940) 8.627 12.664 ( 2.087 6.433 -1.050) 6.844 14.509 ( 1.158 -0.520 3.094) 3.344 14.995 ( -2.215 -5.156 -8.042) 9.806======================= Grid point 744 (140/165) =======================q-point: ( 0.40 0.07 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.339 ( -4.502 10.108 -3.416) 11.580 2.674 ( 0.396 5.676 -9.889) 11.409 3.307 ( 8.438 5.835 10.056) 14.366 3.538 ( 9.887 8.788 -1.053) 13.270 3.735 ( -1.208 -4.121 -0.581) 4.334 3.923 ( -9.188 2.251 2.247) 9.723 4.315 ( 4.719 1.608 -0.176) 4.988 5.050 ( 4.416 1.989 -0.196) 4.847 5.592 ( 8.542 -0.971 4.846) 9.869 8.798 ( -6.564 -4.006 1.577) 7.850 10.654 ( 4.530 2.298 3.117) 5.959 10.866 ( -4.788 -5.102 -0.576) 7.020 12.745 ( 0.012 5.537 -0.247) 5.543 14.533 ( 2.294 -0.733 3.675) 4.394 14.890 ( -3.371 -5.291 -8.024) 10.185======================= Grid point 745 (141/165) =======================q-point: ( 0.47 0.07 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.342 ( -7.186 10.541 -1.212) 12.815 2.684 ( -4.032 2.401 -6.689) 8.171 3.469 ( 4.689 2.133 7.172) 8.830 3.638 ( -4.460 -3.796 4.361) 7.302 3.749 ( -1.664 2.858 -1.639) 3.691 3.807 ( 0.393 5.657 -3.285) 6.553 4.381 ( 2.114 -0.463 -3.082) 3.766 5.092 ( -0.254 -1.055 1.268) 1.669 5.671 ( 3.423 -4.420 3.385) 6.535 8.721 ( 0.415 -0.083 1.124) 1.201 10.749 ( -3.053 -2.885 -1.618) 4.501 10.786 ( 6.673 2.227 0.173) 7.037 12.771 ( -2.701 4.103 0.371) 4.926 14.567 ( 2.139 -1.017 3.397) 4.141 14.788 ( -2.121 -4.042 -4.362) 6.314======================= Grid point 747 (142/165) =======================q-point: (-0.47 0.07 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.300 ( -9.588 10.243 0.907) 14.060 2.591 ( -7.126 -0.466 -2.091) 7.442 3.423 ( -7.238 -6.335 1.726) 9.772 3.544 ( -8.308 -0.199 -3.286) 8.936 3.645 ( -1.417 -0.013 3.984) 4.228 3.985 ( 5.970 6.818 -1.403) 9.170 4.380 ( -1.058 -1.734 -5.745) 6.093 5.020 ( -5.269 -3.312 2.397) 6.669 5.622 ( -2.054 -7.504 2.075) 8.052 8.811 ( 7.493 3.662 0.390) 8.349 10.687 ( -1.462 -0.754 -1.168) 2.017 10.939 ( 8.310 1.005 -5.793) 10.180 12.733 ( -5.323 2.483 0.833) 5.932 14.569 ( -0.275 -1.913 -0.037) 1.933 14.760 ( 1.951 -1.135 4.244) 4.807======================= Grid point 748 (143/165) =======================q-point: (-0.40 0.07 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.212 ( -11.433 8.805 3.140) 14.768 2.445 ( -7.811 -1.371 1.760) 8.124 3.176 ( -12.360 -7.345 0.810) 14.400 3.327 ( -11.671 -4.676 -11.631) 17.128 3.650 ( -0.570 0.808 7.404) 7.469 4.129 ( 3.534 4.435 -0.727) 5.717 4.306 ( -4.943 -2.672 -7.211) 9.142 4.852 ( -9.308 -3.766 2.709) 10.400 5.459 ( -6.140 -9.350 0.738) 11.211 9.043 ( 12.779 5.989 -0.556) 14.124 10.686 ( 0.908 1.663 -3.106) 3.639 11.094 ( 9.571 -1.262 -8.403) 12.799 12.640 ( -7.264 1.351 1.120) 7.473 14.540 ( -0.795 -1.138 -1.023) 1.724 14.810 ( 3.596 0.357 10.221) 10.841======================= Grid point 749 (144/165) =======================q-point: (-0.33 0.07 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.080 ( -11.958 6.095 6.016) 14.709 2.303 ( -7.466 -0.028 5.252) 9.128 2.855 ( -14.835 -8.075 -2.102) 17.021 3.062 ( -11.915 -6.343 -14.357) 19.706 3.630 ( -2.188 0.298 6.396) 6.766 4.136 ( -10.266 -3.451 -5.400) 12.102 4.183 ( -1.481 -0.479 0.999) 1.849 4.642 ( -10.821 -1.594 1.102) 10.993 5.251 ( -5.789 -8.460 -1.359) 10.341 9.358 ( 15.478 6.188 -1.527) 16.739 10.755 ( 3.231 4.626 -4.347) 7.123 11.250 ( 11.704 -4.644 -8.612) 15.255 12.515 ( -8.292 1.324 1.070) 8.465 14.520 ( -1.028 0.102 -0.457) 1.130 14.887 ( 4.477 1.277 12.981) 13.790======================= Grid point 750 (145/165) =======================q-point: (-0.27 0.07 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.926 ( -11.200 4.024 9.980) 15.531 2.179 ( -7.627 1.192 11.525) 13.871 2.515 ( -13.977 -7.566 -8.226) 17.896 2.793 ( -11.074 -6.363 -16.522) 20.883 3.585 ( -3.063 0.016 5.364) 6.177 3.842 ( -16.739 -6.074 3.740) 18.196 4.096 ( -6.542 -1.948 -3.764) 7.795 4.423 ( -13.284 -2.083 -0.334) 13.450 5.153 ( 2.739 -2.942 -2.976) 5.001 9.690 ( 15.685 4.263 -1.955) 16.372 10.874 ( 2.777 6.457 -2.832) 7.577 11.419 ( 15.167 -7.765 -8.100) 18.866 12.384 ( -8.477 2.245 0.333) 8.775 14.494 ( -2.673 0.271 0.339) 2.708 15.017 ( 8.789 3.474 13.565) 16.532======================= Grid point 751 (146/165) =======================q-point: (-0.20 0.07 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.778 ( -9.677 3.383 14.591) 17.833 2.036 ( -10.033 -0.238 21.352) 23.593 2.253 ( -8.039 -3.830 -16.951) 19.148 2.554 ( -9.520 -4.626 -18.373) 21.203 3.435 ( -17.854 -6.153 13.932) 23.468 3.551 ( -4.800 1.046 2.581) 5.549 3.945 ( -8.625 -0.959 -7.652) 11.570 4.134 ( -15.035 -3.539 -4.241) 16.018 5.293 ( 13.555 1.252 -0.883) 13.642 9.977 ( 13.677 0.772 -0.781) 13.721 10.931 ( -3.685 4.192 -1.085) 5.686 11.634 ( 17.431 -7.116 -5.666) 19.662 12.266 ( -7.829 2.723 -1.364) 8.400 14.418 ( -5.975 -0.520 0.816) 6.053 15.314 ( 20.513 6.186 12.349) 24.729======================= Grid point 756 (147/165) =======================q-point: ( 0.13 0.13 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.015 ( 9.172 7.830 6.245) 13.581 2.249 ( 9.057 9.127 16.682) 21.062 2.391 ( 3.638 11.635 -9.714) 15.587 2.685 ( 2.102 10.858 -17.512) 20.711 3.593 ( 3.160 3.682 5.140) 7.068 3.747 ( 5.291 15.386 6.918) 17.679 4.088 ( 4.672 5.738 -5.376) 9.146 4.401 ( 8.241 14.433 0.621) 16.632 5.106 ( -4.697 -5.228 -1.349) 7.157 9.717 ( -8.863 -12.294 0.290) 15.158 10.997 ( 1.235 -1.578 -4.512) 4.937 11.237 ( -13.538 -12.745 0.993) 18.620 12.425 ( 4.856 6.486 -2.143) 8.381 14.497 ( 1.252 2.569 0.882) 2.991 15.094 ( -1.869 -10.852 7.056) 13.078======================= Grid point 757 (148/165) =======================q-point: ( 0.20 0.13 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.224 ( 5.739 7.966 -1.827) 9.987 2.491 ( 3.221 14.578 4.429) 15.572 2.647 ( 13.001 9.907 4.554) 16.968 2.864 ( 6.197 10.853 -14.098) 18.840 3.673 ( 3.046 1.349 1.820) 3.796 3.970 ( 3.988 11.957 7.248) 14.539 4.202 ( 2.215 3.305 -2.017) 4.461 4.677 ( 6.436 12.296 0.980) 13.913 5.054 ( 3.503 -1.221 0.553) 3.750 9.427 ( -10.422 -11.294 0.840) 15.390 10.842 ( -13.301 -1.430 0.546) 13.389 11.048 ( 2.669 -10.677 -0.711) 11.029 12.569 ( 3.638 7.385 -1.968) 8.464 14.511 ( -0.820 0.316 1.974) 2.161 15.004 ( 0.859 -6.883 0.219) 6.939======================= Grid point 758 (149/165) =======================q-point: ( 0.27 0.13 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.389 ( 2.983 9.715 -2.625) 10.497 2.663 ( -0.522 15.379 -4.981) 16.174 2.976 ( 11.091 10.238 9.304) 17.731 3.129 ( 11.937 9.671 -8.666) 17.639 3.721 ( 1.676 -0.547 0.561) 1.850 4.128 ( 2.922 6.842 6.219) 9.697 4.216 ( -3.528 2.623 -0.025) 4.396 4.863 ( 3.973 8.000 -0.973) 8.986 5.198 ( 11.810 -0.404 3.682) 12.378 9.132 ( -10.717 -9.510 1.185) 14.377 10.660 ( -6.004 -0.051 4.459) 7.479 10.976 ( -0.507 -7.955 -1.991) 8.216 12.703 ( 2.554 8.077 -1.491) 8.601 14.493 ( -0.440 -0.959 2.772) 2.966 14.950 ( 0.179 -6.610 -4.762) 8.149======================= Grid point 759 (150/165) =======================q-point: ( 0.33 0.13 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.521 ( -0.854 12.081 0.724) 12.133 2.786 ( -2.702 13.951 -11.005) 17.973 3.228 ( 7.762 7.224 8.221) 13.417 3.447 ( 12.005 9.966 -2.743) 15.842 3.716 ( -0.440 -2.395 0.927) 2.605 4.113 ( -8.523 3.339 1.624) 9.297 4.254 ( 3.763 2.099 1.327) 4.509 4.995 ( 4.195 3.554 -0.500) 5.520 5.393 ( 11.270 -2.813 4.014) 12.290 8.877 ( -8.250 -6.827 1.473) 10.809 10.625 ( 0.715 1.394 4.776) 5.027 10.875 ( -2.693 -5.767 -1.267) 6.490 12.815 ( 0.561 8.178 -0.892) 8.245 14.487 ( 1.288 -1.577 3.021) 3.643 14.869 ( -1.464 -7.007 -6.886) 9.933======================= Grid point 760 (151/165) =======================q-point: ( 0.40 0.13 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.598 ( -5.191 13.645 4.328) 15.228 2.833 ( -6.747 10.927 -12.650) 18.026 3.397 ( 5.825 2.371 7.468) 9.763 3.664 ( -2.321 -2.249 2.250) 3.938 3.731 ( 8.310 10.107 -0.100) 13.085 3.970 ( -10.351 1.797 -1.884) 10.674 4.326 ( 3.272 -0.389 -1.377) 3.571 5.070 ( 1.886 0.069 0.672) 2.003 5.515 ( 7.610 -6.336 3.105) 10.378 8.727 ( -2.652 -3.179 1.567) 4.427 10.692 ( 4.634 1.107 1.456) 4.982 10.777 ( -2.744 -3.249 0.548) 4.288 12.879 ( -2.451 7.291 -0.270) 7.696 14.507 ( 2.750 -1.659 2.782) 4.249 14.769 ( -1.692 -6.406 -5.833) 8.827======================= Grid point 761 (152/165) =======================q-point: (-0.53 0.13 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.616 ( -8.660 13.852 6.686) 17.652 2.764 ( -11.299 6.983 -9.685) 16.438 3.446 ( -1.030 -3.830 3.569) 5.335 3.623 ( -0.750 1.641 4.722) 5.055 3.760 ( -11.437 -1.219 -3.861) 12.132 3.968 ( 5.306 8.780 -0.362) 10.265 4.358 ( 1.455 -1.442 -4.257) 4.724 5.057 ( -2.118 -1.984 1.701) 3.364 5.526 ( 2.743 -9.459 2.088) 10.068 8.729 ( 4.408 0.678 1.305) 4.647 10.701 ( -1.406 -1.719 -0.873) 2.386 10.811 ( 6.330 0.264 -1.011) 6.416 12.873 ( -5.574 5.525 0.251) 7.853 14.534 ( 1.803 -2.097 0.273) 2.779 14.707 ( 1.261 -3.667 -0.169) 3.882======================= Grid point 762 (153/165) =======================q-point: (-0.47 0.13 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.579 ( -11.165 13.328 8.053) 19.161 2.596 ( -13.296 3.644 -5.682) 14.911 3.299 ( -9.027 -5.699 1.633) 10.800 3.500 ( -12.943 -4.289 -8.512) 16.074 3.662 ( 0.541 1.345 5.511) 5.698 4.123 ( 3.252 6.286 0.829) 7.126 4.343 ( -1.643 -1.527 -6.005) 6.410 4.963 ( -6.237 -1.587 2.207) 6.804 5.424 ( -2.062 -11.430 1.206) 11.677 8.886 ( 10.552 3.363 0.716) 11.098 10.686 ( 0.594 0.557 -1.292) 1.527 10.921 ( 7.214 -2.472 -4.853) 9.039 12.800 ( -7.775 3.652 0.454) 8.602 14.527 ( 0.468 -2.062 -1.781) 2.764 14.741 ( 4.187 -0.478 5.904) 7.254======================= Grid point 763 (154/165) =======================q-point: (-0.40 0.13 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.390 ( -13.579 2.888 -2.471) 14.101 2.499 ( -11.917 11.145 9.429) 18.845 3.032 ( -13.822 -6.854 0.547) 15.438 3.216 ( -12.859 -6.248 -12.720) 19.136 3.669 ( -1.219 1.061 5.112) 5.362 4.198 ( 0.092 1.467 1.664) 2.220 4.259 ( -6.334 -1.512 -5.129) 8.289 4.824 ( -9.265 1.782 2.016) 9.648 5.241 ( -4.639 -11.385 -0.170) 12.295 9.146 ( 14.343 3.793 -0.098) 14.836 10.742 ( 3.572 3.640 -2.526) 5.691 11.010 ( 7.975 -6.468 -5.585) 11.689 12.685 ( -8.622 2.461 0.125) 8.968 14.522 ( 0.621 -0.741 -0.811) 1.262 14.822 ( 4.424 1.281 7.976) 9.210======================= Grid point 764 (155/165) =======================q-point: (-0.33 0.13 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.189 ( -12.473 2.944 1.255) 12.877 2.391 ( -11.905 8.854 11.640) 18.857 2.697 ( -15.268 -7.304 -3.433) 17.270 2.933 ( -12.139 -5.796 -14.987) 20.139 3.644 ( -2.764 1.033 4.249) 5.174 4.049 ( -12.297 -4.674 3.292) 13.561 4.184 ( -4.315 0.745 -3.223) 5.437 4.659 ( -13.037 2.205 2.129) 13.393 5.087 ( -0.784 -6.432 -2.144) 6.825 9.443 ( 15.669 1.834 -0.652) 15.790 10.884 ( 5.180 7.806 -2.829) 9.786 11.077 ( 10.817 -11.295 -3.887) 16.115 12.556 ( -8.466 1.853 -0.801) 8.704 14.524 ( -0.301 -0.120 0.331) 0.463 14.926 ( 5.416 2.977 8.021) 10.126======================= Grid point 772 (156/165) =======================q-point: ( 0.20 0.20 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.405 ( 5.710 9.681 -1.860) 11.392 2.749 ( 15.097 9.928 11.505) 21.421 2.901 ( 4.015 15.218 -2.900) 16.003 3.104 ( 3.321 12.604 -12.590) 18.122 3.692 ( 1.599 0.390 2.792) 3.241 4.168 ( 0.540 6.650 4.576) 8.091 4.259 ( 1.601 2.664 -2.906) 4.255 4.898 ( 6.821 8.235 2.836) 11.062 5.063 ( -0.658 3.093 -0.916) 3.292 9.184 ( -7.579 -12.495 0.454) 14.621 10.777 ( -7.057 -4.974 2.131) 8.893 10.909 ( -1.284 -3.091 -4.351) 5.490 12.718 ( 4.819 7.299 -1.076) 8.812 14.504 ( -1.590 -0.826 1.419) 2.286 14.873 ( 0.618 -6.172 1.304) 6.339======================= Grid point 773 (157/165) =======================q-point: ( 0.27 0.20 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.597 ( 4.320 10.548 -0.542) 11.411 3.004 ( -0.616 17.006 2.057) 17.141 3.181 ( 8.928 10.084 3.123) 13.826 3.319 ( 10.637 8.963 -9.277) 16.720 3.702 ( 0.054 -1.259 2.103) 2.451 4.224 ( 0.679 2.281 4.207) 4.833 4.270 ( -3.327 2.702 -2.080) 4.764 5.011 ( -0.905 6.361 0.388) 6.436 5.168 ( 10.228 -2.332 2.085) 10.696 8.934 ( -7.492 -9.852 1.176) 12.433 10.656 ( -3.198 -0.362 4.183) 5.278 10.854 ( -1.195 -4.140 -2.461) 4.963 12.869 ( 3.179 8.092 -1.076) 8.761 14.468 ( -0.947 -1.312 1.968) 2.548 14.809 ( -0.308 -7.180 -3.360) 7.933======================= Grid point 774 (158/165) =======================q-point: ( 0.33 0.20 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.755 ( 0.731 10.976 2.633) 11.311 3.124 ( -6.157 18.304 -6.282) 20.308 3.334 ( 2.949 2.793 4.081) 5.758 3.646 ( 13.027 9.069 -1.568) 15.950 3.678 ( -0.701 -0.717 1.423) 1.741 4.160 ( -8.669 0.342 -0.247) 8.680 4.281 ( 1.587 1.144 -0.260) 1.974 5.049 ( 0.612 1.845 0.500) 2.007 5.300 ( 8.981 -6.054 2.195) 11.051 8.742 ( -4.405 -6.363 1.599) 7.903 10.648 ( 1.430 0.947 3.911) 4.270 10.786 ( -2.050 -3.178 -0.301) 3.794 12.982 ( 0.098 7.916 -0.881) 7.965 14.455 ( 1.084 -1.277 1.785) 2.448 14.721 ( -1.015 -7.402 -4.988) 8.984======================= Grid point 775 (159/165) =======================q-point: ( 0.40 0.20 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.826 ( -4.506 8.852 5.050) 11.143 3.138 ( -13.314 17.789 -8.581) 23.818 3.385 ( 3.419 -3.106 5.361) 7.076 3.654 ( -1.240 0.880 2.377) 2.822 3.935 ( 4.951 9.055 2.202) 10.553 3.967 ( -8.409 -2.519 -4.595) 9.908 4.316 ( 1.711 -0.038 -2.558) 3.078 5.062 ( -0.159 -0.495 1.190) 1.298 5.352 ( 5.691 -9.218 1.646) 10.958 8.669 ( 1.456 -2.468 1.711) 3.337 10.691 ( 1.141 -0.976 0.343) 1.540 10.742 ( 1.164 -0.464 2.263) 2.586 13.022 ( -3.925 6.352 -0.497) 7.484 14.477 ( 2.322 -1.120 0.290) 2.594 14.643 ( 0.532 -5.641 -2.900) 6.365======================= Grid point 777 (160/165) =======================q-point: (-0.53 0.20 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.770 ( -8.980 3.607 2.807) 10.076 3.045 ( -16.356 16.813 -0.784) 23.470 3.363 ( -3.141 -3.380 2.089) 5.065 3.656 ( -1.228 0.405 2.316) 2.652 3.690 ( -11.850 -5.373 -5.386) 14.082 4.132 ( 3.888 6.710 2.267) 8.079 4.336 ( 0.800 -0.661 -4.708) 4.821 5.035 ( -2.643 0.560 1.607) 3.144 5.312 ( 1.461 -10.933 1.141) 11.089 8.743 ( 7.812 0.539 1.508) 7.974 10.675 ( 0.134 -1.084 0.651) 1.272 10.803 ( 4.454 -0.775 -0.904) 4.611 12.975 ( -7.234 4.012 -0.210) 8.274 14.489 ( 1.028 -2.255 -2.009) 3.191 14.655 ( 4.599 -1.064 1.601) 4.984======================= Grid point 778 (161/165) =======================q-point: (-0.47 0.20 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.605 ( -11.326 0.413 -0.680) 11.354 2.916 ( -16.779 14.956 7.065) 23.561 3.195 ( -11.392 -4.512 1.369) 12.329 3.377 ( -12.827 -7.107 -11.781) 18.810 3.686 ( 0.534 0.949 3.470) 3.637 4.213 ( 0.268 2.196 3.049) 3.768 4.320 ( -2.001 -1.143 -4.174) 4.768 4.989 ( -5.550 4.646 1.968) 7.501 5.189 ( -2.444 -10.652 0.343) 10.934 8.936 ( 12.436 1.353 1.008) 12.550 10.694 ( 3.189 -0.427 0.842) 3.325 10.863 ( 4.033 -2.316 -3.307) 5.707 12.861 ( -8.748 1.955 -0.400) 8.973 14.489 ( 1.493 -1.634 -0.375) 2.245 14.753 ( 5.442 1.839 2.197) 6.150======================= Grid point 789 (162/165) =======================q-point: ( 0.27 0.27 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.807 ( 5.444 9.802 0.964) 11.254 3.250 ( 4.133 5.925 10.966) 13.132 3.402 ( 11.070 9.265 -3.325) 14.814 3.518 ( 1.446 13.015 -10.632) 16.868 3.678 ( 0.033 -0.572 2.261) 2.332 4.218 ( -0.023 -3.046 3.635) 4.742 4.313 ( -1.968 1.302 -3.861) 4.526 5.100 ( 2.607 -0.154 1.835) 3.192 5.131 ( -1.763 1.513 0.316) 2.345 8.749 ( -4.600 -7.952 1.546) 9.316 10.653 ( -0.892 0.326 3.177) 3.316 10.790 ( -1.967 -2.654 -0.766) 3.391 13.020 ( 4.051 6.517 -0.840) 7.719 14.451 ( -1.396 -0.157 -0.075) 1.406 14.667 ( -1.437 -6.551 -1.821) 6.950======================= Grid point 790 (163/165) =======================q-point: ( 0.33 0.27 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.968 ( 0.225 10.047 2.913) 10.464 3.291 ( 1.852 -3.959 6.001) 7.424 3.519 ( -8.639 16.728 -5.859) 19.717 3.676 ( 0.102 0.852 2.236) 2.395 3.812 ( 14.021 5.878 -3.250) 15.546 4.105 ( -7.507 -5.293 1.153) 9.257 4.313 ( -0.090 1.661 -2.688) 3.161 5.074 ( -1.839 0.752 1.015) 2.231 5.172 ( 5.069 -5.802 1.116) 7.785 8.632 ( -1.230 -4.098 1.733) 4.616 10.668 ( 1.147 1.083 3.197) 3.565 10.735 ( -1.274 -2.115 1.505) 2.892 13.119 ( 0.016 5.124 -1.064) 5.233 14.446 ( 0.617 0.679 -0.331) 0.976 14.581 ( -0.581 -6.127 -3.021) 6.857======================= Grid point 791 (164/165) =======================q-point: (-0.60 0.27 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.969 ( -8.670 4.701 3.030) 10.318 3.292 ( 2.398 -3.331 5.699) 7.023 3.504 ( -11.644 15.524 -4.284) 19.873 3.672 ( -1.024 0.304 2.309) 2.544 3.832 ( -10.921 -9.472 -5.437) 15.445 4.092 ( 7.722 4.858 2.560) 9.476 4.324 ( -0.034 0.260 -3.537) 3.547 5.070 ( -0.112 1.976 1.245) 2.338 5.175 ( 2.820 -7.269 0.910) 7.849 8.632 ( 4.167 -0.988 1.732) 4.619 10.671 ( -1.007 -0.702 2.440) 2.732 10.738 ( 2.780 -0.172 1.681) 3.253 13.117 ( -4.613 2.642 -0.932) 5.397 14.460 ( -0.025 -0.882 -1.753) 1.962 14.563 ( 4.186 -1.560 -1.234) 4.635======================= Grid point 805 (165/165) =======================q-point: ( 0.33 0.33 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 270Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.158 ( -3.760 -7.520 3.876) 9.258 3.158 ( 3.760 7.520 3.876) 9.258 3.680 ( 0.000 -0.000 3.351) 3.351 3.806 ( -3.978 -7.955 -5.247) 10.326 3.806 ( 3.978 7.955 -5.247) 10.326 4.020 ( 0.000 -0.000 3.667) 3.667 4.331 ( -0.000 -0.000 -3.478) 3.478 5.093 ( -0.817 -1.635 0.994) 2.081 5.093 ( 0.817 1.635 0.994) 2.081 8.589 ( -0.000 -0.000 1.746) 1.746 10.696 ( -0.770 -1.540 2.778) 3.268 10.696 ( 0.770 1.540 2.778) 3.268 13.173 ( -0.000 -0.000 -1.263) 1.263 14.485 ( -1.366 -2.731 -1.815) 3.552 14.485 ( 1.366 2.731 -1.815) 3.552=================== 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 2579.220 2579.220 2281.323 0.000 0.000 -0.000 3/23625 20.0 745.454 745.454 681.955 0.000 0.000 0.000 3/23625 30.0 277.201 277.201 239.879 0.000 0.000 0.000 3/23625 40.0 157.880 157.880 137.540 0.000 0.000 0.000 3/23625 50.0 112.186 112.186 99.343 0.000 0.000 0.000 3/23625 60.0 88.348 88.348 79.272 0.000 0.000 0.000 3/23625 70.0 73.223 73.223 66.324 0.000 0.000 0.000 3/23625 80.0 62.426 62.426 56.933 0.000 0.000 0.000 3/23625 90.0 54.182 54.182 49.671 0.000 0.000 0.000 3/23625 100.0 47.647 47.647 43.861 0.000 0.000 0.000 3/23625 110.0 42.350 42.350 39.120 0.000 0.000 0.000 3/23625 120.0 37.993 37.993 35.203 0.000 0.000 0.000 3/23625 130.0 34.369 34.369 31.932 0.000 0.000 0.000 3/23625 140.0 31.324 31.324 29.177 0.000 0.000 0.000 3/23625 150.0 28.741 28.741 26.835 0.000 0.000 0.000 3/23625 160.0 26.532 26.532 24.827 0.000 0.000 0.000 3/23625 170.0 24.626 24.626 23.091 0.000 0.000 0.000 3/23625 180.0 22.969 22.969 21.579 0.000 0.000 0.000 3/23625 190.0 21.517 21.517 20.252 0.000 0.000 0.000 3/23625 200.0 20.237 20.237 19.079 0.000 0.000 0.000 3/23625 210.0 19.100 19.100 18.035 0.000 0.000 0.000 3/23625 220.0 18.085 18.085 17.102 0.000 0.000 0.000 3/23625 230.0 17.173 17.173 16.262 0.000 0.000 0.000 3/23625 240.0 16.351 16.351 15.502 0.000 0.000 0.000 3/23625 250.0 15.605 15.605 14.812 0.000 0.000 0.000 3/23625 260.0 14.925 14.925 14.182 0.000 0.000 0.000 3/23625 270.0 14.303 14.303 13.605 0.000 0.000 0.000 3/23625 280.0 13.733 13.733 13.074 0.000 0.000 0.000 3/23625 290.0 13.207 13.207 12.585 0.000 0.000 0.000 3/23625 300.0 12.721 12.721 12.131 0.000 0.000 0.000 3/23625 310.0 12.270 12.270 11.710 0.000 0.000 0.000 3/23625 320.0 11.851 11.851 11.319 0.000 -0.000 0.000 3/23625 330.0 11.461 11.461 10.953 0.000 -0.000 0.000 3/23625 340.0 11.096 11.096 10.611 0.000 -0.000 0.000 3/23625 350.0 10.754 10.754 10.290 0.000 -0.000 0.000 3/23625 360.0 10.434 10.434 9.988 0.000 -0.000 0.000 3/23625 370.0 10.132 10.132 9.704 0.000 -0.000 0.000 3/23625 380.0 9.848 9.848 9.436 0.000 -0.000 0.000 3/23625 390.0 9.579 9.579 9.183 0.000 -0.000 0.000 3/23625 400.0 9.326 9.326 8.944 0.000 -0.000 0.000 3/23625 410.0 9.086 9.086 8.716 0.000 -0.000 0.000 3/23625 420.0 8.858 8.858 8.501 0.000 -0.000 0.000 3/23625 430.0 8.641 8.641 8.296 0.000 -0.000 0.000 3/23625 440.0 8.435 8.435 8.101 0.000 -0.000 0.000 3/23625 450.0 8.239 8.239 7.915 0.000 -0.000 0.000 3/23625 460.0 8.052 8.052 7.738 0.000 -0.000 0.000 3/23625 470.0 7.874 7.874 7.568 0.000 -0.000 0.000 3/23625 480.0 7.703 7.703 7.406 0.000 -0.000 0.000 3/23625 490.0 7.540 7.540 7.251 0.000 -0.000 0.000 3/23625 500.0 7.384 7.384 7.102 0.000 -0.000 0.000 3/23625 510.0 7.234 7.234 6.960 0.000 -0.000 0.000 3/23625 520.0 7.090 7.090 6.823 0.000 -0.000 0.000 3/23625 530.0 6.952 6.952 6.691 0.000 -0.000 0.000 3/23625 540.0 6.820 6.820 6.565 0.000 -0.000 0.000 3/23625 550.0 6.692 6.692 6.443 0.000 -0.000 0.000 3/23625 560.0 6.569 6.569 6.326 0.000 -0.000 0.000 3/23625 570.0 6.451 6.451 6.213 0.000 -0.000 0.000 3/23625 580.0 6.337 6.337 6.104 0.000 -0.000 0.000 3/23625 590.0 6.227 6.227 5.999 0.000 -0.000 0.000 3/23625 600.0 6.121 6.121 5.898 0.000 -0.000 0.000 3/23625 610.0 6.018 6.018 5.799 0.000 -0.000 0.000 3/23625 620.0 5.919 5.919 5.705 0.000 -0.000 0.000 3/23625 630.0 5.823 5.823 5.613 0.000 -0.000 0.000 3/23625 640.0 5.730 5.730 5.524 0.000 -0.000 0.000 3/23625 650.0 5.641 5.641 5.438 0.000 -0.000 0.000 3/23625 660.0 5.554 5.554 5.355 0.000 -0.000 0.000 3/23625 670.0 5.469 5.469 5.274 0.000 -0.000 0.000 3/23625 680.0 5.387 5.387 5.196 0.000 -0.000 0.000 3/23625 690.0 5.308 5.308 5.120 0.000 -0.000 0.000 3/23625 700.0 5.231 5.231 5.046 0.000 -0.000 0.000 3/23625 710.0 5.156 5.156 4.974 0.000 -0.000 0.000 3/23625 720.0 5.084 5.084 4.904 0.000 -0.000 0.000 3/23625 730.0 5.013 5.013 4.837 0.000 -0.000 0.000 3/23625 740.0 4.944 4.944 4.771 0.000 -0.000 0.000 3/23625 750.0 4.878 4.878 4.707 0.000 -0.000 0.000 3/23625 760.0 4.813 4.813 4.644 0.000 -0.000 0.000 3/23625 770.0 4.749 4.749 4.584 0.000 -0.000 0.000 3/23625 780.0 4.688 4.688 4.525 0.000 -0.000 0.000 3/23625 790.0 4.628 4.628 4.467 0.000 -0.000 0.000 3/23625 800.0 4.569 4.569 4.411 0.000 -0.000 0.000 3/23625 810.0 4.512 4.512 4.356 0.000 -0.000 0.000 3/23625 820.0 4.457 4.457 4.303 0.000 -0.000 0.000 3/23625 830.0 4.403 4.403 4.251 0.000 -0.000 0.000 3/23625 840.0 4.350 4.350 4.200 0.000 -0.000 0.000 3/23625 850.0 4.298 4.298 4.150 0.000 -0.000 0.000 3/23625 860.0 4.248 4.248 4.102 0.000 -0.000 0.000 3/23625 870.0 4.199 4.199 4.054 0.000 -0.000 0.000 3/23625 880.0 4.151 4.151 4.008 0.000 -0.000 0.000 3/23625 890.0 4.104 4.104 3.963 0.000 -0.000 0.000 3/23625 900.0 4.058 4.058 3.919 0.000 -0.000 0.000 3/23625 910.0 4.013 4.013 3.876 0.000 -0.000 0.000 3/23625 920.0 3.969 3.969 3.833 0.000 -0.000 0.000 3/23625 930.0 3.926 3.926 3.792 0.000 -0.000 0.000 3/23625 940.0 3.884 3.884 3.752 0.000 -0.000 0.000 3/23625 950.0 3.843 3.843 3.712 0.000 -0.000 0.000 3/23625 960.0 3.803 3.803 3.673 0.000 -0.000 0.000 3/23625 970.0 3.763 3.763 3.635 0.000 -0.000 0.000 3/23625 980.0 3.724 3.724 3.598 0.000 -0.000 0.000 3/23625 990.0 3.687 3.687 3.562 0.000 -0.000 0.000 3/23625 1000.0 3.650 3.650 3.526 0.000 -0.000 0.000 3/23625Thermal conductivity related properties were written into "kappa-m15157.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 23:32:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|