# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/28325f6f-6ba9-4eca-a0f9-adc9fb62e014/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 Cs2NaAlF6 / R-3m (166) / materials id 6528](https://mdr.nims.go.jp/datasets/94576425-b61c-4d11-8cc4-695b66c4d3d3) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 21:48:19]-------------------------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: [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)Number of symmetry operations in supercell: 36------------------------------ primitive cell ------------------------------Lattice vectors: a 3.069552940302587 1.772207216375502 9.935364266666655 b -3.069552940302581 1.772207216375502 9.935364266666655 c 0.000000000000003 -3.544414432751010 9.935364266666655Atomic positions (fractional): *1 F 0.67705830205621 0.25123246101659 0.67705830205621 18.998 2 F 0.74876753898341 0.32294169794379 0.32294169794379 18.998 3 F 0.32294169794379 0.32294169794379 0.74876753898341 18.998 4 F 0.67705830205621 0.67705830205621 0.25123246101659 18.998 *5 F 0.89811704995798 0.31321885213999 0.89811704995798 18.998 6 F 0.31321885213999 0.89811704995798 0.89811704995798 18.998 7 F 0.89811704995798 0.89811704995798 0.31321885213999 18.998 8 F 0.25123246101659 0.67705830205621 0.67705830205621 18.998 9 F 0.10188295004202 0.68678114786001 0.10188295004202 18.998 10 F 0.68678114786001 0.10188295004202 0.10188295004202 18.998 11 F 0.10188295004202 0.10188295004202 0.68678114786001 18.998 12 F 0.32294169794379 0.74876753898341 0.32294169794379 18.998 *13 Na 0.09792811974500 0.09792811974500 0.09792811974500 22.990 14 Na 0.90207188025500 0.90207188025500 0.90207188025500 22.990 *15 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 *16 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 *17 Cs 0.78064007969486 0.78064007969486 0.78064007969487 132.905 18 Cs 0.21935992030513 0.21935992030514 0.21935992030513 132.905 *19 Cs 0.37209761074675 0.37209761074675 0.37209761074675 132.905 20 Cs 0.62790238925325 0.62790238925325 0.62790238925325 132.905-------------------------------- unit cell ---------------------------------Lattice vectors: a 6.139105880605168 0.000000000000000 0.000000000000000 b -3.069552940302584 5.316621649126512 0.000000000000000 c 0.000000000000000 0.000000000000000 29.806092799999995Atomic positions (fractional): *1 F 0.47527528034654 0.52472471965346 0.20178302170967 18.998 > 1 2 F 0.61721722735975 0.80860861367987 0.13155031162366 18.998 > 2 3 F 0.19139138632013 0.38278277264025 0.13155031162366 18.998 > 3 4 F 0.47527528034654 0.95055056069308 0.20178302170967 18.998 > 4 *5 F 0.86163273260600 0.13836726739400 0.03648431735198 18.998 > 5 6 F 0.27673453478801 0.13836726739400 0.03648431735198 18.998 > 6 7 F 0.86163273260600 0.72326546521199 0.03648431735198 18.998 > 7 8 F 0.04944943930692 0.52472471965346 0.20178302170967 18.998 > 8 9 F 0.80503393406067 0.19496606593933 0.29684901598135 18.998 > 9 10 F 0.38993213187866 0.19496606593933 0.29684901598135 18.998 > 10 11 F 0.80503393406067 0.61006786812134 0.29684901598135 18.998 > 11 12 F 0.19139138632013 0.80860861367987 0.13155031162366 18.998 > 12 13 F 0.14194194701321 0.85805805298679 0.53511635504301 18.998 > 1 14 F 0.28388389402641 0.14194194701321 0.46488364495700 18.998 > 2 15 F 0.85805805298679 0.71611610597359 0.46488364495700 18.998 > 3 16 F 0.14194194701321 0.28388389402641 0.53511635504301 18.998 > 4 17 F 0.52829939927266 0.47170060072734 0.36981765068532 18.998 > 5 18 F 0.94340120145467 0.47170060072734 0.36981765068532 18.998 > 6 19 F 0.52829939927266 0.05659879854533 0.36981765068532 18.998 > 7 20 F 0.71611610597359 0.85805805298679 0.53511635504301 18.998 > 8 21 F 0.47170060072734 0.52829939927266 0.63018234931468 18.998 > 9 22 F 0.05659879854533 0.52829939927266 0.63018234931468 18.998 > 10 23 F 0.47170060072734 0.94340120145467 0.63018234931468 18.998 > 11 24 F 0.85805805298679 0.14194194701321 0.46488364495700 18.998 > 12 25 F 0.80860861367987 0.19139138632013 0.86844968837634 18.998 > 1 26 F 0.95055056069308 0.47527528034654 0.79821697829033 18.998 > 2 27 F 0.52472471965346 0.04944943930692 0.79821697829033 18.998 > 3 28 F 0.80860861367987 0.61721722735975 0.86844968837634 18.998 > 4 29 F 0.19496606593933 0.80503393406067 0.70315098401865 18.998 > 5 30 F 0.61006786812134 0.80503393406067 0.70315098401865 18.998 > 6 31 F 0.19496606593933 0.38993213187866 0.70315098401865 18.998 > 7 32 F 0.38278277264025 0.19139138632013 0.86844968837634 18.998 > 8 33 F 0.13836726739400 0.86163273260600 0.96351568264802 18.998 > 9 34 F 0.72326546521199 0.86163273260600 0.96351568264802 18.998 > 10 35 F 0.13836726739400 0.27673453478801 0.96351568264802 18.998 > 11 36 F 0.52472471965346 0.47527528034654 0.79821697829033 18.998 > 12 *37 Na 0.00000000000000 0.00000000000000 0.09792811974500 22.990 > 13 38 Na 0.66666666666667 0.33333333333333 0.23540521358833 22.990 > 14 39 Na 0.66666666666667 0.33333333333333 0.43126145307834 22.990 > 13 40 Na 0.33333333333333 0.66666666666667 0.56873854692166 22.990 > 14 41 Na 0.33333333333333 0.66666666666667 0.76459478641167 22.990 > 13 42 Na 0.00000000000000 0.00000000000000 0.90207188025500 22.990 > 14 *43 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 15 *44 Al 0.33333333333333 0.66666666666667 0.16666666666667 26.982 > 16 45 Al 0.66666666666667 0.33333333333333 0.33333333333333 26.982 > 15 46 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 16 47 Al 0.33333333333333 0.66666666666667 0.66666666666667 26.982 > 15 48 Al 0.66666666666667 0.33333333333333 0.83333333333333 26.982 > 16 *49 Cs 0.66666666666667 0.33333333333333 0.11397341302820 132.905 > 17 50 Cs 0.00000000000000 0.00000000000000 0.21935992030513 132.905 > 18 *51 Cs 0.33333333333333 0.66666666666667 0.03876427741342 132.905 > 19 52 Cs 0.33333333333333 0.66666666666667 0.29456905591992 132.905 > 20 53 Cs 0.33333333333333 0.66666666666667 0.44730674636153 132.905 > 17 54 Cs 0.66666666666667 0.33333333333333 0.55269325363847 132.905 > 18 55 Cs 0.00000000000000 0.00000000000000 0.37209761074675 132.905 > 19 56 Cs 0.00000000000000 0.00000000000000 0.62790238925325 132.905 > 20 57 Cs 0.00000000000000 0.00000000000000 0.78064007969487 132.905 > 17 58 Cs 0.33333333333333 0.66666666666667 0.88602658697180 132.905 > 18 59 Cs 0.66666666666667 0.33333333333333 0.70543094408008 132.905 > 19 60 Cs 0.66666666666667 0.33333333333333 0.96123572258658 132.905 > 20-------------------------------- super cell --------------------------------Lattice vectors: a 6.139105880605168 0.000000000000000 0.000000000000000 b -3.069552940302584 5.316621649126512 0.000000000000000 c 0.000000000000000 0.000000000000000 29.806092799999995Atomic positions (fractional): *1 F 0.47527528034654 0.52472471965346 0.20178302170967 18.998 > 1 2 F 0.61721722735975 0.80860861367987 0.13155031162366 18.998 > 2 3 F 0.19139138632013 0.38278277264025 0.13155031162366 18.998 > 3 4 F 0.47527528034654 0.95055056069308 0.20178302170967 18.998 > 4 *5 F 0.86163273260600 0.13836726739400 0.03648431735198 18.998 > 5 6 F 0.27673453478801 0.13836726739400 0.03648431735198 18.998 > 6 7 F 0.86163273260600 0.72326546521199 0.03648431735198 18.998 > 7 8 F 0.04944943930692 0.52472471965346 0.20178302170967 18.998 > 8 9 F 0.80503393406067 0.19496606593933 0.29684901598135 18.998 > 9 10 F 0.38993213187866 0.19496606593933 0.29684901598135 18.998 > 10 11 F 0.80503393406067 0.61006786812134 0.29684901598135 18.998 > 11 12 F 0.19139138632013 0.80860861367987 0.13155031162366 18.998 > 12 13 F 0.14194194701321 0.85805805298679 0.53511635504301 18.998 > 1 14 F 0.28388389402641 0.14194194701321 0.46488364495700 18.998 > 2 15 F 0.85805805298679 0.71611610597359 0.46488364495700 18.998 > 3 16 F 0.14194194701321 0.28388389402641 0.53511635504301 18.998 > 4 17 F 0.52829939927266 0.47170060072734 0.36981765068532 18.998 > 5 18 F 0.94340120145467 0.47170060072734 0.36981765068532 18.998 > 6 19 F 0.52829939927266 0.05659879854533 0.36981765068532 18.998 > 7 20 F 0.71611610597359 0.85805805298679 0.53511635504301 18.998 > 8 21 F 0.47170060072734 0.52829939927266 0.63018234931468 18.998 > 9 22 F 0.05659879854533 0.52829939927266 0.63018234931468 18.998 > 10 23 F 0.47170060072734 0.94340120145467 0.63018234931468 18.998 > 11 24 F 0.85805805298679 0.14194194701321 0.46488364495700 18.998 > 12 25 F 0.80860861367987 0.19139138632013 0.86844968837634 18.998 > 1 26 F 0.95055056069308 0.47527528034654 0.79821697829033 18.998 > 2 27 F 0.52472471965346 0.04944943930692 0.79821697829033 18.998 > 3 28 F 0.80860861367987 0.61721722735975 0.86844968837634 18.998 > 4 29 F 0.19496606593933 0.80503393406067 0.70315098401865 18.998 > 5 30 F 0.61006786812134 0.80503393406067 0.70315098401865 18.998 > 6 31 F 0.19496606593933 0.38993213187866 0.70315098401865 18.998 > 7 32 F 0.38278277264025 0.19139138632013 0.86844968837634 18.998 > 8 33 F 0.13836726739400 0.86163273260600 0.96351568264802 18.998 > 9 34 F 0.72326546521199 0.86163273260600 0.96351568264802 18.998 > 10 35 F 0.13836726739400 0.27673453478801 0.96351568264802 18.998 > 11 36 F 0.52472471965346 0.47527528034654 0.79821697829033 18.998 > 12 *37 Na 0.00000000000000 0.00000000000000 0.09792811974500 22.990 > 13 38 Na 0.66666666666667 0.33333333333333 0.23540521358833 22.990 > 14 39 Na 0.66666666666667 0.33333333333333 0.43126145307834 22.990 > 13 40 Na 0.33333333333333 0.66666666666667 0.56873854692166 22.990 > 14 41 Na 0.33333333333333 0.66666666666667 0.76459478641167 22.990 > 13 42 Na 0.00000000000000 0.00000000000000 0.90207188025500 22.990 > 14 *43 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 15 *44 Al 0.33333333333333 0.66666666666667 0.16666666666667 26.982 > 16 45 Al 0.66666666666667 0.33333333333333 0.33333333333333 26.982 > 15 46 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 16 47 Al 0.33333333333333 0.66666666666667 0.66666666666667 26.982 > 15 48 Al 0.66666666666667 0.33333333333333 0.83333333333333 26.982 > 16 *49 Cs 0.66666666666667 0.33333333333333 0.11397341302820 132.905 > 17 50 Cs 0.00000000000000 0.00000000000000 0.21935992030513 132.905 > 18 *51 Cs 0.33333333333333 0.66666666666667 0.03876427741342 132.905 > 19 52 Cs 0.33333333333333 0.66666666666667 0.29456905591992 132.905 > 20 53 Cs 0.33333333333333 0.66666666666667 0.44730674636153 132.905 > 17 54 Cs 0.66666666666667 0.33333333333333 0.55269325363847 132.905 > 18 55 Cs 0.00000000000000 0.00000000000000 0.37209761074675 132.905 > 19 56 Cs 0.00000000000000 0.00000000000000 0.62790238925325 132.905 > 20 57 Cs 0.00000000000000 0.00000000000000 0.78064007969487 132.905 > 17 58 Cs 0.33333333333333 0.66666666666667 0.88602658697180 132.905 > 18 59 Cs 0.66666666666667 0.33333333333333 0.70543094408008 132.905 > 19 60 Cs 0.66666666666667 0.33333333333333 0.96123572258658 132.905 > 20----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.2767776 0.0000000 0.0000000 0.0000000 2.2767776 0.0000000 0.0000000 0.0000000 2.2476690-------------------------- Born effective charges -------------------------- 1 F -1.1240124 0.0533936 -0.1065372 0.0533936 -1.0623588 0.0615093 -0.1159147 0.0669234 -1.0982954 2 F -1.1240124 -0.0533936 0.1065372 -0.0533936 -1.0623588 0.0615093 0.1159147 0.0669234 -1.0982954 3 F -1.0315320 -0.0000000 0.0000000 0.0000000 -1.1548392 -0.1230186 0.0000000 -0.1338468 -1.0982954 4 F -1.0315320 -0.0000000 0.0000000 0.0000000 -1.1548392 -0.1230186 0.0000000 -0.1338468 -1.0982954 5 F -1.1633199 0.0552879 0.1613942 0.0552879 -1.0994790 -0.0931810 0.1376330 -0.0794624 -1.0714350 6 F -1.1633199 -0.0552879 -0.1613942 -0.0552879 -1.0994790 -0.0931810 -0.1376330 -0.0794624 -1.0714350 7 F -1.0675585 -0.0000000 -0.0000000 0.0000000 -1.1952404 0.1863619 0.0000000 0.1589249 -1.0714350 8 F -1.1240124 -0.0533936 0.1065372 -0.0533936 -1.0623588 0.0615093 0.1159147 0.0669234 -1.0982954 9 F -1.1633199 0.0552879 0.1613942 0.0552879 -1.0994790 -0.0931810 0.1376330 -0.0794624 -1.0714350 10 F -1.1633199 -0.0552879 -0.1613942 -0.0552879 -1.0994790 -0.0931810 -0.1376330 -0.0794624 -1.0714350 11 F -1.0675585 -0.0000000 -0.0000000 0.0000000 -1.1952404 0.1863619 0.0000000 0.1589249 -1.0714350 12 F -1.1240124 0.0533936 -0.1065372 0.0533936 -1.0623588 0.0615093 -0.1159147 0.0669234 -1.0982954 13 Na 1.1066103 -0.0000000 0.0000000 0.0000000 1.1066103 -0.0000000 0.0000000 0.0000000 1.1296373 14 Na 1.1066103 -0.0000000 0.0000000 0.0000000 1.1066103 -0.0000000 0.0000000 0.0000000 1.1296373 15 Al 2.8726378 -0.0000000 0.0000000 0.0000000 2.8726378 -0.0000000 0.0000000 0.0000000 2.6202179 16 Al 2.7054136 -0.0000000 0.0000000 0.0000000 2.7054136 -0.0000000 0.0000000 0.0000000 2.8582000 17 Cs 1.3976018 -0.0000000 0.0000000 0.0000000 1.3976018 -0.0000000 0.0000000 0.0000000 1.3084625 18 Cs 1.3976018 -0.0000000 0.0000000 0.0000000 1.3976018 -0.0000000 0.0000000 0.0000000 1.3084625 19 Cs 1.3805175 -0.0000000 0.0000000 0.0000000 1.3805175 -0.0000000 0.0000000 0.0000000 1.3318826 20 Cs 1.3805175 -0.0000000 0.0000000 0.0000000 1.3805175 -0.0000000 0.0000000 0.0000000 1.3318826----------------------------------------------------------------------------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: 180/180Permutation basis: 6882/6882Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 546Number of blocks in projector: 516Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 241Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 168Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 137Use standard eigh solver.Tree of FC basis block matrices:- (546, 526), data: False|-- (137, 130), data: True|-- (168, 164), data: True|-- (241, 232), data: True-----Solver_atoms: 1 -- 60 / 60Time (Solver_compr_matrix_reshape): 0.002Solver_block: 100 / 240 - Time: 0.208Solver_block: 200 / 240 - Time: 0.224Solver_block: 240 / 240 - Time: 0.104Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.548--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 180/180Permutation basis: 6882/6882Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 546Number of blocks in projector: 516Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 241Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 168Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 137Use standard eigh solver.Tree of FC basis block matrices:- (546, 526), data: False|-- (137, 130), data: True|-- (168, 164), data: True|-- (241, 232), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 21:48:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 21:48:26]-------------------------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): [1 1 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 3.069552940302587 1.772207216375502 9.935364266666655 b -3.069552940302581 1.772207216375502 9.935364266666655 c 0.000000000000003 -3.544414432751010 9.935364266666655Atomic positions (fractional): 1 F 0.67705830205621 0.25123246101659 0.67705830205621 18.998 2 F 0.74876753898341 0.32294169794379 0.32294169794379 18.998 3 F 0.32294169794379 0.32294169794379 0.74876753898341 18.998 4 F 0.67705830205621 0.67705830205621 0.25123246101659 18.998 5 F 0.89811704995798 0.31321885213999 0.89811704995798 18.998 6 F 0.31321885213999 0.89811704995798 0.89811704995798 18.998 7 F 0.89811704995798 0.89811704995798 0.31321885213999 18.998 8 F 0.25123246101659 0.67705830205621 0.67705830205621 18.998 9 F 0.10188295004202 0.68678114786001 0.10188295004202 18.998 10 F 0.68678114786001 0.10188295004202 0.10188295004202 18.998 11 F 0.10188295004202 0.10188295004202 0.68678114786001 18.998 12 F 0.32294169794379 0.74876753898341 0.32294169794379 18.998 13 Na 0.09792811974500 0.09792811974500 0.09792811974500 22.990 14 Na 0.90207188025500 0.90207188025500 0.90207188025500 22.990 15 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 16 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 17 Cs 0.78064007969486 0.78064007969486 0.78064007969487 132.905 18 Cs 0.21935992030513 0.21935992030514 0.21935992030513 132.905 19 Cs 0.37209761074675 0.37209761074675 0.37209761074675 132.905 20 Cs 0.62790238925325 0.62790238925325 0.62790238925325 132.905-------------------------------- supercell ---------------------------------Lattice vectors: a 6.139105880605168 0.000000000000000 0.000000000000000 b -3.069552940302584 5.316621649126512 0.000000000000000 c 0.000000000000000 0.000000000000000 29.806092799999995Atomic positions (fractional): 1 F 0.47527528034654 0.52472471965346 0.20178302170967 18.998 > 1 2 F 0.61721722735975 0.80860861367987 0.13155031162366 18.998 > 2 3 F 0.19139138632013 0.38278277264025 0.13155031162366 18.998 > 3 4 F 0.47527528034654 0.95055056069308 0.20178302170967 18.998 > 4 5 F 0.86163273260600 0.13836726739400 0.03648431735198 18.998 > 5 6 F 0.27673453478801 0.13836726739400 0.03648431735198 18.998 > 6 7 F 0.86163273260600 0.72326546521199 0.03648431735198 18.998 > 7 8 F 0.04944943930692 0.52472471965346 0.20178302170967 18.998 > 8 9 F 0.80503393406067 0.19496606593933 0.29684901598135 18.998 > 9 10 F 0.38993213187866 0.19496606593933 0.29684901598135 18.998 > 10 11 F 0.80503393406067 0.61006786812134 0.29684901598135 18.998 > 11 12 F 0.19139138632013 0.80860861367987 0.13155031162366 18.998 > 12 13 F 0.14194194701321 0.85805805298679 0.53511635504301 18.998 > 1 14 F 0.28388389402641 0.14194194701321 0.46488364495700 18.998 > 2 15 F 0.85805805298679 0.71611610597359 0.46488364495700 18.998 > 3 16 F 0.14194194701321 0.28388389402641 0.53511635504301 18.998 > 4 17 F 0.52829939927266 0.47170060072734 0.36981765068532 18.998 > 5 18 F 0.94340120145467 0.47170060072734 0.36981765068532 18.998 > 6 19 F 0.52829939927266 0.05659879854533 0.36981765068532 18.998 > 7 20 F 0.71611610597359 0.85805805298679 0.53511635504301 18.998 > 8 21 F 0.47170060072734 0.52829939927266 0.63018234931468 18.998 > 9 22 F 0.05659879854533 0.52829939927266 0.63018234931468 18.998 > 10 23 F 0.47170060072734 0.94340120145467 0.63018234931468 18.998 > 11 24 F 0.85805805298679 0.14194194701321 0.46488364495700 18.998 > 12 25 F 0.80860861367987 0.19139138632013 0.86844968837634 18.998 > 1 26 F 0.95055056069308 0.47527528034654 0.79821697829033 18.998 > 2 27 F 0.52472471965346 0.04944943930692 0.79821697829033 18.998 > 3 28 F 0.80860861367987 0.61721722735975 0.86844968837634 18.998 > 4 29 F 0.19496606593933 0.80503393406067 0.70315098401865 18.998 > 5 30 F 0.61006786812134 0.80503393406067 0.70315098401865 18.998 > 6 31 F 0.19496606593933 0.38993213187866 0.70315098401865 18.998 > 7 32 F 0.38278277264025 0.19139138632013 0.86844968837634 18.998 > 8 33 F 0.13836726739400 0.86163273260600 0.96351568264802 18.998 > 9 34 F 0.72326546521199 0.86163273260600 0.96351568264802 18.998 > 10 35 F 0.13836726739400 0.27673453478801 0.96351568264802 18.998 > 11 36 F 0.52472471965346 0.47527528034654 0.79821697829033 18.998 > 12 37 Na 0.00000000000000 0.00000000000000 0.09792811974500 22.990 > 37 38 Na 0.66666666666667 0.33333333333333 0.23540521358833 22.990 > 38 39 Na 0.66666666666667 0.33333333333333 0.43126145307834 22.990 > 37 40 Na 0.33333333333333 0.66666666666667 0.56873854692166 22.990 > 38 41 Na 0.33333333333333 0.66666666666667 0.76459478641167 22.990 > 37 42 Na 0.00000000000000 0.00000000000000 0.90207188025500 22.990 > 38 43 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 43 44 Al 0.33333333333333 0.66666666666667 0.16666666666667 26.982 > 44 45 Al 0.66666666666667 0.33333333333333 0.33333333333333 26.982 > 43 46 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 44 47 Al 0.33333333333333 0.66666666666667 0.66666666666667 26.982 > 43 48 Al 0.66666666666667 0.33333333333333 0.83333333333333 26.982 > 44 49 Cs 0.66666666666667 0.33333333333333 0.11397341302820 132.905 > 49 50 Cs 0.00000000000000 0.00000000000000 0.21935992030513 132.905 > 50 51 Cs 0.33333333333333 0.66666666666667 0.03876427741342 132.905 > 51 52 Cs 0.33333333333333 0.66666666666667 0.29456905591992 132.905 > 52 53 Cs 0.33333333333333 0.66666666666667 0.44730674636153 132.905 > 49 54 Cs 0.66666666666667 0.33333333333333 0.55269325363847 132.905 > 50 55 Cs 0.00000000000000 0.00000000000000 0.37209761074675 132.905 > 51 56 Cs 0.00000000000000 0.00000000000000 0.62790238925325 132.905 > 52 57 Cs 0.00000000000000 0.00000000000000 0.78064007969487 132.905 > 49 58 Cs 0.33333333333333 0.66666666666667 0.88602658697180 132.905 > 50 59 Cs 0.66666666666667 0.33333333333333 0.70543094408008 132.905 > 51 60 Cs 0.66666666666667 0.33333333333333 0.96123572258658 132.905 > 52----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.2767776 0.0000000 0.0000000 0.0000000 2.2767776 0.0000000 0.0000000 0.0000000 2.2476690-------------------------- Born effective charges -------------------------- 1 F -1.1240124 0.0533936 -0.1065372 0.0533936 -1.0623588 0.0615093 -0.1159147 0.0669234 -1.0982954 2 F -1.1240124 -0.0533936 0.1065372 -0.0533936 -1.0623588 0.0615093 0.1159147 0.0669234 -1.0982954 3 F -1.0315320 -0.0000000 0.0000000 0.0000000 -1.1548392 -0.1230186 0.0000000 -0.1338468 -1.0982954 4 F -1.0315320 -0.0000000 0.0000000 0.0000000 -1.1548392 -0.1230186 0.0000000 -0.1338468 -1.0982954 5 F -1.1633199 0.0552879 0.1613942 0.0552879 -1.0994790 -0.0931810 0.1376330 -0.0794624 -1.0714350 6 F -1.1633199 -0.0552879 -0.1613942 -0.0552879 -1.0994790 -0.0931810 -0.1376330 -0.0794624 -1.0714350 7 F -1.0675585 -0.0000000 -0.0000000 0.0000000 -1.1952404 0.1863619 0.0000000 0.1589249 -1.0714350 8 F -1.1240124 -0.0533936 0.1065372 -0.0533936 -1.0623588 0.0615093 0.1159147 0.0669234 -1.0982954 9 F -1.1633199 0.0552879 0.1613942 0.0552879 -1.0994790 -0.0931810 0.1376330 -0.0794624 -1.0714350 10 F -1.1633199 -0.0552879 -0.1613942 -0.0552879 -1.0994790 -0.0931810 -0.1376330 -0.0794624 -1.0714350 11 F -1.0675585 -0.0000000 -0.0000000 0.0000000 -1.1952404 0.1863619 0.0000000 0.1589249 -1.0714350 12 F -1.1240124 0.0533936 -0.1065372 0.0533936 -1.0623588 0.0615093 -0.1159147 0.0669234 -1.0982954 13 Na 1.1066103 -0.0000000 0.0000000 0.0000000 1.1066103 -0.0000000 0.0000000 0.0000000 1.1296373 14 Na 1.1066103 -0.0000000 0.0000000 0.0000000 1.1066103 -0.0000000 0.0000000 0.0000000 1.1296373 15 Al 2.8726378 -0.0000000 0.0000000 0.0000000 2.8726378 -0.0000000 0.0000000 0.0000000 2.6202179 16 Al 2.7054136 -0.0000000 0.0000000 0.0000000 2.7054136 -0.0000000 0.0000000 0.0000000 2.8582000 17 Cs 1.3976018 -0.0000000 0.0000000 0.0000000 1.3976018 -0.0000000 0.0000000 0.0000000 1.3084625 18 Cs 1.3976018 -0.0000000 0.0000000 0.0000000 1.3976018 -0.0000000 0.0000000 0.0000000 1.3084625 19 Cs 1.3805175 -0.0000000 0.0000000 0.0000000 1.3805175 -0.0000000 0.0000000 0.0000000 1.3318826 20 Cs 1.3805175 -0.0000000 0.0000000 0.0000000 1.3805175 -0.0000000 0.0000000 0.0000000 1.3318826----------------------------------------------------------------------------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[ 5, 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[ 43, 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[ 44, 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[ 49, 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[ 51, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000000 (zxz) 0.00000000 (zxz) 0.00000000 (zzx)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 21:48:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 21:48:32]-------------------------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): [1 1 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 3.069552940302587 1.772207216375502 9.935364266666655 b -3.069552940302581 1.772207216375502 9.935364266666655 c 0.000000000000003 -3.544414432751010 9.935364266666655Atomic positions (fractional): 1 F 0.67705830205621 0.25123246101659 0.67705830205621 18.998 2 F 0.74876753898341 0.32294169794379 0.32294169794379 18.998 3 F 0.32294169794379 0.32294169794379 0.74876753898341 18.998 4 F 0.67705830205621 0.67705830205621 0.25123246101659 18.998 5 F 0.89811704995798 0.31321885213999 0.89811704995798 18.998 6 F 0.31321885213999 0.89811704995798 0.89811704995798 18.998 7 F 0.89811704995798 0.89811704995798 0.31321885213999 18.998 8 F 0.25123246101659 0.67705830205621 0.67705830205621 18.998 9 F 0.10188295004202 0.68678114786001 0.10188295004202 18.998 10 F 0.68678114786001 0.10188295004202 0.10188295004202 18.998 11 F 0.10188295004202 0.10188295004202 0.68678114786001 18.998 12 F 0.32294169794379 0.74876753898341 0.32294169794379 18.998 13 Na 0.09792811974500 0.09792811974500 0.09792811974500 22.990 14 Na 0.90207188025500 0.90207188025500 0.90207188025500 22.990 15 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 16 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 17 Cs 0.78064007969486 0.78064007969486 0.78064007969487 132.905 18 Cs 0.21935992030513 0.21935992030514 0.21935992030513 132.905 19 Cs 0.37209761074675 0.37209761074675 0.37209761074675 132.905 20 Cs 0.62790238925325 0.62790238925325 0.62790238925325 132.905-------------------------------- supercell ---------------------------------Lattice vectors: a 6.139105880605168 0.000000000000000 0.000000000000000 b -3.069552940302584 5.316621649126512 0.000000000000000 c 0.000000000000000 0.000000000000000 29.806092799999995Atomic positions (fractional): 1 F 0.47527528034654 0.52472471965346 0.20178302170967 18.998 > 1 2 F 0.61721722735975 0.80860861367987 0.13155031162366 18.998 > 2 3 F 0.19139138632013 0.38278277264025 0.13155031162366 18.998 > 3 4 F 0.47527528034654 0.95055056069308 0.20178302170967 18.998 > 4 5 F 0.86163273260600 0.13836726739400 0.03648431735198 18.998 > 5 6 F 0.27673453478801 0.13836726739400 0.03648431735198 18.998 > 6 7 F 0.86163273260600 0.72326546521199 0.03648431735198 18.998 > 7 8 F 0.04944943930692 0.52472471965346 0.20178302170967 18.998 > 8 9 F 0.80503393406067 0.19496606593933 0.29684901598135 18.998 > 9 10 F 0.38993213187866 0.19496606593933 0.29684901598135 18.998 > 10 11 F 0.80503393406067 0.61006786812134 0.29684901598135 18.998 > 11 12 F 0.19139138632013 0.80860861367987 0.13155031162366 18.998 > 12 13 F 0.14194194701321 0.85805805298679 0.53511635504301 18.998 > 1 14 F 0.28388389402641 0.14194194701321 0.46488364495700 18.998 > 2 15 F 0.85805805298679 0.71611610597359 0.46488364495700 18.998 > 3 16 F 0.14194194701321 0.28388389402641 0.53511635504301 18.998 > 4 17 F 0.52829939927266 0.47170060072734 0.36981765068532 18.998 > 5 18 F 0.94340120145467 0.47170060072734 0.36981765068532 18.998 > 6 19 F 0.52829939927266 0.05659879854533 0.36981765068532 18.998 > 7 20 F 0.71611610597359 0.85805805298679 0.53511635504301 18.998 > 8 21 F 0.47170060072734 0.52829939927266 0.63018234931468 18.998 > 9 22 F 0.05659879854533 0.52829939927266 0.63018234931468 18.998 > 10 23 F 0.47170060072734 0.94340120145467 0.63018234931468 18.998 > 11 24 F 0.85805805298679 0.14194194701321 0.46488364495700 18.998 > 12 25 F 0.80860861367987 0.19139138632013 0.86844968837634 18.998 > 1 26 F 0.95055056069308 0.47527528034654 0.79821697829033 18.998 > 2 27 F 0.52472471965346 0.04944943930692 0.79821697829033 18.998 > 3 28 F 0.80860861367987 0.61721722735975 0.86844968837634 18.998 > 4 29 F 0.19496606593933 0.80503393406067 0.70315098401865 18.998 > 5 30 F 0.61006786812134 0.80503393406067 0.70315098401865 18.998 > 6 31 F 0.19496606593933 0.38993213187866 0.70315098401865 18.998 > 7 32 F 0.38278277264025 0.19139138632013 0.86844968837634 18.998 > 8 33 F 0.13836726739400 0.86163273260600 0.96351568264802 18.998 > 9 34 F 0.72326546521199 0.86163273260600 0.96351568264802 18.998 > 10 35 F 0.13836726739400 0.27673453478801 0.96351568264802 18.998 > 11 36 F 0.52472471965346 0.47527528034654 0.79821697829033 18.998 > 12 37 Na 0.00000000000000 0.00000000000000 0.09792811974500 22.990 > 37 38 Na 0.66666666666667 0.33333333333333 0.23540521358833 22.990 > 38 39 Na 0.66666666666667 0.33333333333333 0.43126145307834 22.990 > 37 40 Na 0.33333333333333 0.66666666666667 0.56873854692166 22.990 > 38 41 Na 0.33333333333333 0.66666666666667 0.76459478641167 22.990 > 37 42 Na 0.00000000000000 0.00000000000000 0.90207188025500 22.990 > 38 43 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 43 44 Al 0.33333333333333 0.66666666666667 0.16666666666667 26.982 > 44 45 Al 0.66666666666667 0.33333333333333 0.33333333333333 26.982 > 43 46 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 44 47 Al 0.33333333333333 0.66666666666667 0.66666666666667 26.982 > 43 48 Al 0.66666666666667 0.33333333333333 0.83333333333333 26.982 > 44 49 Cs 0.66666666666667 0.33333333333333 0.11397341302820 132.905 > 49 50 Cs 0.00000000000000 0.00000000000000 0.21935992030513 132.905 > 50 51 Cs 0.33333333333333 0.66666666666667 0.03876427741342 132.905 > 51 52 Cs 0.33333333333333 0.66666666666667 0.29456905591992 132.905 > 52 53 Cs 0.33333333333333 0.66666666666667 0.44730674636153 132.905 > 49 54 Cs 0.66666666666667 0.33333333333333 0.55269325363847 132.905 > 50 55 Cs 0.00000000000000 0.00000000000000 0.37209761074675 132.905 > 51 56 Cs 0.00000000000000 0.00000000000000 0.62790238925325 132.905 > 52 57 Cs 0.00000000000000 0.00000000000000 0.78064007969487 132.905 > 49 58 Cs 0.33333333333333 0.66666666666667 0.88602658697180 132.905 > 50 59 Cs 0.66666666666667 0.33333333333333 0.70543094408008 132.905 > 51 60 Cs 0.66666666666667 0.33333333333333 0.96123572258658 132.905 > 52----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 2.2767776 0.0000000 0.0000000 0.0000000 2.2767776 0.0000000 0.0000000 0.0000000 2.2476690-------------------------- Born effective charges -------------------------- 1 F -1.1240124 0.0533936 -0.1065372 0.0533936 -1.0623588 0.0615093 -0.1159147 0.0669234 -1.0982954 2 F -1.1240124 -0.0533936 0.1065372 -0.0533936 -1.0623588 0.0615093 0.1159147 0.0669234 -1.0982954 3 F -1.0315320 -0.0000000 0.0000000 0.0000000 -1.1548392 -0.1230186 0.0000000 -0.1338468 -1.0982954 4 F -1.0315320 -0.0000000 0.0000000 0.0000000 -1.1548392 -0.1230186 0.0000000 -0.1338468 -1.0982954 5 F -1.1633199 0.0552879 0.1613942 0.0552879 -1.0994790 -0.0931810 0.1376330 -0.0794624 -1.0714350 6 F -1.1633199 -0.0552879 -0.1613942 -0.0552879 -1.0994790 -0.0931810 -0.1376330 -0.0794624 -1.0714350 7 F -1.0675585 -0.0000000 -0.0000000 0.0000000 -1.1952404 0.1863619 0.0000000 0.1589249 -1.0714350 8 F -1.1240124 -0.0533936 0.1065372 -0.0533936 -1.0623588 0.0615093 0.1159147 0.0669234 -1.0982954 9 F -1.1633199 0.0552879 0.1613942 0.0552879 -1.0994790 -0.0931810 0.1376330 -0.0794624 -1.0714350 10 F -1.1633199 -0.0552879 -0.1613942 -0.0552879 -1.0994790 -0.0931810 -0.1376330 -0.0794624 -1.0714350 11 F -1.0675585 -0.0000000 -0.0000000 0.0000000 -1.1952404 0.1863619 0.0000000 0.1589249 -1.0714350 12 F -1.1240124 0.0533936 -0.1065372 0.0533936 -1.0623588 0.0615093 -0.1159147 0.0669234 -1.0982954 13 Na 1.1066103 -0.0000000 0.0000000 0.0000000 1.1066103 -0.0000000 0.0000000 0.0000000 1.1296373 14 Na 1.1066103 -0.0000000 0.0000000 0.0000000 1.1066103 -0.0000000 0.0000000 0.0000000 1.1296373 15 Al 2.8726378 -0.0000000 0.0000000 0.0000000 2.8726378 -0.0000000 0.0000000 0.0000000 2.6202179 16 Al 2.7054136 -0.0000000 0.0000000 0.0000000 2.7054136 -0.0000000 0.0000000 0.0000000 2.8582000 17 Cs 1.3976018 -0.0000000 0.0000000 0.0000000 1.3976018 -0.0000000 0.0000000 0.0000000 1.3084625 18 Cs 1.3976018 -0.0000000 0.0000000 0.0000000 1.3976018 -0.0000000 0.0000000 0.0000000 1.3084625 19 Cs 1.3805175 -0.0000000 0.0000000 0.0000000 1.3805175 -0.0000000 0.0000000 0.0000000 1.3318826 20 Cs 1.3805175 -0.0000000 0.0000000 0.0000000 1.3805175 -0.0000000 0.0000000 0.0000000 1.3318826----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (zxz) 0.00000000 (zxz) 0.00000000 (zzx)Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 10 10 10 ]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: 0.60, Number of G-points: 325, Lambda: 0.09Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/116) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116Calculating 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 1.562 ( 0.000 0.000 0.000) 0.000 1.562 ( 0.000 0.000 0.000) 0.000 1.656 ( 0.000 0.000 0.000) 0.000 1.658 ( 0.000 0.000 0.000) 0.000 1.658 ( 0.000 0.000 0.000) 0.000 1.836 ( 0.000 0.000 0.000) 0.000 2.227 ( 0.000 0.000 0.000) 0.000 2.348 ( 0.000 0.000 0.000) 0.000 2.348 ( 0.000 0.000 0.000) 0.000 2.583 ( 0.000 0.000 0.000) 0.000 2.641 ( 0.000 0.000 0.000) 0.000 2.641 ( 0.000 0.000 0.000) 0.000 2.895 ( 0.000 0.000 0.000) 0.000 2.895 ( 0.000 0.000 0.000) 0.000 2.907 ( 0.000 0.000 0.000) 0.000 3.319 ( 0.000 0.000 0.000) 0.000 3.481 ( 0.000 0.000 0.000) 0.000 3.481 ( 0.000 0.000 0.000) 0.000 3.935 ( 0.000 0.000 0.000) 0.000 3.935 ( 0.000 0.000 0.000) 0.000 4.303 ( 0.000 0.000 0.000) 0.000 5.678 ( 0.000 0.000 0.000) 0.000 5.678 ( 0.000 0.000 0.000) 0.000 5.795 ( 0.000 0.000 0.000) 0.000 5.920 ( 0.000 0.000 0.000) 0.000 5.920 ( 0.000 0.000 0.000) 0.000 6.024 ( 0.000 0.000 0.000) 0.000 6.024 ( 0.000 0.000 0.000) 0.000 6.119 ( 0.000 0.000 0.000) 0.000 6.745 ( 0.000 0.000 0.000) 0.000 7.084 ( 0.000 0.000 0.000) 0.000 7.084 ( 0.000 0.000 0.000) 0.000 7.123 ( 0.000 0.000 0.000) 0.000 8.709 ( 0.000 0.000 0.000) 0.000 8.709 ( 0.000 0.000 0.000) 0.000 8.795 ( 0.000 0.000 0.000) 0.000 9.008 ( 0.000 0.000 0.000) 0.000 9.008 ( 0.000 0.000 0.000) 0.000 10.105 ( 0.000 0.000 0.000) 0.000 10.576 ( 0.000 0.000 0.000) 0.000 10.576 ( 0.000 0.000 0.000) 0.000 10.832 ( 0.000 0.000 0.000) 0.000 10.832 ( 0.000 0.000 0.000) 0.000 10.969 ( 0.000 0.000 0.000) 0.000 10.969 ( 0.000 0.000 0.000) 0.000 11.060 ( 0.000 0.000 0.000) 0.000 11.165 ( 0.000 0.000 0.000) 0.000 11.165 ( 0.000 0.000 0.000) 0.000 11.833 ( 0.000 0.000 0.000) 0.000 15.185 ( 0.000 0.000 0.000) 0.000 15.494 ( 0.000 0.000 0.000) 0.000 16.181 ( 0.000 0.000 0.000) 0.000 16.181 ( 0.000 0.000 0.000) 0.000 16.456 ( 0.000 0.000 0.000) 0.000 16.456 ( 0.000 0.000 0.000) 0.000 16.680 ( 0.000 0.000 0.000) 0.000 18.222 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/116) =======================q-point: ( 0.10 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.395 ( 16.348 9.439 9.803) 21.270 0.499 ( 21.516 12.422 7.063) 25.829 0.577 ( 26.473 15.284 -2.691) 30.687 1.551 ( 1.377 0.795 -8.219) 8.371 1.600 ( 2.843 1.642 2.458) 4.101 1.648 ( -0.702 -0.405 0.348) 0.882 1.726 ( 5.331 3.078 -2.728) 6.733 1.731 ( 4.510 2.604 5.791) 7.788 1.844 ( 0.219 0.127 1.717) 1.736 2.217 ( -0.537 -0.310 -1.153) 1.309 2.343 ( -0.436 -0.252 -0.140) 0.523 2.352 ( 0.327 0.189 0.054) 0.381 2.573 ( -1.754 -1.013 3.322) 3.890 2.633 ( -0.596 -0.344 -0.385) 0.788 2.663 ( 1.693 0.977 0.623) 2.052 2.868 ( -1.356 -0.783 -0.265) 1.588 2.934 ( 1.402 0.810 -0.003) 1.619 3.147 ( 2.687 1.551 0.526) 3.147 3.316 ( -0.199 -0.115 -0.053) 0.236 3.467 ( -1.223 -0.706 0.004) 1.412 3.933 ( -0.406 -0.234 1.551) 1.620 3.936 ( -0.188 -0.108 0.748) 0.779 4.102 ( -1.813 -1.047 -12.085) 12.265 4.237 ( -6.834 -3.946 4.520) 9.094 5.674 ( -0.400 -0.231 0.609) 0.764 5.758 ( -0.096 -0.055 -0.700) 0.709 5.804 ( 0.777 0.449 0.048) 0.899 5.887 ( -1.816 -1.049 -4.156) 4.655 5.931 ( 1.097 0.633 -0.782) 1.489 6.051 ( 1.355 0.782 3.170) 3.535 6.128 ( 0.870 0.502 -0.016) 1.005 6.629 ( 1.080 0.623 -34.283) 34.306 6.751 ( -0.130 -0.075 3.027) 3.030 7.081 ( -0.207 -0.120 -0.492) 0.547 7.098 ( 0.776 0.448 -2.220) 2.394 7.233 ( -7.105 -4.102 41.760) 42.559 8.697 ( -1.075 -0.621 0.089) 1.245 8.737 ( 1.983 1.145 1.091) 2.536 8.758 ( -2.877 -1.661 -0.630) 3.381 9.001 ( -0.717 -0.414 0.143) 0.841 9.030 ( 2.058 1.188 -0.658) 2.466 10.036 ( -5.302 -3.061 -0.756) 6.169 10.578 ( 0.181 0.104 -0.003) 0.209 10.819 ( 4.562 2.634 -3.976) 6.600 10.831 ( -0.011 -0.006 -0.117) 0.118 10.861 ( 2.374 1.370 3.030) 4.086 10.968 ( -0.040 -0.023 -0.002) 0.046 11.079 ( 1.047 0.605 1.625) 2.025 11.154 ( 3.119 1.801 -9.040) 9.731 11.168 ( 0.262 0.151 -0.088) 0.315 11.179 ( 0.251 0.145 5.182) 5.190 11.861 ( 1.706 0.985 2.442) 3.137 15.190 ( 0.499 0.288 -0.331) 0.665 15.498 ( 0.392 0.226 -0.012) 0.452 16.192 ( 0.861 0.497 1.213) 1.568 16.459 ( 0.426 0.246 -1.167) 1.266 16.486 ( 5.047 2.914 -0.227) 5.832 16.653 ( 0.439 0.254 -10.334) 10.347 18.052 ( -1.655 -0.955 -18.586) 18.684 18.195 ( -10.743 -6.202 25.269) 28.149======================= Grid point 2 (3/116) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.768 ( 14.727 8.503 9.542) 19.500 0.974 ( 19.849 11.460 6.670) 23.870 1.120 ( 24.006 13.860 -2.818) 27.862 1.584 ( 4.096 2.365 -7.853) 9.167 1.631 ( -0.858 -0.495 0.313) 1.039 1.679 ( 3.038 1.754 2.367) 4.232 1.848 ( 4.883 2.819 -0.312) 5.647 1.860 ( 5.374 3.103 3.977) 7.370 1.882 ( 4.366 2.521 -2.094) 5.459 2.212 ( 0.979 0.565 -1.190) 1.642 2.326 ( -1.205 -0.696 -0.092) 1.395 2.359 ( 0.252 0.145 0.044) 0.294 2.545 ( -1.344 -0.776 0.940) 1.814 2.613 ( -1.037 -0.598 -0.761) 1.418 2.714 ( 2.795 1.614 0.444) 3.258 2.840 ( -1.071 -0.619 -0.631) 1.389 2.962 ( 1.113 0.642 0.049) 1.286 3.227 ( 4.470 2.581 -0.536) 5.190 3.308 ( -0.605 -0.349 -0.156) 0.716 3.432 ( -1.918 -1.107 -0.026) 2.214 3.900 ( -5.789 -3.342 2.555) 7.156 3.929 ( -0.573 -0.331 2.752) 2.830 3.980 ( -4.999 -2.886 -11.529) 12.893 4.094 ( -6.076 -3.508 6.246) 9.393 5.665 ( -0.642 -0.370 1.039) 1.276 5.752 ( -0.176 -0.102 -0.558) 0.594 5.819 ( -0.787 -0.455 -2.231) 2.409 5.836 ( -0.011 -0.006 -2.474) 2.474 5.958 ( 1.650 0.952 -1.180) 2.240 6.088 ( 1.022 0.590 2.833) 3.069 6.156 ( 1.620 0.935 0.217) 1.883 6.493 ( -6.097 -3.520 -14.262) 15.905 6.755 ( -0.660 -0.381 4.147) 4.216 7.072 ( -0.333 -0.192 -0.798) 0.886 7.109 ( 0.471 0.272 0.120) 0.557 7.223 ( -2.602 -1.502 16.040) 16.319 8.662 ( -4.699 -2.713 -0.518) 5.451 8.666 ( -1.755 -1.014 0.110) 2.030 8.812 ( 3.758 2.170 1.461) 4.579 8.980 ( -1.187 -0.685 0.266) 1.396 9.088 ( 3.330 1.922 -1.311) 4.062 9.909 ( -5.561 -3.210 -0.923) 6.487 10.584 ( 0.451 0.261 -0.024) 0.522 10.829 ( -0.187 -0.108 -0.184) 0.284 10.891 ( 3.465 2.001 -3.992) 5.652 10.950 ( 3.696 2.134 4.571) 6.254 10.969 ( 0.158 0.091 0.023) 0.183 11.086 ( -0.210 -0.121 0.078) 0.255 11.174 ( 0.214 0.124 -0.159) 0.294 11.185 ( 0.449 0.259 -0.114) 0.531 11.262 ( 6.523 3.766 -0.495) 7.548 11.925 ( 3.505 2.023 1.030) 4.176 15.204 ( 0.887 0.512 -0.582) 1.179 15.512 ( 0.801 0.463 -0.037) 0.926 16.224 ( 1.462 0.844 2.215) 2.785 16.465 ( 0.635 0.366 -2.140) 2.262 16.609 ( 0.452 0.261 -5.059) 5.086 16.638 ( 6.386 3.687 -1.849) 7.602 17.909 ( -7.437 -4.294 -6.821) 10.967 18.004 ( -11.832 -6.831 11.680) 17.975======================= Grid point 3 (4/116) =======================q-point: ( 0.30 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.088 ( 11.701 6.755 8.574) 16.002 1.398 ( 17.072 9.856 5.859) 20.565 1.528 ( 7.397 4.271 -1.183) 8.623 1.667 ( 5.340 3.083 -5.679) 8.383 1.670 ( 10.392 6.000 -0.865) 12.030 1.734 ( 2.225 1.285 -0.216) 2.578 1.930 ( 2.670 1.542 0.673) 3.156 1.974 ( 3.925 2.266 1.610) 4.810 1.991 ( 5.399 3.117 -2.087) 6.575 2.270 ( 4.316 2.492 -0.211) 4.988 2.286 ( -2.541 -1.467 0.114) 2.936 2.364 ( 0.306 0.177 0.096) 0.366 2.526 ( -0.431 -0.249 -0.332) 0.598 2.586 ( -1.129 -0.652 -0.997) 1.642 2.787 ( 3.939 2.274 0.185) 4.553 2.818 ( -0.730 -0.421 -0.964) 1.281 2.982 ( 0.695 0.401 0.121) 0.811 3.286 ( -1.389 -0.802 -0.362) 1.644 3.321 ( 4.204 2.427 -4.194) 6.415 3.393 ( -1.477 -0.853 0.036) 1.706 3.688 ( -12.485 -7.208 5.978) 15.607 3.815 ( -7.515 -4.339 -7.671) 11.582 3.928 ( -0.439 -0.254 3.075) 3.116 4.057 ( -0.026 -0.015 4.718) 4.718 5.655 ( -0.637 -0.368 1.217) 1.422 5.748 ( 0.056 0.032 -0.937) 0.939 5.765 ( -1.890 -1.091 -4.072) 4.620 5.860 ( 1.368 0.790 -0.094) 1.582 5.990 ( 1.510 0.872 -1.089) 2.056 6.113 ( 0.624 0.360 1.867) 2.001 6.194 ( 1.639 0.946 0.384) 1.931 6.282 ( -9.526 -5.500 -6.633) 12.844 6.751 ( -0.773 -0.446 3.098) 3.224 7.062 ( -0.330 -0.190 -0.800) 0.886 7.117 ( 0.194 0.112 0.354) 0.419 7.228 ( -0.576 -0.332 7.213) 7.244 8.566 ( -3.672 -2.120 -0.428) 4.262 8.626 ( -1.770 -1.022 0.074) 2.045 8.902 ( 3.789 2.188 1.795) 4.729 8.954 ( -1.224 -0.707 0.302) 1.445 9.156 ( 3.149 1.818 -1.660) 3.998 9.801 ( -4.043 -2.334 -0.702) 4.721 10.597 ( 0.676 0.390 -0.049) 0.782 10.822 ( -0.411 -0.237 -0.160) 0.501 10.950 ( 3.162 1.825 -4.138) 5.519 10.976 ( 0.405 0.234 0.041) 0.470 11.025 ( 1.207 0.697 6.172) 6.327 11.087 ( 0.670 0.387 -0.711) 1.050 11.175 ( -0.034 -0.019 -0.179) 0.184 11.187 ( 0.088 0.051 -1.901) 1.904 11.410 ( 6.310 3.643 1.613) 7.462 12.010 ( 3.809 2.199 0.475) 4.423 15.222 ( 0.935 0.540 -0.699) 1.287 15.531 ( 0.955 0.552 -0.042) 1.104 16.267 ( 1.586 0.916 2.692) 3.256 16.470 ( 0.528 0.305 -2.615) 2.685 16.559 ( -1.760 -1.016 -5.828) 6.172 16.820 ( 8.830 5.098 1.187) 10.265 17.708 ( -10.003 -5.775 5.010) 12.590 17.780 ( -10.177 -5.876 -1.549) 11.853======================= Grid point 4 (5/116) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.323 ( 7.556 4.363 6.303) 10.764 1.531 ( -1.932 -1.116 -1.258) 2.561 1.744 ( 12.563 7.253 4.601) 15.219 1.758 ( 1.093 0.631 0.728) 1.457 1.762 ( 4.655 2.688 -3.132) 6.221 1.927 ( 2.830 1.634 -0.454) 3.299 1.996 ( 7.652 4.418 -3.680) 9.572 2.030 ( 0.846 0.489 -0.171) 0.992 2.107 ( 5.211 3.008 1.124) 6.121 2.212 ( -4.299 -2.482 -0.075) 4.965 2.349 ( 1.829 1.056 0.143) 2.117 2.399 ( 3.414 1.971 0.349) 3.958 2.525 ( 0.467 0.269 -1.097) 1.222 2.562 ( -0.696 -0.402 -0.754) 1.103 2.802 ( -0.388 -0.224 -0.832) 0.945 2.892 ( 5.844 3.374 0.367) 6.758 2.993 ( 0.294 0.169 0.112) 0.357 3.251 ( -1.417 -0.818 -0.366) 1.677 3.312 ( -4.213 -2.432 -11.567) 12.549 3.371 ( -0.559 -0.323 0.092) 0.652 3.472 ( -9.506 -5.489 14.591) 18.259 3.657 ( -2.927 -1.690 -6.611) 7.425 3.930 ( -0.186 -0.107 2.074) 2.085 4.088 ( 1.130 0.653 3.454) 3.692 5.647 ( -0.389 -0.225 1.005) 1.100 5.719 ( -1.159 -0.669 -2.655) 2.973 5.751 ( 0.544 0.314 -1.196) 1.351 5.885 ( 0.872 0.503 -0.018) 1.007 6.012 ( 0.550 0.318 -0.297) 0.701 6.069 ( -7.560 -4.365 -2.813) 9.172 6.128 ( 0.315 0.182 0.942) 1.009 6.225 ( 0.985 0.569 0.248) 1.165 6.744 ( -0.492 -0.284 1.514) 1.617 7.054 ( -0.202 -0.117 -0.496) 0.548 7.120 ( 0.057 0.033 0.113) 0.131 7.240 ( 0.021 0.012 2.985) 2.986 8.506 ( -1.755 -1.013 -0.170) 2.034 8.594 ( -1.099 -0.634 0.031) 1.269 8.932 ( -0.778 -0.449 0.201) 0.920 8.979 ( 2.481 1.432 1.384) 3.182 9.206 ( 1.791 1.034 -1.318) 2.453 9.732 ( -2.144 -1.238 -0.341) 2.499 10.611 ( 0.562 0.324 -0.047) 0.650 10.812 ( -0.392 -0.226 -0.078) 0.459 10.985 ( 0.379 0.219 0.030) 0.439 10.995 ( 2.013 1.162 -3.768) 4.427 11.048 ( -0.310 -0.179 5.214) 5.227 11.109 ( 0.979 0.565 0.160) 1.141 11.172 ( -0.156 -0.090 -0.122) 0.217 11.179 ( -0.083 -0.048 -2.276) 2.278 11.527 ( 3.711 2.143 1.529) 4.550 12.081 ( 2.388 1.378 0.124) 2.760 15.237 ( 0.579 0.334 -0.523) 0.849 15.549 ( 0.658 0.380 -0.022) 0.760 16.305 ( 1.086 0.627 2.094) 2.440 16.471 ( 0.230 0.133 -2.046) 2.063 16.506 ( -1.420 -0.820 -3.360) 3.739 17.019 ( 8.769 5.063 1.658) 10.261 17.522 ( -9.929 -5.733 8.217) 14.106 17.575 ( -5.758 -3.324 -6.997) 9.652======================= Grid point 5 (6/116) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.459 ( 0.000 0.000 0.000) 0.000 1.464 ( -0.000 -0.000 -0.000) 0.000 1.773 ( 0.000 0.000 -0.000) 0.000 1.806 ( 0.000 0.000 0.000) 0.000 1.934 ( 0.000 0.000 0.000) 0.000 1.959 ( 0.000 0.000 0.000) 0.000 1.999 ( -0.000 -0.000 0.000) 0.000 2.080 ( 0.000 0.000 0.000) 0.000 2.140 ( 0.000 0.000 0.000) 0.000 2.179 ( 0.000 0.000 0.000) 0.000 2.372 ( 0.000 0.000 -0.000) 0.000 2.451 ( 0.000 0.000 -0.000) 0.000 2.530 ( 0.000 0.000 0.000) 0.000 2.553 ( 0.000 0.000 0.000) 0.000 2.797 ( 0.000 0.000 0.000) 0.000 2.996 ( 0.000 0.000 -0.000) 0.000 3.008 ( 0.000 0.000 0.000) 0.000 3.174 ( 0.000 0.000 -0.000) 0.000 3.233 ( 0.000 0.000 0.000) 0.000 3.366 ( 0.000 0.000 -0.000) 0.000 3.382 ( 0.000 0.000 0.000) 0.000 3.631 ( 0.000 0.000 -0.000) 0.000 3.932 ( 0.000 0.000 0.000) 0.000 4.110 ( 0.000 0.000 0.000) 0.000 5.645 ( 0.000 0.000 -0.000) 0.000 5.701 ( 0.000 0.000 0.000) 0.000 5.758 ( 0.000 0.000 0.000) 0.000 5.895 ( 0.000 0.000 -0.000) 0.000 5.965 ( 0.000 0.000 0.000) 0.000 6.024 ( 0.000 0.000 0.000) 0.000 6.133 ( 0.000 0.000 -0.000) 0.000 6.236 ( 0.000 0.000 -0.000) 0.000 6.741 ( 0.000 0.000 0.000) 0.000 7.051 ( 0.000 0.000 0.000) 0.000 7.121 ( 0.000 0.000 -0.000) 0.000 7.246 ( 0.000 0.000 -0.000) 0.000 8.487 ( 0.000 0.000 0.000) 0.000 8.582 ( 0.000 0.000 -0.000) 0.000 8.924 ( 0.000 0.000 0.000) 0.000 9.009 ( 0.000 0.000 0.000) 0.000 9.223 ( 0.000 0.000 0.000) 0.000 9.708 ( 0.000 0.000 0.000) 0.000 10.617 ( 0.000 0.000 0.000) 0.000 10.807 ( 0.000 0.000 -0.000) 0.000 10.990 ( 0.000 0.000 0.000) 0.000 11.009 ( 0.000 0.000 -0.000) 0.000 11.055 ( 0.000 0.000 0.000) 0.000 11.120 ( 0.000 0.000 0.000) 0.000 11.170 ( 0.000 0.000 -0.000) 0.000 11.173 ( 0.000 0.000 0.000) 0.000 11.571 ( 0.000 0.000 -0.000) 0.000 12.108 ( 0.000 0.000 0.000) 0.000 15.243 ( 0.000 0.000 0.000) 0.000 15.557 ( 0.000 0.000 0.000) 0.000 16.322 ( 0.000 0.000 0.000) 0.000 16.469 ( 0.000 0.000 -0.000) 0.000 16.484 ( 0.000 0.000 -0.000) 0.000 17.160 ( -0.000 -0.000 -0.000) 0.000 17.378 ( 0.000 0.000 0.000) 0.000 17.506 ( 0.000 0.000 0.000) 0.000======================= Grid point 12 (7/116) =======================q-point: ( 0.10 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.388 ( -0.000 16.902 9.181) 19.235 0.461 ( 0.000 24.180 -0.209) 24.181 0.658 ( -0.000 29.709 12.604) 32.272 1.535 ( 0.000 2.906 -8.857) 9.321 1.592 ( 0.000 4.046 -2.334) 4.671 1.650 ( -0.000 -0.810 0.691) 1.065 1.698 ( -0.000 3.411 1.531) 3.739 1.765 ( -0.000 5.317 3.809) 6.540 1.856 ( -0.000 0.155 3.562) 3.565 2.211 ( 0.000 -0.742 -2.279) 2.397 2.344 ( -0.000 -0.465 0.056) 0.468 2.351 ( 0.000 0.353 -0.150) 0.384 2.587 ( -0.000 -3.350 5.095) 6.098 2.635 ( 0.000 -0.543 -0.018) 0.544 2.663 ( -0.000 1.253 0.875) 1.529 2.869 ( 0.000 -1.453 -0.039) 1.454 2.934 ( -0.000 1.604 0.073) 1.606 3.142 ( 0.000 2.345 -0.230) 2.356 3.316 ( 0.000 -0.212 -0.074) 0.225 3.468 ( -0.000 -1.357 0.190) 1.370 3.933 ( 0.000 0.103 -1.395) 1.398 3.934 ( -0.000 -0.728 1.766) 1.910 4.062 ( 0.000 0.074 -12.363) 12.363 4.264 ( -0.000 -6.556 4.420) 7.907 5.667 ( 0.000 -0.839 -0.810) 1.166 5.750 ( 0.000 0.008 -1.886) 1.886 5.804 ( -0.000 0.915 0.111) 0.922 5.913 ( -0.000 -0.797 0.446) 0.913 5.923 ( 0.000 1.366 -2.675) 3.003 6.029 ( 0.000 0.637 -0.476) 0.795 6.127 ( 0.000 0.969 -0.112) 0.976 6.518 ( 0.000 10.098 -35.898) 37.292 6.765 ( -0.000 -0.714 5.870) 5.913 7.083 ( -0.000 -0.058 0.026) 0.063 7.090 ( 0.000 0.757 -1.350) 1.548 7.374 ( -0.000 -19.387 46.067) 49.980 8.697 ( 0.000 -1.284 -0.006) 1.284 8.724 ( 0.000 0.417 -1.285) 1.351 8.760 ( -0.000 -2.028 0.051) 2.029 9.000 ( 0.000 -0.879 -0.038) 0.879 9.043 ( -0.000 3.099 1.549) 3.464 10.031 ( 0.000 -6.289 -1.754) 6.529 10.577 ( 0.000 0.201 -0.051) 0.207 10.785 ( 0.000 5.070 -7.970) 9.446 10.832 ( 0.000 0.016 -0.069) 0.071 10.864 ( -0.000 2.864 1.776) 3.370 10.969 ( -0.000 -0.025 0.146) 0.148 11.063 ( 0.000 2.434 -1.429) 2.822 11.137 ( 0.000 2.350 -2.449) 3.395 11.169 ( 0.000 0.332 -0.031) 0.333 11.242 ( -0.000 3.140 6.575) 7.287 11.861 ( -0.000 0.338 2.475) 2.498 15.188 ( 0.000 0.595 -0.566) 0.821 15.499 ( -0.000 0.452 0.031) 0.453 16.188 ( -0.000 0.610 0.271) 0.667 16.463 ( 0.000 0.834 -0.420) 0.934 16.474 ( 0.000 5.596 -2.737) 6.229 16.600 ( 0.000 3.346 -17.184) 17.507 17.989 ( 0.000 -2.441 -10.392) 10.675 18.303 ( -0.000 -13.079 23.495) 26.890======================= Grid point 13 (8/116) =======================q-point: ( 0.20 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.670 ( 10.908 12.312 10.520) 19.525 0.836 ( 15.905 19.089 -0.087) 24.847 1.045 ( 8.945 25.854 9.042) 28.813 1.550 ( 1.131 5.171 -8.299) 9.843 1.639 ( -0.565 -0.645 0.518) 1.002 1.660 ( 2.831 3.788 0.246) 4.735 1.783 ( 4.788 4.588 -0.623) 6.661 1.827 ( 2.447 1.852 -0.125) 3.071 1.895 ( 0.695 5.280 3.590) 6.423 2.198 ( 0.407 -0.056 -2.730) 2.761 2.340 ( -0.356 -0.184 -0.172) 0.436 2.350 ( 0.017 -0.332 0.108) 0.350 2.560 ( -1.354 -2.100 2.315) 3.406 2.624 ( -0.731 -0.386 -0.464) 0.948 2.691 ( 1.750 1.635 -0.163) 2.400 2.854 ( -0.545 -0.311 -0.255) 0.677 2.957 ( 0.776 1.337 0.044) 1.547 3.183 ( 2.423 2.211 -1.488) 3.602 3.311 ( -0.291 -0.400 -0.079) 0.501 3.444 ( -1.141 -1.703 0.242) 2.064 3.921 ( -0.342 -2.395 -3.312) 4.101 3.933 ( -0.469 -1.143 1.411) 1.876 3.986 ( -3.217 -4.000 -3.226) 6.063 4.171 ( -5.111 -5.157 4.944) 8.784 5.660 ( 0.479 -1.332 -0.477) 1.493 5.739 ( -0.215 -0.794 -1.816) 1.994 5.821 ( 0.762 1.240 0.090) 1.458 5.873 ( -3.910 1.313 -2.455) 4.799 5.929 ( 1.577 0.483 -1.621) 2.312 6.073 ( 2.836 0.109 1.081) 3.037 6.142 ( 0.600 1.045 -0.139) 1.213 6.478 ( -1.692 0.392 -17.967) 18.051 6.771 ( -0.338 -1.697 5.640) 5.899 7.077 ( -0.500 0.129 -0.582) 0.778 7.101 ( 0.690 0.283 -0.390) 0.842 7.306 ( -3.710 -8.493 22.983) 24.781 8.668 ( -1.769 -3.891 -1.956) 4.701 8.709 ( -0.606 -1.728 0.146) 1.837 8.763 ( 1.767 1.682 0.791) 2.565 8.999 ( 0.301 -0.526 -0.304) 0.679 9.071 ( -0.440 3.496 1.775) 3.945 9.933 ( -3.089 -6.154 -2.193) 7.227 10.584 ( 0.330 0.564 0.069) 0.657 10.832 ( 0.679 0.507 -1.111) 1.397 10.839 ( 2.877 2.418 -5.238) 6.447 10.925 ( 2.683 3.371 2.019) 4.759 10.964 ( -0.184 -0.223 0.335) 0.443 11.125 ( 1.281 2.891 1.096) 3.346 11.167 ( 2.129 2.636 -1.585) 3.740 11.177 ( 1.338 1.632 0.093) 2.112 11.257 ( -3.216 3.376 5.601) 7.288 11.894 ( 2.289 1.635 0.282) 2.827 15.197 ( 0.451 0.859 -0.660) 1.173 15.507 ( 0.388 0.710 0.063) 0.812 16.215 ( 1.831 0.973 1.340) 2.469 16.467 ( -0.216 1.663 -1.987) 2.600 16.565 ( 5.171 4.384 -1.880) 7.035 16.580 ( 0.668 1.352 -12.008) 12.102 17.902 ( -2.436 -7.340 -4.507) 8.951 18.162 ( -9.797 -10.173 14.785) 20.447======================= Grid point 14 (9/116) =======================q-point: ( 0.30 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.994 ( 11.729 8.581 10.175) 17.740 1.267 ( 16.106 14.876 2.009) 22.016 1.448 ( 10.407 17.056 3.402) 20.268 1.611 ( 2.904 4.386 -4.352) 6.827 1.640 ( 1.428 3.916 -1.604) 4.466 1.724 ( 1.232 1.909 0.617) 2.354 1.895 ( 3.983 2.743 0.781) 4.899 1.909 ( 5.124 2.767 -3.097) 6.595 1.982 ( 2.121 5.646 1.798) 6.294 2.224 ( 3.157 1.946 -1.997) 4.212 2.320 ( -2.104 0.152 0.073) 2.111 2.350 ( 0.796 -1.213 0.008) 1.451 2.526 ( -1.000 -1.839 0.755) 2.225 2.603 ( -1.294 0.009 -0.896) 1.574 2.747 ( 3.128 1.767 -0.783) 3.676 2.849 ( -0.959 2.277 -0.471) 2.515 2.980 ( 0.530 1.139 0.057) 1.258 3.237 ( 3.496 -0.683 -3.828) 5.229 3.299 ( -0.362 -0.279 -0.114) 0.471 3.409 ( -1.328 -1.167 0.361) 1.804 3.791 ( -6.650 -6.947 -2.793) 10.014 3.859 ( -6.082 -5.386 1.254) 8.220 3.947 ( -0.524 -0.487 2.781) 2.872 4.085 ( -2.466 -1.531 4.981) 5.765 5.653 ( 0.368 -1.414 -0.078) 1.463 5.716 ( -0.236 -1.645 -2.764) 3.225 5.820 ( -3.419 1.977 -1.921) 4.392 5.850 ( 1.104 1.285 0.081) 1.696 5.961 ( 2.143 0.702 -1.633) 2.784 6.112 ( 1.274 0.210 1.214) 1.772 6.162 ( 1.197 -0.464 -0.415) 1.349 6.349 ( -6.203 -3.539 -7.600) 10.429 6.761 ( -0.430 -2.102 3.353) 3.981 7.068 ( -0.565 0.326 -0.666) 0.932 7.111 ( 0.533 -0.137 0.156) 0.573 7.265 ( -1.783 -3.120 10.905) 11.482 8.584 ( -2.438 -4.122 -1.693) 5.079 8.672 ( -3.117 0.784 -0.019) 3.214 8.834 ( 5.120 -0.486 1.129) 5.265 8.989 ( -1.626 0.886 -0.007) 1.852 9.114 ( 2.000 1.501 1.193) 2.771 9.822 ( -2.996 -4.642 -2.023) 5.884 10.598 ( 0.322 1.205 0.233) 1.268 10.833 ( -0.416 0.567 -0.317) 0.771 10.896 ( 3.495 1.658 -5.156) 6.446 10.967 ( 0.393 0.398 0.782) 0.962 11.011 ( 3.356 1.836 1.777) 4.218 11.142 ( -2.759 4.620 0.615) 5.416 11.175 ( -0.030 0.204 -1.237) 1.254 11.231 ( -3.108 3.170 4.703) 6.467 11.324 ( 7.337 2.164 1.560) 7.807 11.961 ( 3.853 1.496 -0.441) 4.157 15.213 ( 0.696 0.936 -0.603) 1.313 15.524 ( 0.691 0.833 0.126) 1.090 16.267 ( 1.831 2.051 2.254) 3.555 16.469 ( -0.284 1.077 -3.832) 3.990 16.549 ( -0.256 0.858 -8.999) 9.043 16.718 ( 8.245 3.786 -0.455) 9.084 17.752 ( -4.801 -8.873 -1.852) 10.257 17.925 ( -12.712 -8.812 10.005) 18.422======================= Grid point 15 (10/116) =======================q-point: ( 0.40 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.261 ( 8.630 5.571 8.374) 13.253 1.545 ( -1.061 -0.576 -0.523) 1.315 1.637 ( 12.233 10.483 3.451) 16.476 1.720 ( 3.934 5.428 -3.668) 7.641 1.756 ( 1.405 2.238 -0.652) 2.722 1.858 ( 9.758 11.087 -0.286) 14.773 1.944 ( 1.511 1.756 -3.611) 4.290 2.017 ( 3.968 2.814 1.494) 5.089 2.070 ( 2.563 3.971 0.580) 4.762 2.269 ( -3.727 -0.376 0.134) 3.748 2.314 ( 3.964 2.156 -1.072) 4.638 2.359 ( 2.233 -0.535 0.246) 2.310 2.505 ( 0.461 -1.528 -0.127) 1.601 2.579 ( -1.330 0.473 -0.919) 1.684 2.808 ( 2.333 0.961 -1.175) 2.783 2.875 ( 0.445 6.051 -0.342) 6.077 2.994 ( 0.059 0.889 0.077) 0.895 3.224 ( 0.364 -4.676 -3.808) 6.042 3.302 ( 0.042 0.068 -4.342) 4.343 3.387 ( -0.956 0.044 -0.223) 0.982 3.618 ( -8.961 -7.436 13.363) 17.724 3.677 ( -6.164 -4.363 -6.117) 9.718 3.945 ( -0.580 -0.017 2.307) 2.379 4.081 ( 0.619 -0.839 3.407) 3.563 5.646 ( 0.284 -1.057 -0.008) 1.095 5.686 ( 0.193 -2.146 -3.068) 3.749 5.788 ( -2.329 2.307 -1.111) 3.461 5.878 ( 0.922 1.040 0.114) 1.395 5.996 ( 1.670 0.807 -1.186) 2.202 6.108 ( -4.307 -6.608 -2.180) 8.184 6.130 ( 0.050 0.254 0.902) 0.939 6.240 ( -1.778 1.262 -0.621) 2.267 6.744 ( -0.112 -1.856 0.957) 2.091 7.061 ( -0.553 0.549 -0.444) 0.897 7.117 ( 0.296 -0.246 0.215) 0.441 7.254 ( -0.633 -1.144 4.867) 5.039 8.514 ( -1.474 -2.610 -1.151) 3.211 8.630 ( -2.854 1.152 -0.143) 3.081 8.912 ( 5.118 -1.958 0.689) 5.523 8.968 ( -2.286 1.743 0.216) 2.882 9.163 ( 2.751 -0.492 1.042) 2.983 9.740 ( -1.757 -3.133 -1.521) 3.901 10.617 ( 0.075 1.674 0.301) 1.703 10.828 ( -0.860 0.921 -0.217) 1.279 10.949 ( 3.251 1.433 -5.227) 6.321 10.987 ( 0.402 1.739 0.953) 2.023 11.072 ( 2.109 0.195 1.663) 2.692 11.128 ( -3.479 2.877 0.835) 4.591 11.174 ( -0.251 1.051 -0.753) 1.317 11.222 ( -2.941 2.829 4.004) 5.717 11.459 ( 6.370 0.269 1.575) 6.567 12.034 ( 3.881 0.393 -0.881) 3.999 15.231 ( 0.601 0.768 -0.340) 1.033 15.544 ( 0.664 0.687 0.221) 0.980 16.321 ( 0.655 3.182 1.971) 3.800 16.450 ( 0.160 -1.332 -4.661) 4.850 16.535 ( -1.421 3.998 -5.400) 6.867 16.897 ( 10.177 2.265 -0.030) 10.426 17.583 ( -4.709 -8.471 -3.609) 10.342 17.672 ( -11.958 -7.290 9.718) 17.046======================= Grid point 16 (11/116) =======================q-point: ( 0.50 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.430 ( 4.553 2.837 4.994) 7.329 1.493 ( -3.212 -1.764 -1.798) 4.081 1.767 ( 1.070 0.204 0.339) 1.141 1.811 ( 1.410 4.172 -1.295) 4.591 1.911 ( 5.777 4.984 1.279) 7.736 1.932 ( 2.180 2.033 -1.841) 3.503 2.045 ( -1.613 1.053 -1.732) 2.591 2.063 ( 2.998 4.301 -0.090) 5.244 2.143 ( -0.951 -0.218 0.418) 1.062 2.200 ( -1.679 1.397 -0.101) 2.187 2.357 ( 1.604 -0.208 -0.204) 1.631 2.429 ( 3.099 1.060 0.125) 3.278 2.511 ( 1.372 -0.814 0.391) 1.643 2.567 ( -0.727 1.166 -0.134) 1.381 2.829 ( -0.691 2.217 -0.130) 2.325 2.977 ( 4.140 4.972 -1.212) 6.582 3.002 ( 0.125 1.821 -0.514) 1.897 3.160 ( -1.143 -4.736 -3.112) 5.781 3.257 ( -2.389 0.438 -3.651) 4.386 3.372 ( -1.027 0.016 0.198) 1.046 3.425 ( -7.220 -5.806 6.254) 11.178 3.625 ( 0.716 -1.407 3.908) 4.214 3.940 ( -0.730 0.210 0.318) 0.823 4.091 ( 1.001 -2.006 0.530) 2.304 5.640 ( 0.014 -0.358 -1.309) 1.357 5.671 ( 1.519 -2.242 -0.369) 2.733 5.780 ( -1.002 2.313 -0.804) 2.646 5.896 ( 0.248 0.556 0.096) 0.616 5.975 ( -2.989 -3.750 0.749) 4.853 6.022 ( 0.617 0.755 -0.779) 1.248 6.134 ( -0.004 -0.122 0.033) 0.126 6.243 ( -0.246 1.096 -0.009) 1.123 6.731 ( 0.347 -1.330 -0.672) 1.530 7.058 ( -0.428 0.706 -0.074) 0.829 7.118 ( 0.154 -0.276 0.167) 0.358 7.249 ( -0.407 -0.619 1.418) 1.600 8.480 ( -0.056 -1.306 -0.757) 1.510 8.604 ( -1.757 1.642 -0.125) 2.408 8.948 ( -0.468 0.537 -0.352) 0.795 8.964 ( 2.058 -1.815 -0.024) 2.744 9.195 ( 2.073 -2.113 1.690) 3.409 9.698 ( -0.059 -1.736 -0.955) 1.983 10.630 ( -0.516 1.613 0.233) 1.709 10.823 ( -0.922 1.318 0.007) 1.608 10.988 ( 1.752 1.319 -5.252) 5.692 11.012 ( -0.507 3.163 -0.545) 3.250 11.094 ( -0.764 -0.005 4.033) 4.105 11.101 ( -0.759 -0.227 -0.006) 0.793 11.181 ( -0.283 1.619 0.008) 1.643 11.215 ( -2.747 2.523 3.886) 5.387 11.533 ( 3.277 -2.111 0.152) 3.901 12.080 ( 2.369 -1.064 -1.089) 2.816 15.243 ( 0.205 0.441 0.148) 0.508 15.557 ( 0.213 0.317 0.283) 0.475 16.352 ( -1.348 3.454 -0.195) 3.713 16.433 ( 1.300 -1.621 -2.374) 3.155 16.538 ( -1.981 5.300 -2.164) 6.058 17.076 ( 8.845 1.051 -2.401) 9.225 17.398 ( -5.179 -7.945 -2.408) 9.785 17.521 ( -3.845 -3.784 8.121) 9.749======================= Grid point 17 (12/116) =======================q-point: (-0.40 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.384 ( -6.365 -3.194 -3.851) 8.096 1.513 ( 2.229 1.292 2.118) 3.335 1.763 ( -1.127 -1.017 -0.546) 1.613 1.823 ( -3.162 1.338 1.065) 3.595 1.891 ( -9.634 -2.280 -2.172) 10.136 1.939 ( -0.736 0.389 -0.931) 1.248 2.055 ( -2.293 1.551 -0.428) 2.801 2.061 ( -0.750 -0.826 0.304) 1.156 2.145 ( -1.052 0.087 0.788) 1.317 2.202 ( -0.142 2.682 0.232) 2.696 2.357 ( -0.631 -1.169 0.051) 1.329 2.425 ( -2.405 -2.264 -0.627) 3.361 2.521 ( -0.007 -1.541 1.851) 2.409 2.573 ( -0.309 1.519 0.875) 1.780 2.835 ( -1.275 1.929 0.766) 2.436 2.974 ( -6.098 -0.258 -1.845) 6.376 3.001 ( -1.384 0.946 -0.653) 1.799 3.191 ( 6.004 -1.084 2.491) 6.590 3.281 ( 6.264 4.973 -2.836) 8.486 3.349 ( 1.546 -1.202 -1.606) 2.533 3.384 ( -0.056 0.782 1.263) 1.487 3.649 ( 1.688 -1.083 7.471) 7.736 3.928 ( -0.532 0.219 -1.858) 1.945 4.073 ( -0.014 -2.316 -2.851) 3.673 5.635 ( 0.435 -0.249 -1.802) 1.870 5.688 ( 2.043 -1.585 2.232) 3.416 5.785 ( -0.878 2.030 0.175) 2.218 5.896 ( -0.634 0.060 0.118) 0.648 5.978 ( 4.596 0.471 1.144) 4.760 6.030 ( 0.105 0.370 0.881) 0.961 6.129 ( -0.169 -0.197 -0.863) 0.901 6.243 ( -0.864 0.843 -0.061) 1.209 6.726 ( 0.730 -0.805 -1.599) 1.934 7.060 ( -0.226 0.749 0.329) 0.849 7.118 ( 0.080 -0.365 0.027) 0.375 7.236 ( -0.604 -0.557 -1.027) 1.315 8.482 ( 1.454 -0.345 -0.477) 1.569 8.605 ( -0.519 2.443 -0.050) 2.498 8.946 ( 0.003 -0.135 -0.835) 0.846 8.958 ( -0.059 -1.942 -0.922) 2.150 9.199 ( 0.664 -3.354 2.425) 4.192 9.700 ( 1.937 -0.481 -0.497) 2.057 10.630 ( -1.189 1.077 0.074) 1.606 10.825 ( -0.664 1.602 0.221) 1.748 10.988 ( -0.546 0.062 -2.814) 2.867 11.023 ( -0.768 2.566 -4.140) 4.931 11.068 ( -2.619 -0.662 4.198) 4.992 11.117 ( 0.455 1.426 1.087) 1.850 11.192 ( -0.280 1.377 0.481) 1.485 11.208 ( -2.273 1.900 4.136) 5.088 11.524 ( -0.332 -4.234 -1.610) 4.542 12.080 ( 0.031 -2.284 -1.035) 2.508 15.246 ( -0.368 0.080 0.578) 0.689 15.557 ( -0.461 -0.074 0.260) 0.534 16.340 ( -2.883 2.498 -2.101) 4.355 16.449 ( 2.407 -0.799 0.606) 2.608 16.553 ( -2.226 5.497 0.478) 5.950 17.061 ( -4.662 -7.131 -5.127) 9.943 17.402 ( 8.325 2.975 -2.692) 9.241 17.515 ( 3.786 -2.507 7.942) 9.149======================= Grid point 18 (13/116) =======================q-point: (-0.30 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.192 ( -10.742 -4.735 -5.223) 12.849 1.552 ( 0.720 0.422 0.730) 1.109 1.602 ( -16.296 -3.958 -3.489) 17.129 1.745 ( -2.817 -0.264 -0.630) 2.899 1.763 ( -5.694 0.054 2.926) 6.403 1.874 ( -13.193 -3.665 1.994) 13.837 1.956 ( -3.267 -1.585 -0.902) 3.742 2.010 ( -4.161 -2.025 0.141) 4.630 2.070 ( -4.680 0.131 0.512) 4.710 2.266 ( 2.143 2.783 -0.403) 3.536 2.317 ( -3.736 -1.842 -0.329) 4.178 2.358 ( -0.512 -1.904 0.044) 1.972 2.513 ( 0.633 -1.284 0.882) 1.681 2.591 ( 0.183 1.463 1.179) 1.888 2.815 ( -2.203 -1.396 0.041) 2.608 2.879 ( -5.249 3.153 0.265) 6.129 2.993 ( -0.814 0.484 -0.128) 0.956 3.253 ( 3.067 -0.823 2.075) 3.793 3.342 ( -0.566 -3.275 0.756) 3.408 3.383 ( 0.821 0.042 -2.381) 2.519 3.518 ( 12.861 6.165 -1.488) 14.340 3.745 ( 6.882 1.701 6.691) 9.748 3.919 ( 0.072 0.427 -2.491) 2.528 4.041 ( -0.206 -1.063 -3.817) 3.968 5.639 ( 0.836 -0.117 -1.339) 1.582 5.715 ( 1.795 -1.280 2.144) 3.075 5.800 ( -0.125 2.719 1.356) 3.041 5.879 ( -1.396 -0.293 0.190) 1.439 6.003 ( -1.033 -0.869 0.252) 1.373 6.117 ( 0.035 0.248 -1.711) 1.729 6.135 ( 7.208 -0.407 2.664) 7.695 6.248 ( 1.396 3.123 0.940) 3.547 6.728 ( 0.904 -0.398 -2.026) 2.254 7.066 ( -0.027 0.656 0.608) 0.894 7.114 ( 0.007 -0.465 -0.268) 0.537 7.212 ( -0.837 -0.573 -3.077) 3.240 8.519 ( 3.291 0.401 -0.164) 3.319 8.631 ( 0.352 3.228 0.006) 3.247 8.899 ( -1.027 -5.118 -1.736) 5.501 8.965 ( -0.358 2.915 -0.429) 2.968 9.170 ( -1.024 -3.865 2.358) 4.641 9.747 ( 3.947 0.429 -0.128) 3.972 10.615 ( -1.411 0.520 -0.033) 1.504 10.831 ( -0.455 1.433 0.296) 1.532 10.967 ( -0.391 -1.098 -0.930) 1.491 10.997 ( -2.856 0.068 -0.189) 2.863 11.033 ( -1.693 -0.588 -1.760) 2.512 11.138 ( -1.898 4.418 1.538) 5.049 11.200 ( -0.855 2.116 -0.694) 2.386 11.205 ( -1.205 0.108 5.000) 5.144 11.439 ( -3.362 -5.553 -2.301) 6.887 12.034 ( -2.244 -2.684 -0.922) 3.618 15.237 ( -0.913 -0.174 0.625) 1.121 15.544 ( -0.980 -0.271 0.171) 1.031 16.298 ( -3.247 1.143 -2.290) 4.134 16.488 ( 1.224 0.344 2.731) 3.012 16.573 ( -1.005 4.025 1.325) 4.354 16.882 ( -6.237 -7.125 -2.808) 9.877 17.565 ( 9.133 4.631 -7.104) 12.463 17.661 ( 10.913 -0.183 7.925) 13.488======================= Grid point 19 (14/116) =======================q-point: (-0.20 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.919 ( -14.841 -4.643 -4.431) 16.169 1.243 ( -21.599 -2.972 -2.856) 21.989 1.439 ( -20.867 -3.862 1.554) 21.278 1.627 ( -2.145 -0.639 0.354) 2.266 1.680 ( -5.230 0.045 4.631) 6.986 1.712 ( -3.633 -0.596 -1.600) 4.015 1.871 ( -3.780 -2.100 -2.262) 4.880 1.941 ( -4.689 -0.140 -0.573) 4.726 1.970 ( -7.039 -1.255 1.648) 7.337 2.234 ( -2.678 -1.009 -0.078) 2.863 2.319 ( 1.154 1.879 -0.090) 2.207 2.350 ( 0.538 -1.265 0.023) 1.375 2.525 ( 1.320 -0.267 0.216) 1.364 2.611 ( 0.514 0.903 0.693) 1.249 2.749 ( -3.398 -1.205 -0.422) 3.630 2.854 ( -1.515 1.675 0.532) 2.320 2.980 ( -1.274 0.202 -0.016) 1.290 3.265 ( -2.847 -2.811 0.604) 4.046 3.298 ( 0.872 0.039 -0.338) 0.936 3.406 ( 1.975 0.379 -0.137) 2.016 3.776 ( 12.419 3.196 -0.141) 12.824 3.889 ( 4.499 -0.149 0.855) 4.582 3.944 ( 4.242 1.791 2.297) 5.146 4.032 ( 1.500 0.387 -3.428) 3.762 5.649 ( 0.950 -0.039 -0.767) 1.221 5.735 ( 1.227 -0.684 0.737) 1.587 5.839 ( 0.500 2.573 1.439) 2.990 5.852 ( -1.144 -0.302 0.917) 1.496 5.970 ( -1.469 -1.472 0.089) 2.082 6.098 ( -1.335 0.104 -1.557) 2.054 6.165 ( -0.589 -1.215 0.174) 1.361 6.417 ( 10.485 3.203 4.423) 11.822 6.733 ( 0.808 -0.128 -1.751) 1.933 7.074 ( 0.111 0.407 0.552) 0.695 7.108 ( -0.009 -0.345 -0.328) 0.476 7.179 ( -0.938 -0.535 -4.728) 4.850 8.593 ( 5.039 0.620 0.079) 5.078 8.672 ( 0.694 3.270 0.001) 3.343 8.822 ( -2.143 -4.178 -1.141) 4.832 8.987 ( 0.041 2.327 -0.396) 2.361 9.115 ( -2.281 -2.968 1.498) 4.032 9.833 ( 5.779 0.791 0.111) 5.834 10.597 ( -1.109 0.173 -0.032) 1.123 10.836 ( -0.386 0.753 0.172) 0.864 10.938 ( -2.739 -1.416 2.177) 3.775 10.959 ( -0.576 -0.014 -1.110) 1.251 10.980 ( -2.864 -1.133 -2.542) 3.993 11.145 ( -2.915 4.250 1.236) 5.300 11.196 ( -1.464 0.932 0.745) 1.889 11.201 ( -1.106 0.953 0.687) 1.614 11.311 ( -4.652 -5.371 -0.785) 7.149 11.961 ( -3.478 -1.802 -0.700) 3.979 15.219 ( -1.142 -0.195 0.356) 1.212 15.524 ( -1.094 -0.212 0.071) 1.116 16.248 ( -2.724 0.156 -1.420) 3.076 16.498 ( -1.643 1.002 1.872) 2.685 16.610 ( 1.518 1.534 1.586) 2.678 16.715 ( -6.849 -4.354 -0.777) 8.153 17.761 ( 12.619 2.663 -2.981) 13.236 17.864 ( 10.317 1.514 2.025) 10.622======================= Grid point 20 (15/116) =======================q-point: (-0.10 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.615 ( -17.783 0.000 0.000) 17.783 0.841 ( -24.644 0.000 0.000) 24.644 0.996 ( -28.611 0.000 0.000) 28.611 1.617 ( -3.087 0.000 0.000) 3.087 1.629 ( -3.944 0.000 0.000) 3.944 1.637 ( 0.102 -0.000 -0.000) 0.102 1.791 ( -5.195 0.000 0.000) 5.195 1.837 ( -7.464 0.000 0.000) 7.464 1.866 ( -3.656 0.000 0.000) 3.656 2.212 ( 0.069 -0.000 -0.000) 0.069 2.341 ( 0.334 -0.000 -0.000) 0.334 2.350 ( 0.333 -0.000 -0.000) 0.333 2.547 ( 1.476 -0.000 -0.000) 1.476 2.626 ( 0.653 -0.000 -0.000) 0.653 2.692 ( -2.659 0.000 0.000) 2.659 2.855 ( 0.524 -0.000 -0.000) 0.524 2.957 ( -1.573 0.000 0.000) 1.573 3.192 ( -3.851 0.000 0.000) 3.851 3.312 ( 0.521 -0.000 -0.000) 0.521 3.443 ( 2.091 -0.000 -0.000) 2.091 3.917 ( 1.053 -0.000 -0.000) 1.053 3.920 ( 2.967 -0.000 -0.000) 2.967 4.060 ( 5.787 -0.000 -0.000) 5.787 4.112 ( 8.625 -0.000 -0.000) 8.625 5.662 ( 0.827 -0.000 -0.000) 0.827 5.749 ( 0.808 -0.000 -0.000) 0.808 5.821 ( -1.499 0.000 0.000) 1.499 5.885 ( 1.608 -0.000 -0.000) 1.608 5.938 ( -1.182 0.000 0.000) 1.182 6.067 ( -1.924 0.000 0.000) 1.924 6.142 ( -1.202 0.000 0.000) 1.202 6.606 ( 8.635 -0.000 -0.000) 8.635 6.740 ( 0.555 -0.000 -0.000) 0.555 7.080 ( 0.182 -0.000 -0.000) 0.182 7.110 ( 0.479 -0.000 -0.000) 0.479 7.145 ( -1.224 0.000 0.000) 1.224 8.680 ( 3.987 -0.000 -0.000) 3.987 8.709 ( 2.073 -0.000 -0.000) 2.073 8.758 ( -2.414 0.000 0.000) 2.414 9.001 ( 0.232 -0.000 -0.000) 0.232 9.061 ( -2.610 0.000 0.000) 2.610 9.944 ( 6.954 -0.000 -0.000) 6.954 10.584 ( -0.606 0.000 0.000) 0.606 10.834 ( -0.256 0.000 0.000) 0.256 10.889 ( -2.820 0.000 0.000) 2.820 10.898 ( -5.043 0.000 0.000) 5.043 10.962 ( 0.452 -0.000 -0.000) 0.452 11.118 ( -3.416 0.000 0.000) 3.416 11.177 ( -1.316 0.000 0.000) 1.316 11.185 ( -1.258 0.000 0.000) 1.258 11.217 ( -3.257 0.000 0.000) 3.257 11.893 ( -3.297 0.000 0.000) 3.297 15.201 ( -0.946 0.000 0.000) 0.946 15.507 ( -0.820 0.000 0.000) 0.820 16.208 ( -1.767 0.000 0.000) 1.767 16.478 ( -1.467 0.000 0.000) 1.467 16.574 ( -7.220 0.000 0.000) 7.220 16.650 ( 1.704 -0.000 -0.000) 1.704 17.983 ( 12.677 -0.000 -0.000) 12.677 18.021 ( 7.384 -0.000 -0.000) 7.384======================= Grid point 23 (16/116) =======================q-point: ( 0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.751 ( -0.000 14.861 9.199) 17.478 0.899 ( -0.000 22.346 0.006) 22.346 1.265 ( -0.000 25.428 10.872) 27.655 1.573 ( 0.000 6.240 -6.927) 9.323 1.642 ( -0.000 0.070 0.753) 0.757 1.679 ( 0.000 6.197 -1.301) 6.332 1.793 ( -0.000 5.582 0.401) 5.596 1.816 ( 0.000 0.906 -1.478) 1.734 1.956 ( -0.000 5.847 2.541) 6.375 2.184 ( 0.000 0.524 -3.211) 3.253 2.327 ( -0.000 -1.520 0.047) 1.521 2.359 ( -0.000 0.533 0.119) 0.546 2.560 ( -0.000 -2.141 1.889) 2.855 2.621 ( 0.000 -0.861 -0.075) 0.864 2.691 ( 0.000 1.840 -1.545) 2.403 2.846 ( 0.000 -0.938 -0.024) 0.938 2.961 ( -0.000 1.184 0.096) 1.188 3.185 ( 0.000 2.744 -2.573) 3.762 3.309 ( 0.000 -0.487 -0.012) 0.488 3.437 ( -0.000 -2.021 0.423) 2.065 3.874 ( 0.000 -3.269 -10.752) 11.238 3.930 ( -0.000 -1.347 2.597) 2.926 3.979 ( -0.000 -4.818 6.889) 8.407 4.179 ( -0.000 -5.168 4.130) 6.616 5.637 ( 0.000 -1.427 -1.572) 2.123 5.731 ( 0.000 -0.560 -2.099) 2.173 5.828 ( -0.000 1.404 0.183) 1.416 5.898 ( -0.000 -1.080 0.524) 1.200 5.936 ( 0.000 2.243 -3.725) 4.348 6.040 ( 0.000 0.758 -0.370) 0.844 6.153 ( 0.000 1.739 -0.145) 1.745 6.442 ( 0.000 -1.223 -12.537) 12.597 6.768 ( -0.000 -3.201 4.891) 5.845 7.082 ( -0.000 -0.076 0.080) 0.110 7.095 ( 0.000 0.643 -1.046) 1.227 7.318 ( -0.000 -9.102 18.560) 20.672 8.635 ( 0.000 -5.623 -2.392) 6.111 8.663 ( 0.000 -2.142 -0.093) 2.144 8.799 ( -0.000 3.435 0.258) 3.445 8.977 ( 0.000 -1.423 0.000) 1.423 9.141 ( -0.000 5.471 3.000) 6.240 9.884 ( 0.000 -6.921 -2.930) 7.516 10.583 ( 0.000 0.509 -0.117) 0.522 10.810 ( 0.000 2.784 -6.627) 7.188 10.830 ( 0.000 -0.177 -0.093) 0.200 10.954 ( -0.000 5.001 1.969) 5.375 10.971 ( -0.000 0.191 0.200) 0.276 11.115 ( -0.000 2.827 1.945) 3.432 11.175 ( 0.000 0.311 -0.031) 0.313 11.205 ( -0.000 5.214 0.451) 5.233 11.346 ( -0.000 2.946 6.617) 7.243 11.893 ( 0.000 2.440 -1.484) 2.856 15.201 ( 0.000 1.158 -0.591) 1.300 15.513 ( -0.000 0.961 0.168) 0.975 16.206 ( -0.000 0.982 0.429) 1.072 16.481 ( 0.000 1.379 -0.657) 1.527 16.515 ( 0.000 -0.843 -10.001) 10.036 16.589 ( 0.000 7.495 -6.560) 9.960 17.838 ( -0.000 -9.400 0.569) 9.417 18.186 ( -0.000 -11.328 11.540) 16.171======================= Grid point 24 (17/116) =======================q-point: ( 0.30 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.970 ( 6.538 11.802 9.683) 16.607 1.198 ( 10.663 18.985 -0.347) 21.778 1.522 ( 2.251 12.167 5.070) 13.372 1.619 ( 1.115 6.572 -2.880) 7.262 1.670 ( 0.772 7.626 -0.247) 7.669 1.740 ( 0.481 4.815 0.681) 4.887 1.856 ( 3.571 3.636 -1.223) 5.241 1.874 ( 2.875 5.163 -0.936) 5.983 2.014 ( 0.826 4.368 0.551) 4.479 2.199 ( 1.372 2.746 -2.723) 4.103 2.317 ( 0.911 -2.219 -0.109) 2.401 2.354 ( -1.305 0.615 0.439) 1.508 2.531 ( -1.421 -2.169 0.977) 2.771 2.613 ( -0.278 -0.406 -0.470) 0.680 2.715 ( 1.861 1.584 -2.448) 3.459 2.857 ( 1.727 0.747 -0.178) 1.891 2.978 ( 0.783 0.862 0.038) 1.165 3.194 ( 0.026 0.376 -3.391) 3.412 3.301 ( -0.359 -0.647 0.140) 0.753 3.414 ( -0.686 -1.660 0.548) 1.878 3.787 ( -2.504 -3.563 -7.649) 8.802 3.906 ( -3.366 -4.909 5.585) 8.162 3.948 ( -0.195 -2.864 5.065) 5.822 4.125 ( -2.471 -3.005 4.223) 5.742 5.623 ( 0.655 -1.692 -1.561) 2.393 5.709 ( -0.933 -0.775 -2.627) 2.893 5.847 ( 0.601 1.279 0.260) 1.437 5.879 ( -1.927 0.046 -0.218) 1.940 5.939 ( 0.523 2.190 -2.743) 3.549 6.073 ( 2.539 -0.286 -0.270) 2.569 6.165 ( -0.475 1.381 -0.018) 1.461 6.359 ( -2.539 -4.841 -6.159) 8.234 6.746 ( -0.045 -3.666 2.356) 4.358 7.079 ( -0.383 0.327 -0.198) 0.541 7.102 ( 0.416 0.289 -0.217) 0.551 7.288 ( -1.083 -5.030 11.226) 12.349 8.563 ( -1.203 -4.796 -2.375) 5.486 8.670 ( 2.566 -2.436 -0.099) 3.540 8.815 ( -1.485 2.984 0.359) 3.352 8.978 ( 1.530 -1.268 -0.208) 1.998 9.175 ( -3.103 5.201 3.387) 6.939 9.800 ( -1.411 -5.698 -2.919) 6.556 10.600 ( 1.057 1.020 0.362) 1.512 10.826 ( 1.307 0.129 -2.820) 3.111 10.844 ( 2.190 1.345 -3.496) 4.339 10.967 ( -0.145 0.325 0.573) 0.674 11.016 ( 0.586 4.756 1.626) 5.060 11.176 ( -0.145 0.222 -0.480) 0.549 11.193 ( 3.403 3.001 1.764) 4.868 11.260 ( 1.032 4.657 1.812) 5.102 11.360 ( -3.785 3.110 6.431) 8.084 11.925 ( 1.867 2.067 -2.248) 3.580 15.214 ( 0.320 1.269 -0.396) 1.367 15.526 ( 0.311 1.090 0.268) 1.165 16.246 ( 3.108 1.412 1.028) 3.565 16.457 ( -0.570 -1.366 -7.529) 7.673 16.523 ( 2.545 2.015 -4.113) 5.240 16.656 ( 2.779 5.308 -4.492) 7.488 17.725 ( -3.113 -10.020 2.271) 10.735 18.046 ( -8.179 -9.879 8.846) 15.580======================= Grid point 25 (18/116) =======================q-point: ( 0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.217 ( 7.664 7.809 9.135) 14.254 1.540 ( 7.082 8.752 -0.068) 11.259 1.569 ( 4.286 4.627 0.406) 6.320 1.701 ( 2.714 3.873 -2.574) 5.384 1.757 ( 1.299 5.819 -3.821) 7.082 1.859 ( 3.726 7.778 1.849) 8.820 1.940 ( 1.183 4.707 -2.058) 5.271 1.988 ( 4.737 7.506 3.725) 9.626 2.081 ( 1.942 3.887 -0.446) 4.367 2.261 ( 3.515 3.660 -2.117) 5.499 2.311 ( 0.886 -2.772 0.123) 2.913 2.334 ( -1.971 0.967 -0.197) 2.204 2.492 ( -0.803 -1.912 0.894) 2.258 2.600 ( -0.914 0.397 -0.900) 1.343 2.759 ( 3.097 0.564 -2.621) 4.096 2.915 ( 2.203 4.381 -0.585) 4.939 3.002 ( 0.993 1.094 -0.177) 1.488 3.161 ( -0.564 -3.868 -3.463) 5.222 3.292 ( 0.004 -0.275 -0.523) 0.591 3.395 ( -0.392 -0.690 0.432) 0.903 3.691 ( -4.382 -1.101 -1.236) 4.684 3.754 ( -8.880 -8.659 6.587) 14.043 3.951 ( 0.504 -0.906 2.424) 2.636 4.086 ( -1.398 -1.865 3.197) 3.957 5.615 ( 1.017 -1.798 -1.297) 2.439 5.673 ( -1.171 -0.876 -2.938) 3.282 5.843 ( -2.358 0.874 0.212) 2.523 5.875 ( 0.799 1.340 -0.371) 1.604 5.972 ( 1.828 1.709 -1.773) 3.067 6.086 ( -0.184 -3.317 -0.770) 3.410 6.145 ( -1.886 -1.202 0.384) 2.270 6.268 ( -1.492 -1.622 -1.460) 2.643 6.719 ( 0.322 -3.100 0.056) 3.118 7.076 ( -0.502 0.735 -0.282) 0.934 7.110 ( 0.322 -0.074 0.273) 0.429 7.268 ( -0.755 -2.269 5.709) 6.189 8.499 ( -0.899 -3.284 -1.834) 3.867 8.677 ( -0.297 -0.296 -0.449) 0.615 8.827 ( 1.567 -0.417 0.478) 1.690 8.995 ( 1.232 -0.115 -0.376) 1.294 9.172 ( -3.001 2.691 3.394) 5.269 9.722 ( -1.157 -4.041 -2.400) 4.841 10.633 ( 0.710 1.986 1.130) 2.392 10.837 ( 0.845 0.099 -1.316) 1.567 10.889 ( 3.141 1.450 -4.674) 5.815 10.989 ( 1.923 0.717 1.066) 2.312 11.063 ( -0.183 3.364 0.318) 3.384 11.168 ( -0.625 0.065 -0.996) 1.177 11.241 ( -2.071 4.678 0.545) 5.145 11.339 ( -3.680 3.519 6.787) 8.485 11.359 ( 4.806 0.364 2.545) 5.450 11.971 ( 3.162 0.414 -2.294) 3.928 15.231 ( 0.415 1.108 -0.107) 1.188 15.543 ( 0.453 0.955 0.368) 1.119 16.329 ( 3.469 3.051 1.387) 4.823 16.411 ( 0.154 -2.242 -6.326) 6.713 16.573 ( 0.617 5.625 -5.668) 8.009 16.755 ( 7.585 0.754 -1.351) 7.741 17.569 ( -5.216 -9.557 0.639) 10.906 17.824 ( -11.313 -7.963 8.242) 16.103======================= Grid point 26 (19/116) =======================q-point: ( 0.50 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.403 ( 4.792 3.991 6.406) 8.940 1.520 ( -2.313 -1.303 -0.775) 2.765 1.742 ( 2.499 0.690 -0.173) 2.599 1.829 ( 2.790 7.200 -2.293) 8.055 1.860 ( 7.699 8.072 -0.269) 11.158 1.913 ( 0.693 0.620 -3.526) 3.647 2.026 ( 3.355 2.987 1.355) 4.692 2.095 ( -0.803 3.021 -0.506) 3.167 2.159 ( 3.173 5.061 1.437) 6.144 2.258 ( -4.730 -0.817 -1.043) 4.912 2.322 ( 1.549 -0.561 -1.164) 2.017 2.378 ( 5.112 3.538 0.356) 6.227 2.490 ( 0.926 0.093 1.510) 1.773 2.590 ( -0.729 1.149 -0.465) 1.438 2.806 ( 3.336 -0.273 -1.977) 3.887 2.978 ( 0.970 2.573 -0.615) 2.817 3.034 ( 0.036 4.237 -1.425) 4.470 3.104 ( 0.782 -4.912 -1.745) 5.271 3.289 ( -1.076 2.553 -4.198) 5.030 3.388 ( -0.383 0.397 -0.325) 0.640 3.531 ( -9.979 -8.680 9.087) 16.046 3.631 ( -2.592 -0.683 3.712) 4.579 3.955 ( -0.409 -0.183 0.924) 1.027 4.056 ( -0.046 -3.273 0.412) 3.299 5.617 ( 1.642 -1.496 -0.766) 2.350 5.640 ( -0.670 -0.891 -2.405) 2.651 5.819 ( -1.727 1.300 -0.002) 2.161 5.896 ( 0.536 0.741 -0.171) 0.931 5.990 ( -3.018 -4.461 1.428) 5.572 6.014 ( 0.928 1.471 -1.751) 2.468 6.128 ( 0.087 -0.968 0.092) 0.977 6.258 ( -0.149 0.931 -0.208) 0.966 6.702 ( 0.769 -2.135 -1.128) 2.534 7.075 ( -0.548 1.001 -0.217) 1.161 7.113 ( 0.190 -0.369 0.379) 0.562 7.256 ( -0.581 -1.087 2.298) 2.607 8.462 ( -0.072 -1.868 -1.206) 2.225 8.660 ( -2.221 2.074 -0.311) 3.055 8.853 ( 3.648 -3.915 -0.290) 5.359 9.008 ( -0.716 2.194 -0.430) 2.348 9.159 ( -0.531 -1.312 3.179) 3.480 9.674 ( -0.111 -2.510 -1.622) 2.991 10.661 ( -0.446 2.301 1.228) 2.646 10.847 ( 0.037 1.144 -0.727) 1.356 10.939 ( 3.186 1.108 -4.254) 5.429 11.045 ( 3.286 -0.005 0.723) 3.364 11.068 ( -2.007 3.271 -1.301) 4.053 11.156 ( -1.090 0.342 1.058) 1.557 11.236 ( -3.238 3.857 0.485) 5.059 11.322 ( -4.454 3.646 5.846) 8.204 11.441 ( 4.721 -2.949 1.139) 5.681 12.014 ( 3.312 -1.297 -2.099) 4.130 15.246 ( 0.269 0.751 0.239) 0.833 15.558 ( 0.280 0.591 0.415) 0.774 16.375 ( 1.146 -0.765 -5.603) 5.770 16.417 ( 0.576 3.988 2.603) 4.797 16.606 ( -0.565 5.736 -4.912) 7.573 16.912 ( 10.852 0.476 -0.990) 10.908 17.381 ( -5.954 -10.348 -1.720) 12.062 17.618 ( -8.882 -5.222 8.423) 13.309======================= Grid point 27 (20/116) =======================q-point: (-0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.442 ( -4.623 -1.718 -1.677) 5.209 1.500 ( 1.962 1.464 2.729) 3.666 1.765 ( 0.086 -0.444 -0.217) 0.501 1.890 ( -1.433 4.308 0.162) 4.543 1.919 ( 0.968 1.124 -2.286) 2.725 1.997 ( -1.350 0.658 0.072) 1.503 2.037 ( 1.180 -0.135 -1.138) 1.645 2.123 ( -2.700 -0.711 -0.102) 2.794 2.177 ( -1.653 5.533 -0.268) 5.781 2.219 ( 0.711 0.602 0.379) 1.006 2.341 ( 1.483 -1.030 -0.239) 1.821 2.445 ( -1.253 1.305 -0.543) 1.888 2.516 ( 0.425 -0.341 2.312) 2.375 2.598 ( -0.296 1.650 0.726) 1.827 2.837 ( 1.576 -1.066 -0.832) 2.077 2.996 ( 0.115 0.012 -0.022) 0.118 3.084 ( 2.318 4.711 -6.100) 8.049 3.092 ( 2.352 -2.339 2.411) 4.101 3.244 ( -4.691 1.573 -4.779) 6.879 3.367 ( -2.130 -0.373 1.599) 2.689 3.419 ( -2.029 1.954 4.418) 5.239 3.620 ( 1.752 -4.200 7.885) 9.104 3.937 ( -1.170 -0.277 -1.426) 1.865 4.030 ( 0.929 -3.026 -1.794) 3.639 5.621 ( 0.065 -0.439 -1.611) 1.670 5.640 ( 2.677 -1.148 0.483) 2.952 5.812 ( -0.703 1.235 0.020) 1.422 5.902 ( 0.094 0.021 -0.237) 0.256 5.938 ( 0.242 -1.206 1.676) 2.079 6.040 ( 0.113 1.514 -0.075) 1.520 6.119 ( 0.297 -1.184 -0.666) 1.391 6.263 ( -0.455 0.922 -0.017) 1.028 6.697 ( 1.027 -1.198 -1.357) 2.081 7.076 ( -0.487 1.065 0.013) 1.172 7.112 ( 0.118 -0.613 0.213) 0.660 7.241 ( -0.787 -0.640 0.275) 1.051 8.454 ( 0.960 -0.850 -0.701) 1.461 8.652 ( -1.706 3.411 0.043) 3.814 8.861 ( 2.979 -5.497 -1.061) 6.342 9.011 ( -2.095 3.853 -0.751) 4.450 9.151 ( 1.298 -4.175 2.905) 5.249 9.662 ( 1.346 -1.197 -0.871) 2.001 10.666 ( -1.507 1.583 0.610) 2.269 10.855 ( -0.616 1.884 0.038) 1.983 10.974 ( 1.278 0.271 -3.291) 3.541 11.033 ( -0.333 -0.337 -3.712) 3.742 11.119 ( -1.258 2.126 2.223) 3.324 11.146 ( 0.045 2.121 4.485) 4.962 11.223 ( -2.023 3.078 -1.237) 3.885 11.300 ( -4.016 2.680 4.472) 6.581 11.458 ( 1.997 -5.203 -0.886) 5.643 12.036 ( 2.053 -2.180 -1.592) 3.392 15.254 ( -0.107 0.343 0.462) 0.585 15.564 ( -0.206 0.187 0.341) 0.440 16.383 ( 2.117 -0.184 -2.850) 3.555 16.437 ( -3.174 3.641 0.085) 4.831 16.647 ( -0.367 6.425 -0.362) 6.445 17.024 ( -0.494 -3.061 -6.158) 6.894 17.257 ( 6.936 -5.842 1.776) 9.241 17.506 ( -3.127 -2.956 6.125) 7.485======================= Grid point 28 (21/116) =======================q-point: (-0.30 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.310 ( -8.719 -1.804 -1.935) 9.111 1.539 ( 1.336 0.450 0.740) 1.592 1.736 ( -3.194 -0.899 -0.553) 3.364 1.850 ( -9.352 0.721 -1.189) 9.455 1.873 ( -6.655 0.354 1.905) 6.931 1.943 ( 0.191 0.764 -0.909) 1.203 2.000 ( -3.286 -2.467 -0.986) 4.226 2.110 ( -3.414 1.868 1.107) 4.047 2.141 ( -5.268 -0.588 -0.438) 5.319 2.264 ( 1.407 2.818 -0.349) 3.169 2.342 ( -0.342 -0.502 0.494) 0.782 2.376 ( -5.281 -2.123 0.153) 5.694 2.497 ( -0.327 -1.425 0.519) 1.551 2.609 ( -0.370 1.161 0.916) 1.524 2.831 ( -0.836 -1.096 -0.435) 1.445 2.984 ( -1.952 0.285 0.163) 1.980 3.061 ( -6.843 4.885 0.227) 8.411 3.182 ( 5.907 -1.501 5.040) 7.909 3.248 ( 6.624 -1.294 -11.029) 12.930 3.355 ( 0.318 0.217 1.059) 1.127 3.446 ( 1.946 2.212 4.076) 5.029 3.672 ( 5.252 -1.160 4.432) 6.970 3.915 ( -0.347 -0.080 -1.658) 1.696 4.017 ( 0.584 -1.148 -1.943) 2.331 5.621 ( 0.681 -0.199 -0.711) 1.004 5.679 ( 2.423 -0.541 0.912) 2.645 5.818 ( 0.170 1.041 0.252) 1.084 5.898 ( -0.901 0.037 0.014) 0.901 5.986 ( 4.430 -0.068 0.398) 4.448 6.047 ( 0.778 0.396 1.040) 1.357 6.116 ( 0.405 -0.372 -0.848) 1.011 6.262 ( -0.376 0.807 0.078) 0.894 6.702 ( 1.069 -0.471 -0.951) 1.507 7.078 ( -0.361 0.772 0.243) 0.887 7.107 ( 0.092 -0.587 -0.081) 0.599 7.219 ( -1.202 -0.380 -0.667) 1.426 8.473 ( 2.263 -0.183 -0.275) 2.287 8.668 ( -0.670 3.539 0.243) 3.610 8.842 ( 1.260 -4.874 -1.058) 5.145 9.010 ( -1.765 3.298 -0.751) 3.815 9.139 ( 0.925 -3.821 1.932) 4.380 9.689 ( 3.012 -0.276 -0.308) 3.040 10.649 ( -1.930 0.632 0.076) 2.033 10.860 ( -0.970 1.467 0.324) 1.789 10.962 ( -0.487 -0.984 -1.154) 1.593 11.027 ( -0.205 1.341 -4.063) 4.284 11.070 ( -4.026 -1.251 3.183) 5.282 11.213 ( 0.742 0.663 3.758) 3.888 11.219 ( -1.729 5.608 -0.665) 5.906 11.273 ( -3.083 2.113 1.812) 4.153 11.406 ( -0.851 -6.153 -2.066) 6.546 12.028 ( -0.110 -1.736 -0.833) 1.928 15.251 ( -0.630 0.047 0.355) 0.725 15.558 ( -0.763 -0.038 0.166) 0.781 16.373 ( -4.370 1.654 -1.306) 4.852 16.446 ( 3.376 -0.076 0.290) 3.389 16.689 ( -4.118 7.850 2.043) 9.097 16.871 ( -3.954 -8.818 -4.217) 10.544 17.443 ( 12.305 3.709 -4.618) 13.656 17.503 ( 4.513 -3.984 7.257) 9.429======================= Grid point 29 (22/116) =======================q-point: (-0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.120 ( -12.674 0.000 0.000) 12.674 1.553 ( -17.573 0.000 0.000) 17.573 1.559 ( 0.295 -0.000 -0.000) 0.295 1.741 ( -2.984 0.000 0.000) 2.984 1.778 ( -8.054 0.000 0.000) 8.054 1.848 ( -14.379 0.000 0.000) 14.379 1.925 ( -4.252 0.000 0.000) 4.252 1.991 ( -3.095 0.000 0.000) 3.095 2.080 ( -5.768 0.000 0.000) 5.768 2.284 ( -3.960 0.000 0.000) 3.960 2.305 ( 2.070 -0.000 -0.000) 2.070 2.337 ( -0.310 0.000 0.000) 0.310 2.502 ( 1.182 -0.000 -0.000) 1.182 2.613 ( 0.022 -0.000 -0.000) 0.022 2.794 ( -2.687 0.000 0.000) 2.687 2.923 ( -5.234 0.000 0.000) 5.234 3.007 ( -2.116 0.000 0.000) 2.116 3.266 ( 2.732 -0.000 -0.000) 2.732 3.273 ( 0.992 -0.000 -0.000) 0.992 3.378 ( 1.580 -0.000 -0.000) 1.580 3.584 ( 11.695 -0.000 -0.000) 11.695 3.784 ( 7.602 -0.000 -0.000) 7.602 3.915 ( 0.763 -0.000 -0.000) 0.763 4.016 ( 0.338 -0.000 -0.000) 0.338 5.632 ( 0.932 -0.000 -0.000) 0.932 5.710 ( 1.598 -0.000 -0.000) 1.598 5.837 ( 1.116 -0.000 -0.000) 1.116 5.877 ( -1.617 0.000 0.000) 1.617 5.991 ( -1.699 0.000 0.000) 1.699 6.113 ( -0.528 0.000 0.000) 0.528 6.133 ( 5.090 -0.000 -0.000) 5.090 6.293 ( 5.138 -0.000 -0.000) 5.138 6.715 ( 0.956 -0.000 -0.000) 0.956 7.078 ( -0.156 0.000 0.000) 0.156 7.105 ( 0.041 -0.000 -0.000) 0.041 7.193 ( -1.538 0.000 0.000) 1.538 8.522 ( 3.842 -0.000 -0.000) 3.842 8.685 ( 0.156 -0.000 -0.000) 0.156 8.818 ( -0.614 0.000 0.000) 0.614 9.005 ( -0.767 0.000 0.000) 0.767 9.126 ( -0.686 0.000 0.000) 0.686 9.750 ( 4.614 -0.000 -0.000) 4.614 10.621 ( -1.692 0.000 0.000) 1.692 10.852 ( -0.878 0.000 0.000) 0.878 10.949 ( -0.244 0.000 0.000) 0.244 11.002 ( -3.809 0.000 0.000) 3.809 11.011 ( -1.823 0.000 0.000) 1.823 11.202 ( -1.416 0.000 0.000) 1.416 11.227 ( -1.726 0.000 0.000) 1.726 11.261 ( -2.469 0.000 0.000) 2.469 11.327 ( -2.736 0.000 0.000) 2.736 11.998 ( -2.239 0.000 0.000) 2.239 15.237 ( -1.053 0.000 0.000) 1.053 15.542 ( -1.100 0.000 0.000) 1.100 16.304 ( -4.174 0.000 0.000) 4.174 16.503 ( 2.601 -0.000 -0.000) 2.601 16.646 ( -4.822 0.000 0.000) 4.822 16.770 ( -3.167 0.000 0.000) 3.167 17.589 ( 8.768 -0.000 -0.000) 8.768 17.682 ( 13.002 -0.000 -0.000) 13.002======================= Grid point 34 (23/116) =======================q-point: ( 0.30 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.063 ( -0.000 11.850 8.729) 14.718 1.294 ( -0.000 19.369 0.032) 19.369 1.568 ( -0.000 0.474 0.910) 1.026 1.660 ( 0.000 4.757 -2.266) 5.269 1.748 ( 0.000 7.319 -2.235) 7.653 1.793 ( -0.000 5.430 1.191) 5.560 1.899 ( 0.000 5.820 -1.420) 5.991 1.903 ( -0.000 13.451 4.801) 14.282 2.032 ( 0.000 2.138 -1.835) 2.817 2.218 ( 0.000 4.910 -2.000) 5.302 2.282 ( 0.000 -3.429 -0.094) 3.431 2.375 ( -0.000 1.047 0.615) 1.214 2.529 ( -0.000 -2.014 0.979) 2.240 2.604 ( 0.000 -0.805 -0.147) 0.819 2.703 ( 0.000 1.194 -4.176) 4.344 2.834 ( 0.000 -0.416 -0.127) 0.435 2.979 ( -0.000 0.636 0.115) 0.647 3.189 ( 0.000 -0.728 -3.196) 3.278 3.299 ( -0.000 -0.709 0.254) 0.753 3.405 ( -0.000 -1.629 0.548) 1.719 3.772 ( 0.000 0.740 -5.677) 5.725 3.918 ( -0.000 -1.652 2.233) 2.777 3.923 ( -0.000 -7.677 8.595) 11.524 4.129 ( -0.000 -3.008 3.989) 4.997 5.597 ( 0.000 -1.475 -1.782) 2.313 5.702 ( 0.000 -0.659 -2.865) 2.940 5.855 ( -0.000 1.159 0.278) 1.192 5.882 ( -0.000 -0.862 0.174) 0.879 5.957 ( 0.000 2.319 -2.829) 3.658 6.051 ( 0.000 0.618 -0.064) 0.621 6.188 ( -0.000 1.914 -0.004) 1.914 6.300 ( 0.000 -7.730 -3.703) 8.571 6.714 ( -0.000 -3.961 0.745) 4.030 7.082 ( -0.000 -0.053 0.128) 0.139 7.106 ( 0.000 0.949 -0.206) 0.971 7.285 ( -0.000 -4.127 8.508) 9.456 8.520 ( 0.000 -4.487 -2.166) 4.982 8.620 ( 0.000 -2.218 -0.195) 2.227 8.865 ( -0.000 3.241 -0.003) 3.241 8.950 ( -0.000 -1.437 0.069) 1.439 9.272 ( -0.000 5.605 3.335) 6.522 9.749 ( 0.000 -5.074 -2.876) 5.832 10.595 ( 0.000 0.766 -0.159) 0.782 10.804 ( 0.000 0.917 -4.990) 5.073 10.823 ( 0.000 -0.460 -0.083) 0.468 10.979 ( -0.000 0.473 0.176) 0.504 11.067 ( -0.000 5.327 1.758) 5.609 11.178 ( 0.000 0.038 -0.015) 0.041 11.186 ( -0.000 2.477 3.188) 4.037 11.313 ( 0.000 5.312 -0.150) 5.314 11.440 ( -0.000 2.173 8.187) 8.470 11.922 ( 0.000 2.320 -4.049) 4.666 15.223 ( 0.000 1.411 -0.125) 1.416 15.535 ( -0.000 1.202 0.365) 1.256 16.228 ( -0.000 0.977 0.417) 1.062 16.413 ( 0.000 -2.657 -8.387) 8.798 16.503 ( 0.000 1.414 -0.629) 1.548 16.675 ( 0.000 5.569 -6.469) 8.536 17.675 ( -0.000 -9.103 4.654) 10.224 18.049 ( -0.000 -9.259 6.420) 11.267======================= Grid point 35 (24/116) =======================q-point: ( 0.40 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.230 ( 4.065 9.182 8.456) 13.128 1.529 ( 6.774 15.477 -0.339) 16.898 1.562 ( 0.091 -0.477 -0.009) 0.486 1.686 ( 0.970 0.969 -2.696) 3.025 1.791 ( 0.479 6.055 -3.843) 7.187 1.861 ( 1.907 3.233 1.017) 3.889 1.951 ( 0.908 3.568 -0.990) 3.813 2.046 ( 3.138 3.964 0.860) 5.128 2.087 ( 0.336 10.620 2.774) 10.982 2.255 ( 1.237 -3.928 -0.353) 4.133 2.266 ( 0.780 5.422 -2.201) 5.904 2.379 ( -1.430 2.179 0.237) 2.617 2.501 ( -1.454 -1.268 1.900) 2.708 2.605 ( 0.416 -0.114 -0.253) 0.500 2.708 ( 1.768 0.048 -4.506) 4.840 2.873 ( 4.744 0.946 -0.568) 4.870 2.988 ( 0.517 0.190 0.075) 0.556 3.147 ( -1.689 -3.035 -2.570) 4.321 3.291 ( -0.219 -0.495 0.292) 0.615 3.392 ( -0.107 -1.017 0.515) 1.145 3.761 ( -2.760 4.015 -1.988) 5.262 3.818 ( -5.865 -7.786 6.484) 11.707 3.930 ( 1.443 -1.720 2.152) 3.110 4.102 ( -1.577 -2.894 3.329) 4.684 5.582 ( 0.507 -1.359 -1.519) 2.100 5.677 ( -1.099 -0.605 -2.825) 3.091 5.868 ( -0.034 -0.291 2.130) 2.150 5.875 ( 0.102 0.709 -1.820) 1.956 5.968 ( 0.214 2.355 -1.948) 3.064 6.062 ( 0.304 -0.801 -0.073) 0.860 6.164 ( -2.753 -3.575 -0.304) 4.523 6.242 ( 1.473 -2.328 -0.959) 2.917 6.682 ( 0.300 -3.206 -0.541) 3.265 7.083 ( 0.070 0.127 0.007) 0.145 7.113 ( -0.181 0.714 0.158) 0.754 7.273 ( -0.410 -2.352 5.024) 5.562 8.473 ( -0.382 -3.083 -1.747) 3.564 8.624 ( 2.768 -2.104 -0.242) 3.485 8.868 ( -2.749 2.341 0.029) 3.611 8.954 ( 1.886 -1.161 0.044) 2.215 9.291 ( -4.471 4.306 2.981) 6.886 9.692 ( -0.685 -3.641 -2.337) 4.380 10.626 ( 2.443 1.324 0.740) 2.875 10.799 ( 0.979 -0.566 -3.536) 3.713 10.845 ( 2.652 0.481 -1.420) 3.046 10.982 ( -0.049 0.685 0.566) 0.890 11.116 ( -0.600 4.796 0.715) 4.886 11.174 ( -0.419 -0.181 -0.152) 0.481 11.247 ( 3.223 1.122 2.131) 4.023 11.349 ( -0.527 3.583 -0.251) 3.630 11.466 ( -3.103 3.048 8.743) 9.765 11.932 ( 1.045 0.928 -4.318) 4.538 15.237 ( 0.139 1.239 0.117) 1.252 15.549 ( 0.171 1.048 0.406) 1.137 16.279 ( 4.604 1.436 0.407) 4.840 16.363 ( 0.189 -2.657 -5.978) 6.545 16.555 ( 4.447 2.489 -1.554) 5.328 16.697 ( 0.276 2.550 -5.105) 5.713 17.578 ( -4.226 -7.363 3.678) 9.252 17.928 ( -6.961 -7.291 5.316) 11.396======================= Grid point 36 (25/116) =======================q-point: ( 0.50 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.397 ( 3.967 5.335 6.879) 9.566 1.535 ( -1.141 -1.167 -0.532) 1.717 1.700 ( 2.429 -0.144 -2.096) 3.211 1.796 ( 8.123 10.480 -1.584) 13.354 1.857 ( 2.020 4.914 -2.623) 5.925 1.908 ( 0.602 2.976 -0.834) 3.148 2.005 ( 2.876 1.625 1.568) 3.656 2.108 ( 2.100 -0.209 -1.068) 2.365 2.166 ( 0.099 3.517 1.618) 3.873 2.244 ( 1.852 -3.407 -0.797) 3.959 2.312 ( 0.095 0.197 -1.435) 1.452 2.399 ( -0.417 8.519 0.278) 8.534 2.496 ( -0.005 1.122 2.740) 2.961 2.608 ( -0.363 1.047 -0.232) 1.132 2.733 ( 3.438 -1.043 -3.266) 4.855 2.973 ( 3.212 2.192 -1.126) 4.048 3.005 ( 3.247 -0.822 -0.224) 3.357 3.075 ( -1.932 -3.365 -1.566) 4.184 3.296 ( 1.155 1.481 -0.910) 2.087 3.387 ( 0.163 -0.586 0.447) 0.755 3.636 ( -9.073 -7.645 5.832) 13.220 3.741 ( -5.960 5.451 2.060) 8.336 3.946 ( 1.256 -0.833 1.154) 1.898 4.042 ( -2.222 -4.217 0.420) 4.785 5.579 ( 1.024 -1.094 -0.992) 1.797 5.642 ( -1.260 -0.560 -2.103) 2.515 5.853 ( -1.365 -0.015 0.640) 1.507 5.891 ( 0.736 0.657 -0.560) 1.134 5.995 ( 0.153 -0.147 0.625) 0.660 6.016 ( -1.745 -1.473 -1.235) 2.596 6.114 ( 0.073 -1.979 -0.004) 1.980 6.257 ( 0.991 0.343 -0.215) 1.071 6.664 ( 0.834 -2.030 -1.046) 2.431 7.086 ( 0.045 0.461 -0.209) 0.509 7.113 ( -0.352 0.142 0.396) 0.549 7.262 ( -0.520 -1.111 2.287) 2.596 8.442 ( -0.058 -1.689 -1.117) 2.026 8.658 ( 3.153 -1.016 -0.392) 3.335 8.830 ( -3.202 0.330 0.057) 3.219 8.986 ( 2.905 -0.507 -0.015) 2.949 9.240 ( -6.147 2.004 2.400) 6.897 9.649 ( -0.315 -2.185 -1.566) 2.707 10.686 ( 1.275 2.356 2.313) 3.540 10.809 ( 3.039 -1.217 -3.541) 4.822 10.896 ( 2.897 1.328 -1.685) 3.605 10.999 ( 1.379 -0.170 0.806) 1.606 11.132 ( -1.704 3.090 -0.986) 3.663 11.172 ( -0.260 1.418 0.143) 1.449 11.294 ( 0.862 0.367 -0.424) 1.028 11.371 ( 0.748 0.076 2.074) 2.206 11.456 ( -4.913 3.364 6.419) 8.756 11.947 ( 2.295 -0.743 -3.139) 3.959 15.250 ( 0.154 0.809 0.258) 0.863 15.562 ( 0.195 0.663 0.369) 0.784 16.327 ( 0.905 -1.292 -5.053) 5.294 16.404 ( 6.614 2.370 2.873) 7.591 16.638 ( -0.223 4.410 -6.341) 7.727 16.742 ( 8.794 -0.862 0.402) 8.845 17.419 ( -8.329 -6.489 1.001) 10.606 17.748 ( -9.510 -4.724 4.994) 11.734======================= Grid point 37 (26/116) =======================q-point: ( 0.60 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.482 ( -0.648 0.636 1.432) 1.695 1.501 ( -0.544 0.216 0.727) 0.933 1.741 ( 2.611 -0.132 -0.628) 2.688 1.899 ( 1.600 0.928 -1.667) 2.491 1.951 ( -0.224 5.367 -0.207) 5.376 1.969 ( 5.036 3.182 -0.574) 5.985 2.036 ( -0.882 -2.241 -0.026) 2.409 2.128 ( 0.575 0.224 0.492) 0.789 2.194 ( 1.183 0.089 -0.272) 1.217 2.253 ( 1.115 0.648 0.542) 1.399 2.293 ( 0.678 -1.253 -1.354) 1.966 2.482 ( 0.498 4.676 0.910) 4.789 2.518 ( 0.221 0.867 0.543) 1.047 2.616 ( -0.187 1.413 0.634) 1.560 2.774 ( 3.728 -1.297 -1.580) 4.252 2.988 ( 0.428 -0.267 -0.213) 0.548 3.031 ( 1.008 -1.910 0.516) 2.221 3.055 ( 1.507 -0.304 -2.363) 2.819 3.355 ( -0.897 4.950 -3.809) 6.310 3.401 ( 0.930 2.734 -3.403) 4.463 3.451 ( -3.970 -6.372 9.052) 11.760 3.664 ( -8.865 0.614 4.474) 9.949 3.949 ( -1.169 -0.843 -0.229) 1.460 3.983 ( 0.874 -2.556 -1.365) 3.027 5.592 ( 2.004 -0.585 -0.307) 2.110 5.617 ( -0.609 -0.334 -0.954) 1.180 5.835 ( -1.144 0.313 0.155) 1.196 5.899 ( -0.004 -0.251 -0.163) 0.300 5.944 ( -1.485 -1.181 0.984) 2.137 6.047 ( 1.505 2.280 -0.670) 2.812 6.098 ( 0.010 -1.985 -0.108) 1.988 6.271 ( 0.297 0.424 -0.038) 0.519 6.664 ( 1.212 -0.881 -0.764) 1.682 7.091 ( -0.103 0.867 -0.299) 0.922 7.107 ( -0.327 -0.570 0.411) 0.775 7.250 ( -0.697 -0.434 0.613) 1.025 8.432 ( 0.508 -0.656 -0.497) 0.967 8.701 ( 1.351 2.269 -0.134) 2.644 8.780 ( -0.887 -3.129 -0.235) 3.261 9.034 ( 2.836 0.845 -0.463) 2.995 9.158 ( -5.227 -0.614 1.765) 5.551 9.633 ( 0.628 -0.914 -0.689) 1.305 10.708 ( -1.377 1.302 1.164) 2.224 10.852 ( 3.111 0.244 -1.338) 3.396 10.944 ( 1.826 1.263 -0.976) 2.426 11.008 ( 0.577 -1.692 -0.878) 1.991 11.150 ( 1.455 1.687 0.991) 2.439 11.177 ( -1.742 2.509 0.098) 3.056 11.291 ( -1.497 2.054 -1.186) 2.805 11.369 ( -0.389 -3.699 2.026) 4.235 11.421 ( -3.848 1.870 2.368) 4.889 11.973 ( 2.794 -1.136 -1.448) 3.346 15.258 ( 0.048 0.329 0.236) 0.408 15.569 ( 0.001 0.241 0.223) 0.328 16.329 ( 2.104 -0.644 -2.109) 3.048 16.529 ( -0.228 4.941 2.916) 5.742 16.627 ( 3.408 -0.845 -4.375) 5.609 16.943 ( 12.425 3.612 -0.998) 12.978 17.198 ( -10.306 -7.369 0.403) 12.676 17.588 ( -7.417 -2.036 3.170) 8.319======================= Grid point 38 (27/116) =======================q-point: (-0.30 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.417 ( -5.608 0.000 0.000) 5.608 1.523 ( 1.151 -0.000 -0.000) 1.151 1.758 ( -0.364 0.000 0.000) 0.364 1.924 ( 1.112 -0.000 -0.000) 1.112 1.964 ( -3.814 0.000 0.000) 3.814 1.971 ( -2.987 0.000 0.000) 2.987 2.025 ( -0.737 0.000 0.000) 0.737 2.124 ( 0.291 -0.000 -0.000) 0.291 2.195 ( -1.195 0.000 0.000) 1.195 2.263 ( 0.133 -0.000 -0.000) 0.133 2.326 ( 2.299 -0.000 -0.000) 2.299 2.475 ( -5.271 0.000 0.000) 5.271 2.504 ( -1.174 0.000 0.000) 1.174 2.623 ( -0.233 0.000 0.000) 0.233 2.814 ( 2.033 -0.000 -0.000) 2.033 2.995 ( 0.075 -0.000 -0.000) 0.075 3.077 ( 5.779 -0.000 -0.000) 5.779 3.097 ( 5.512 -0.000 -0.000) 5.512 3.246 ( -9.652 0.000 0.000) 9.652 3.373 ( -1.194 0.000 0.000) 1.194 3.514 ( -7.619 0.000 0.000) 7.619 3.565 ( 7.687 -0.000 -0.000) 7.687 3.921 ( -0.945 0.000 0.000) 0.945 3.993 ( 1.207 -0.000 -0.000) 1.207 5.611 ( 0.191 -0.000 -0.000) 0.191 5.631 ( 3.013 -0.000 -0.000) 3.013 5.824 ( -0.413 0.000 0.000) 0.413 5.900 ( 0.616 -0.000 -0.000) 0.616 5.936 ( 0.771 -0.000 -0.000) 0.771 6.067 ( -1.326 0.000 0.000) 1.326 6.093 ( 1.662 -0.000 -0.000) 1.662 6.273 ( -0.334 0.000 0.000) 0.334 6.679 ( 1.242 -0.000 -0.000) 1.242 7.092 ( -0.658 0.000 0.000) 0.658 7.101 ( 0.243 -0.000 -0.000) 0.243 7.235 ( -0.994 0.000 0.000) 0.994 8.443 ( 1.272 -0.000 -0.000) 1.272 8.712 ( -2.192 0.000 0.000) 2.192 8.776 ( 3.120 -0.000 -0.000) 3.120 9.076 ( -3.973 0.000 0.000) 3.973 9.090 ( 2.713 -0.000 -0.000) 2.713 9.647 ( 1.802 -0.000 -0.000) 1.802 10.685 ( -2.029 0.000 0.000) 2.029 10.880 ( -0.006 0.000 0.000) 0.006 10.960 ( -0.099 0.000 0.000) 0.099 11.013 ( 1.384 -0.000 -0.000) 1.384 11.137 ( -3.601 0.000 0.000) 3.601 11.203 ( 1.822 -0.000 -0.000) 1.822 11.292 ( -1.722 0.000 0.000) 1.722 11.315 ( -1.888 0.000 0.000) 1.888 11.385 ( -1.748 0.000 0.000) 1.748 12.004 ( 1.843 -0.000 -0.000) 1.843 15.259 ( -0.240 0.000 0.000) 0.240 15.567 ( -0.380 0.000 0.000) 0.380 16.369 ( 3.328 -0.000 -0.000) 3.328 16.481 ( -5.517 0.000 0.000) 5.517 16.727 ( 5.864 -0.000 -0.000) 5.864 16.947 ( -12.490 0.000 0.000) 12.490 17.209 ( 15.324 -0.000 -0.000) 15.324 17.497 ( -2.991 0.000 0.000) 2.991======================= Grid point 45 (28/116) =======================q-point: ( 0.40 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.309 ( -0.000 8.394 7.463) 11.231 1.548 ( 0.000 -1.802 -0.781) 1.964 1.619 ( 0.000 15.038 -0.410) 15.043 1.668 ( 0.000 -0.918 -3.167) 3.298 1.823 ( 0.000 4.477 -2.674) 5.215 1.875 ( -0.000 1.184 2.578) 2.837 1.984 ( 0.000 4.205 -1.724) 4.544 2.016 ( 0.000 -0.215 -1.818) 1.831 2.198 ( 0.000 -4.966 -0.363) 4.979 2.201 ( -0.000 7.278 3.720) 8.173 2.301 ( 0.000 3.581 -2.309) 4.261 2.430 ( -0.000 6.120 0.533) 6.143 2.522 ( -0.000 0.613 3.296) 3.353 2.591 ( 0.000 -0.476 -0.136) 0.495 2.677 ( 0.000 -0.288 -4.959) 4.967 2.827 ( 0.000 -0.157 -0.222) 0.272 2.988 ( -0.000 0.245 0.087) 0.260 3.120 ( 0.000 -4.040 -2.161) 4.581 3.289 ( -0.000 -0.447 0.418) 0.612 3.385 ( -0.000 -0.786 0.361) 0.865 3.799 ( -0.000 -4.656 4.878) 6.743 3.860 ( 0.000 5.231 -1.127) 5.351 3.901 ( -0.000 -1.248 1.163) 1.705 4.095 ( -0.000 -4.070 3.290) 5.233 5.563 ( 0.000 -0.933 -1.178) 1.502 5.674 ( 0.000 -0.372 -2.380) 2.409 5.869 ( -0.000 -0.954 1.764) 2.006 5.874 ( 0.000 1.083 -1.606) 1.937 5.981 ( 0.000 1.559 -1.155) 1.940 6.061 ( -0.000 0.359 0.055) 0.363 6.130 ( 0.000 -7.584 -0.910) 7.639 6.219 ( -0.000 1.267 0.099) 1.270 6.650 ( 0.000 -2.435 -0.699) 2.533 7.082 ( -0.000 -0.019 0.105) 0.107 7.123 ( -0.000 0.731 0.111) 0.739 7.272 ( -0.000 -1.564 3.285) 3.638 8.445 ( 0.000 -2.208 -1.243) 2.534 8.583 ( 0.000 -1.408 -0.172) 1.419 8.914 ( 0.000 1.886 -0.084) 1.887 8.927 ( -0.000 -0.901 0.073) 0.904 9.377 ( -0.000 3.283 1.964) 3.826 9.663 ( 0.000 -2.366 -1.537) 2.821 10.608 ( 0.000 0.636 -0.122) 0.648 10.786 ( 0.000 0.049 -2.760) 2.761 10.813 ( 0.000 -0.459 -0.048) 0.461 10.990 ( -0.000 0.446 0.104) 0.458 11.167 ( -0.000 4.240 0.597) 4.281 11.177 ( 0.000 -0.127 -0.004) 0.128 11.237 ( -0.000 0.456 3.151) 3.184 11.377 ( 0.000 2.326 -2.284) 3.259 11.552 ( -0.000 2.936 9.209) 9.666 11.916 ( 0.000 0.469 -5.335) 5.355 15.248 ( -0.000 1.043 0.240) 1.070 15.558 ( -0.000 0.861 0.350) 0.930 16.245 ( -0.000 0.601 0.252) 0.651 16.320 ( 0.000 -2.222 -4.574) 5.085 16.522 ( 0.000 0.892 -0.375) 0.967 16.708 ( 0.000 2.194 -4.610) 5.105 17.573 ( -0.000 -4.675 3.584) 5.891 17.940 ( -0.000 -5.351 3.177) 6.224======================= Grid point 46 (29/116) =======================q-point: ( 0.50 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.422 ( 2.145 5.789 6.229) 8.770 1.524 ( 0.169 -2.288 -2.030) 3.063 1.655 ( 1.067 -1.056 -2.464) 2.885 1.786 ( 4.570 10.562 -1.170) 11.568 1.858 ( 0.808 2.213 -1.107) 2.603 1.905 ( 3.110 -0.480 2.112) 3.790 1.990 ( -0.232 1.564 -1.261) 2.022 2.051 ( 3.073 -0.494 -0.504) 3.153 2.157 ( 0.416 -3.667 -0.357) 3.708 2.242 ( -1.219 2.144 1.093) 2.697 2.308 ( -0.130 -0.094 -1.478) 1.487 2.486 ( -0.807 5.354 1.594) 5.644 2.527 ( -1.270 1.789 0.991) 2.407 2.615 ( 1.736 1.340 1.490) 2.651 2.666 ( 1.228 -0.950 -3.877) 4.177 2.881 ( 6.230 0.357 -0.271) 6.246 2.990 ( 0.016 -0.005 0.071) 0.073 3.064 ( -1.435 -3.381 -1.290) 3.893 3.289 ( 0.312 0.065 0.150) 0.352 3.381 ( 0.056 -0.411 0.227) 0.473 3.715 ( -5.639 -4.316 2.955) 7.691 3.890 ( -2.452 5.908 0.932) 6.464 3.920 ( 0.614 1.772 -0.498) 1.940 4.038 ( -2.276 -5.919 1.417) 6.498 5.557 ( 0.426 -0.518 -0.610) 0.907 5.654 ( -1.174 -0.229 -1.312) 1.775 5.865 ( -0.205 -0.386 0.607) 0.748 5.883 ( 0.579 0.446 -0.523) 0.899 5.994 ( 0.506 1.103 -0.129) 1.220 6.030 ( -2.515 -2.334 -0.421) 3.457 6.088 ( 0.875 -1.652 -0.102) 1.872 6.240 ( 1.177 0.443 -0.004) 1.257 6.634 ( 0.467 -1.215 -0.541) 1.409 7.084 ( 0.239 0.030 0.016) 0.242 7.125 ( -0.430 0.343 0.117) 0.563 7.267 ( -0.313 -0.666 1.400) 1.581 8.427 ( -0.011 -1.010 -0.633) 1.192 8.594 ( 2.587 -0.820 -0.119) 2.716 8.899 ( -3.311 0.874 -0.055) 3.425 8.938 ( 1.998 -0.480 0.079) 2.056 9.362 ( -4.986 1.561 1.087) 5.337 9.636 ( -0.625 -1.129 -0.803) 1.520 10.655 ( 4.590 0.864 0.669) 4.719 10.767 ( -0.659 -0.631 -1.800) 2.018 10.844 ( 3.312 0.091 -0.398) 3.337 10.996 ( 0.236 0.382 0.254) 0.516 11.164 ( -1.199 0.049 -0.400) 1.264 11.202 ( -0.150 2.974 0.186) 2.984 11.259 ( 1.425 -1.033 1.344) 2.214 11.386 ( -0.061 1.026 -0.684) 1.235 11.574 ( -3.413 2.086 5.331) 6.665 11.907 ( 0.808 -0.296 -3.270) 3.381 15.257 ( -0.002 0.543 0.183) 0.573 15.566 ( 0.061 0.442 0.209) 0.493 16.292 ( 1.031 -0.091 -3.423) 3.576 16.306 ( 5.525 -0.508 1.504) 5.749 16.583 ( 6.509 1.046 -0.535) 6.614 16.696 ( -1.698 0.482 -2.309) 2.906 17.503 ( -5.582 -2.507 1.538) 6.309 17.856 ( -6.218 -2.710 1.919) 7.049======================= Grid point 47 (30/116) =======================q-point: (-0.40 -0.60 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.494 ( 0.600 -0.000 -0.000) 0.600 1.506 ( 0.133 -0.000 -0.000) 0.133 1.682 ( 3.501 -0.000 -0.000) 3.501 1.878 ( 1.161 -0.000 -0.000) 1.161 1.906 ( 4.435 -0.000 -0.000) 4.435 1.992 ( 4.132 -0.000 -0.000) 4.132 1.992 ( -0.167 0.000 0.000) 0.167 2.120 ( 6.425 -0.000 -0.000) 6.425 2.136 ( -0.464 0.000 0.000) 0.464 2.227 ( -1.170 0.000 0.000) 1.170 2.300 ( -0.411 0.000 0.000) 0.411 2.507 ( -0.152 0.000 0.000) 0.152 2.524 ( -0.339 0.000 0.000) 0.339 2.637 ( -0.884 0.000 0.000) 0.884 2.697 ( 4.204 -0.000 -0.000) 4.204 2.986 ( -0.432 0.000 0.000) 0.432 2.996 ( 5.917 -0.000 -0.000) 5.917 3.023 ( -0.803 0.000 0.000) 0.803 3.317 ( 3.677 -0.000 -0.000) 3.677 3.380 ( -0.083 0.000 0.000) 0.083 3.577 ( -8.989 0.000 0.000) 8.989 3.846 ( -9.087 0.000 0.000) 9.087 3.941 ( 1.700 -0.000 -0.000) 1.700 3.965 ( -1.396 0.000 0.000) 1.396 5.564 ( 1.023 -0.000 -0.000) 1.023 5.629 ( -1.257 0.000 0.000) 1.257 5.855 ( -1.015 0.000 0.000) 1.015 5.894 ( 0.503 -0.000 -0.000) 0.503 5.972 ( -2.530 0.000 0.000) 2.530 6.024 ( 1.983 -0.000 -0.000) 1.983 6.089 ( 0.087 -0.000 -0.000) 0.087 6.261 ( 1.087 -0.000 -0.000) 1.087 6.640 ( 0.982 -0.000 -0.000) 0.982 7.090 ( 0.378 -0.000 -0.000) 0.378 7.116 ( -0.736 0.000 0.000) 0.736 7.259 ( -0.528 0.000 0.000) 0.528 8.422 ( 0.187 -0.000 -0.000) 0.187 8.646 ( 4.061 -0.000 -0.000) 4.061 8.834 ( -4.698 0.000 0.000) 4.698 8.980 ( 3.302 -0.000 -0.000) 3.302 9.268 ( -7.059 0.000 0.000) 7.059 9.623 ( -0.131 0.000 0.000) 0.131 10.740 ( -1.299 0.000 0.000) 1.299 10.761 ( 6.492 -0.000 -0.000) 6.492 10.905 ( 3.718 -0.000 -0.000) 3.718 10.999 ( -0.204 0.000 0.000) 0.204 11.147 ( -0.411 0.000 0.000) 0.411 11.214 ( -0.678 0.000 0.000) 0.678 11.276 ( 1.658 -0.000 -0.000) 1.658 11.382 ( -1.206 0.000 0.000) 1.206 11.518 ( -5.291 0.000 0.000) 5.291 11.923 ( 2.108 -0.000 -0.000) 2.108 15.260 ( 0.042 -0.000 -0.000) 0.042 15.570 ( 0.084 -0.000 -0.000) 0.084 16.296 ( 1.100 -0.000 -0.000) 1.100 16.444 ( 9.678 -0.000 -0.000) 9.678 16.646 ( -3.865 0.000 0.000) 3.865 16.743 ( 11.969 -0.000 -0.000) 11.969 17.358 ( -10.627 0.000 0.000) 10.627 17.719 ( -8.808 0.000 0.000) 8.808======================= Grid point 58 (31/116) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.465 ( -0.000 0.000 0.000) 0.000 1.485 ( 0.000 -0.000 -0.000) 0.000 1.637 ( 0.000 0.000 -0.000) 0.000 1.826 ( -0.000 -0.000 0.000) 0.000 1.842 ( 0.000 0.000 -0.000) 0.000 1.864 ( -0.000 0.000 0.000) 0.000 2.001 ( -0.000 0.000 0.000) 0.000 2.025 ( -0.000 -0.000 0.000) 0.000 2.132 ( -0.000 0.000 0.000) 0.000 2.270 ( -0.000 0.000 0.000) 0.000 2.304 ( 0.000 0.000 -0.000) 0.000 2.523 ( -0.000 -0.000 0.000) 0.000 2.561 ( 0.000 0.000 -0.000) 0.000 2.586 ( -0.000 0.000 0.000) 0.000 2.658 ( -0.000 0.000 0.000) 0.000 2.825 ( -0.000 0.000 0.000) 0.000 2.990 ( -0.000 0.000 0.000) 0.000 3.056 ( -0.000 0.000 0.000) 0.000 3.287 ( -0.000 0.000 0.000) 0.000 3.379 ( -0.000 0.000 0.000) 0.000 3.749 ( -0.000 0.000 0.000) 0.000 3.892 ( -0.000 0.000 0.000) 0.000 3.991 ( 0.000 0.000 -0.000) 0.000 4.010 ( -0.000 -0.000 0.000) 0.000 5.550 ( -0.000 0.000 0.000) 0.000 5.661 ( -0.000 0.000 0.000) 0.000 5.864 ( -0.000 0.000 0.000) 0.000 5.879 ( -0.000 0.000 0.000) 0.000 5.996 ( -0.000 0.000 0.000) 0.000 6.046 ( -0.000 0.000 0.000) 0.000 6.065 ( -0.000 0.000 0.000) 0.000 6.232 ( -0.000 0.000 0.000) 0.000 6.624 ( -0.000 0.000 0.000) 0.000 7.082 ( -0.000 0.000 0.000) 0.000 7.130 ( -0.000 0.000 0.000) 0.000 7.269 ( -0.000 0.000 0.000) 0.000 8.421 ( -0.000 0.000 0.000) 0.000 8.569 ( -0.000 0.000 0.000) 0.000 8.919 ( -0.000 0.000 0.000) 0.000 8.932 ( -0.000 0.000 0.000) 0.000 9.414 ( -0.000 0.000 0.000) 0.000 9.637 ( -0.000 0.000 0.000) 0.000 10.614 ( -0.000 0.000 0.000) 0.000 10.776 ( -0.000 0.000 0.000) 0.000 10.808 ( -0.000 0.000 0.000) 0.000 10.995 ( -0.000 0.000 0.000) 0.000 11.175 ( -0.000 0.000 0.000) 0.000 11.217 ( -0.000 0.000 0.000) 0.000 11.247 ( -0.000 0.000 0.000) 0.000 11.387 ( -0.000 0.000 0.000) 0.000 11.624 ( -0.000 0.000 0.000) 0.000 11.893 ( 0.000 0.000 -0.000) 0.000 15.260 ( -0.000 0.000 -0.000) 0.000 15.568 ( -0.000 0.000 0.000) 0.000 16.252 ( 0.000 0.000 -0.000) 0.000 16.281 ( -0.000 0.000 0.000) 0.000 16.530 ( -0.000 0.000 0.000) 0.000 16.711 ( -0.000 0.000 0.000) 0.000 17.542 ( 0.000 0.000 -0.000) 0.000 17.899 ( -0.000 0.000 0.000) 0.000======================= Grid point 116 (32/116) =======================q-point: ( 0.10 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.189 ( -0.000 0.000 19.134) 19.134 0.189 ( -0.000 0.000 19.134) 19.134 0.340 ( -0.000 0.000 34.845) 34.845 1.497 ( 0.000 -0.000 -9.831) 9.831 1.497 ( 0.000 -0.000 -9.831) 9.831 1.662 ( -0.000 0.000 1.180) 1.180 1.706 ( -0.000 0.000 6.368) 6.368 1.706 ( -0.000 0.000 6.368) 6.368 1.932 ( 0.000 -0.000 -1.091) 1.091 2.215 ( 0.000 -0.000 -2.552) 2.552 2.347 ( 0.000 -0.000 -0.108) 0.108 2.347 ( 0.000 -0.000 -0.108) 0.108 2.639 ( 0.000 -0.000 -0.339) 0.339 2.639 ( 0.000 -0.000 -0.339) 0.339 2.892 ( 0.000 -0.000 -0.594) 0.594 2.892 ( 0.000 -0.000 -0.594) 0.594 2.909 ( -0.000 0.000 0.532) 0.532 3.318 ( 0.000 -0.000 -0.124) 0.124 3.321 ( 0.000 -0.000 -1.791) 1.791 3.482 ( -0.000 0.000 0.184) 0.184 3.482 ( -0.000 0.000 0.184) 0.184 3.951 ( -0.000 0.000 2.971) 2.971 3.951 ( -0.000 0.000 2.971) 2.971 4.342 ( 0.000 -0.000 -5.693) 5.693 5.677 ( 0.000 -0.000 -0.086) 0.086 5.677 ( 0.000 -0.000 -0.086) 0.086 5.795 ( -0.000 0.000 0.127) 0.127 5.895 ( 0.000 -0.000 -4.129) 4.129 5.895 ( 0.000 -0.000 -4.129) 4.129 6.044 ( -0.000 0.000 3.178) 3.178 6.044 ( -0.000 0.000 3.178) 3.178 6.118 ( 0.000 -0.000 -0.157) 0.157 6.801 ( -0.000 0.000 10.435) 10.435 7.081 ( 0.000 -0.000 -0.505) 0.505 7.081 ( 0.000 -0.000 -0.505) 0.505 8.288 ( 0.000 -0.000 -7.007) 7.007 8.710 ( -0.000 0.000 0.109) 0.109 8.710 ( -0.000 0.000 0.109) 0.109 8.812 ( -0.000 0.000 3.157) 3.157 9.009 ( -0.000 0.000 0.098) 0.098 9.009 ( -0.000 0.000 0.098) 0.098 10.098 ( 0.000 -0.000 -1.381) 1.381 10.576 ( 0.000 -0.000 -0.027) 0.027 10.576 ( 0.000 -0.000 -0.027) 0.027 10.831 ( 0.000 -0.000 -0.145) 0.145 10.831 ( 0.000 -0.000 -0.145) 0.145 10.970 ( -0.000 0.000 0.109) 0.109 10.970 ( -0.000 0.000 0.109) 0.109 11.149 ( -0.000 0.000 1.219) 1.219 11.165 ( 0.000 -0.000 -0.135) 0.135 11.165 ( 0.000 -0.000 -0.135) 0.135 11.968 ( 0.000 -0.000 -0.611) 0.611 15.181 ( 0.000 -0.000 -0.692) 0.692 15.496 ( -0.000 0.000 0.412) 0.412 16.188 ( -0.000 0.000 1.410) 1.410 16.188 ( -0.000 0.000 1.410) 1.410 16.448 ( 0.000 -0.000 -1.525) 1.525 16.448 ( 0.000 -0.000 -1.525) 1.525 17.935 ( -0.000 0.000 5.257) 5.257 18.691 ( 0.000 -0.000 -4.320) 4.320======================= Grid point 117 (33/116) =======================q-point: ( 0.20 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.501 ( 17.962 10.370 7.962) 22.217 0.595 ( 19.630 11.333 11.741) 25.527 0.662 ( 16.898 9.756 21.416) 28.972 1.454 ( 1.711 0.988 -10.563) 10.746 1.567 ( 6.340 3.660 -7.535) 10.505 1.657 ( -0.793 -0.458 1.269) 1.565 1.737 ( 2.370 1.368 3.730) 4.626 1.787 ( 3.847 2.221 5.009) 6.695 1.871 ( -1.511 -0.872 2.556) 3.095 2.192 ( -0.479 -0.277 -3.567) 3.610 2.341 ( -0.444 -0.256 -0.198) 0.549 2.352 ( 0.349 0.202 -0.028) 0.404 2.623 ( -3.526 -2.036 3.702) 5.503 2.628 ( -0.705 -0.407 -0.566) 0.992 2.684 ( -1.605 -0.927 4.578) 4.939 2.865 ( -1.424 -0.822 -0.365) 1.684 2.935 ( 1.359 0.785 0.240) 1.587 3.153 ( 1.446 0.835 1.041) 1.968 3.315 ( -0.204 -0.118 -0.139) 0.273 3.468 ( -1.255 -0.725 0.194) 1.462 3.903 ( 4.008 2.314 -14.187) 14.923 3.961 ( -0.302 -0.174 3.566) 3.583 3.987 ( 0.839 0.484 -0.075) 0.972 4.260 ( -5.156 -2.977 -1.784) 6.215 5.679 ( -0.182 -0.105 0.377) 0.432 5.735 ( 1.219 0.704 -3.318) 3.604 5.805 ( 0.784 0.453 0.202) 0.927 5.840 ( -1.973 -1.139 -4.784) 5.299 5.912 ( 1.265 0.730 -2.896) 3.243 6.084 ( 1.237 0.714 3.163) 3.471 6.127 ( 0.964 0.556 -0.086) 1.116 6.305 ( 11.416 6.591 -21.539) 25.253 6.823 ( -1.354 -0.781 10.352) 10.469 7.074 ( -0.303 -0.175 -0.867) 0.935 7.092 ( 0.847 0.489 -0.378) 1.049 7.651 ( -23.853 -13.772 31.562) 41.890 8.698 ( -1.080 -0.624 0.107) 1.252 8.741 ( 0.143 0.082 -0.716) 0.734 8.755 ( -1.168 -0.674 0.983) 1.669 9.003 ( -0.663 -0.383 0.261) 0.809 9.031 ( 1.719 0.992 0.686) 2.100 10.018 ( -5.253 -3.033 -2.521) 6.569 10.577 ( 0.180 0.104 -0.005) 0.208 10.756 ( 6.524 3.767 -6.993) 10.279 10.830 ( -0.023 -0.013 -0.154) 0.156 10.881 ( 3.521 2.033 0.780) 4.140 10.969 ( -0.056 -0.032 0.059) 0.088 11.078 ( 7.092 4.095 -2.907) 8.690 11.105 ( -1.125 -0.650 0.571) 1.419 11.167 ( 0.247 0.143 -0.219) 0.360 11.227 ( 0.726 0.419 3.864) 3.954 11.895 ( -0.824 -0.476 3.436) 3.565 15.184 ( 0.503 0.290 -0.689) 0.901 15.499 ( 0.327 0.189 0.301) 0.483 16.211 ( 1.130 0.652 2.279) 2.626 16.441 ( 0.191 0.110 -2.377) 2.387 16.444 ( 8.769 5.063 -12.024) 15.720 16.510 ( 4.378 2.528 -7.381) 8.947 17.959 ( -1.575 -0.909 -2.628) 3.196 18.406 ( -14.899 -8.602 14.599) 22.563======================= Grid point 118 (34/116) =======================q-point: ( 0.30 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.882 ( 14.137 8.162 11.639) 20.049 1.052 ( 18.849 10.882 8.900) 23.514 1.135 ( 20.779 11.997 7.218) 25.056 1.499 ( 5.235 3.023 -8.826) 10.698 1.634 ( -0.868 -0.501 0.039) 1.003 1.684 ( 4.101 2.367 -1.499) 4.967 1.820 ( 5.030 2.904 -3.116) 6.591 1.893 ( 4.429 2.557 2.591) 5.733 1.894 ( 2.761 1.594 2.852) 4.277 2.189 ( 1.722 0.994 -3.384) 3.925 2.325 ( -1.125 -0.649 -0.097) 1.302 2.359 ( 0.260 0.150 -0.026) 0.301 2.565 ( -2.513 -1.451 3.051) 4.211 2.606 ( -1.139 -0.658 -0.684) 1.483 2.715 ( 2.515 1.452 0.051) 2.904 2.834 ( -1.205 -0.695 -0.406) 1.449 2.963 ( 1.105 0.638 0.219) 1.294 3.212 ( 3.421 1.975 -1.738) 4.316 3.306 ( -0.651 -0.376 -0.159) 0.768 3.433 ( -1.942 -1.121 0.204) 2.252 3.852 ( -3.940 -2.275 -12.759) 13.546 3.951 ( -4.402 -2.541 6.590) 8.322 3.962 ( -0.626 -0.361 3.408) 3.484 4.139 ( -4.878 -2.816 2.144) 6.027 5.672 ( -0.549 -0.317 0.161) 0.654 5.736 ( 0.065 0.038 -2.577) 2.578 5.781 ( -1.912 -1.104 -3.694) 4.303 5.831 ( 1.333 0.770 0.215) 1.554 5.939 ( 1.933 1.116 -2.653) 3.467 6.112 ( 0.649 0.375 1.913) 2.054 6.159 ( 1.747 1.009 0.383) 2.053 6.346 ( -0.963 -0.556 -12.522) 12.572 6.811 ( -2.191 -1.265 6.497) 6.972 7.064 ( -0.325 -0.188 -0.916) 0.990 7.109 ( 0.683 0.395 -0.204) 0.815 7.402 ( -9.317 -5.379 17.130) 20.228 8.650 ( -4.575 -2.642 -1.693) 5.548 8.666 ( -1.778 -1.026 -0.015) 2.053 8.826 ( 3.925 2.266 0.998) 4.641 8.983 ( -1.163 -0.672 0.394) 1.400 9.086 ( 2.932 1.693 0.978) 3.523 9.890 ( -5.216 -3.012 -2.750) 6.622 10.584 ( 0.441 0.255 -0.004) 0.509 10.828 ( -0.179 -0.103 -0.074) 0.219 10.843 ( 3.857 2.227 -5.341) 6.954 10.969 ( 0.152 0.088 0.010) 0.176 10.973 ( 4.358 2.516 0.304) 5.041 11.095 ( -0.229 -0.132 1.319) 1.345 11.172 ( 0.215 0.124 -0.255) 0.356 11.209 ( 1.374 0.793 4.455) 4.729 11.268 ( 5.565 3.213 1.547) 6.609 11.932 ( 2.951 1.704 0.487) 3.442 15.197 ( 0.895 0.517 -0.492) 1.145 15.513 ( 0.770 0.445 0.305) 0.940 16.249 ( 1.584 0.915 2.576) 3.160 16.440 ( 0.539 0.311 -2.682) 2.753 16.503 ( 1.297 0.749 -12.327) 12.417 16.631 ( 8.312 4.799 -0.967) 9.646 17.857 ( -6.096 -3.519 -3.807) 8.002 18.134 ( -14.808 -8.549 12.562) 21.217======================= Grid point 119 (35/116) =======================q-point: ( 0.40 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.188 ( 10.330 5.964 10.777) 16.075 1.461 ( 16.119 9.306 6.521) 19.722 1.525 ( 7.227 4.173 1.077) 8.415 1.609 ( 6.760 3.903 -5.630) 9.624 1.661 ( 9.367 5.408 -1.073) 10.869 1.736 ( 1.652 0.954 0.586) 1.996 1.901 ( 2.834 1.636 -5.349) 6.271 1.984 ( 3.173 1.832 0.328) 3.678 2.000 ( 5.543 3.200 3.100) 7.112 2.257 ( 5.128 2.961 -2.168) 6.306 2.287 ( -2.517 -1.453 -0.015) 2.906 2.365 ( 0.437 0.252 0.089) 0.512 2.532 ( -1.277 -0.737 1.930) 2.428 2.578 ( -1.131 -0.653 -0.563) 1.422 2.784 ( 3.924 2.266 -0.646) 4.577 2.811 ( -0.791 -0.456 -0.261) 0.949 2.983 ( 0.679 0.392 0.165) 0.801 3.263 ( 1.545 0.892 -5.954) 6.216 3.283 ( -1.449 -0.836 -0.195) 1.684 3.394 ( -1.466 -0.846 0.300) 1.719 3.706 ( -5.002 -2.888 -6.476) 8.678 3.809 ( -10.749 -6.206 9.048) 15.360 3.957 ( -0.795 -0.459 2.327) 2.501 4.098 ( -0.242 -0.139 3.035) 3.048 5.657 ( -0.652 -0.376 -1.072) 1.309 5.728 ( 0.120 0.069 -2.981) 2.984 5.735 ( -1.404 -0.811 -1.325) 2.094 5.862 ( 1.346 0.777 0.388) 1.602 5.974 ( 1.927 1.112 -2.044) 3.021 6.128 ( 0.340 0.196 0.947) 1.025 6.198 ( 1.594 0.920 0.332) 1.870 6.221 ( -6.962 -4.020 -4.792) 9.359 6.779 ( -1.945 -1.123 2.199) 3.143 7.055 ( -0.218 -0.126 -0.626) 0.675 7.118 ( 0.242 0.140 -0.072) 0.288 7.309 ( -3.782 -2.183 8.154) 9.250 8.555 ( -3.349 -1.933 -1.671) 4.212 8.626 ( -1.778 -1.026 -0.166) 2.059 8.914 ( 3.767 2.175 0.466) 4.374 8.958 ( -1.262 -0.729 0.399) 1.511 9.156 ( 2.852 1.646 1.636) 3.677 9.785 ( -3.578 -2.066 -2.427) 4.792 10.596 ( 0.668 0.385 -0.007) 0.771 10.821 ( -0.392 -0.226 0.067) 0.457 10.899 ( 3.033 1.751 -5.609) 6.613 10.976 ( 0.403 0.233 -0.047) 0.467 11.054 ( 3.017 1.742 -1.353) 3.737 11.100 ( -0.147 -0.085 3.888) 3.892 11.173 ( -0.006 -0.004 -0.214) 0.214 11.212 ( -1.270 -0.733 6.590) 6.751 11.424 ( 6.548 3.780 1.089) 7.639 12.007 ( 3.667 2.117 -1.017) 4.355 15.217 ( 0.966 0.558 -0.140) 1.124 15.533 ( 0.927 0.535 0.413) 1.147 16.291 ( 1.395 0.805 1.740) 2.371 16.446 ( 0.738 0.426 -1.875) 2.060 16.474 ( -0.106 -0.061 -9.382) 9.383 16.821 ( 9.159 5.288 -0.924) 10.616 17.691 ( -7.491 -4.325 -4.536) 9.767 17.856 ( -13.939 -8.048 11.523) 19.795======================= Grid point 120 (36/116) =======================q-point: ( 0.50 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.393 ( 5.712 3.298 7.191) 9.757 1.520 ( -2.641 -1.525 -0.737) 3.137 1.730 ( 5.901 3.407 -3.167) 7.514 1.761 ( 1.335 0.771 -0.121) 1.546 1.792 ( 11.608 6.702 4.746) 14.219 1.907 ( 1.895 1.094 -3.925) 4.494 1.957 ( 9.415 5.436 -3.255) 11.349 2.023 ( 0.384 0.222 -1.142) 1.226 2.127 ( 4.736 2.735 2.802) 6.145 2.209 ( -4.479 -2.586 -0.400) 5.187 2.345 ( 2.360 1.363 -0.875) 2.863 2.403 ( 3.309 1.911 0.336) 3.836 2.525 ( 0.147 0.085 1.462) 1.472 2.558 ( -0.500 -0.289 -0.015) 0.578 2.800 ( -0.234 -0.135 0.336) 0.431 2.885 ( 5.766 3.329 -1.660) 6.861 2.993 ( 0.252 0.146 0.035) 0.293 3.215 ( -3.181 -1.837 -7.914) 8.725 3.249 ( -1.335 -0.771 0.025) 1.542 3.374 ( -0.616 -0.356 0.342) 0.789 3.557 ( -10.165 -5.869 0.227) 11.740 3.668 ( -1.950 -1.126 10.481) 10.721 3.943 ( -0.860 -0.496 0.449) 1.090 4.112 ( 0.175 0.101 1.178) 1.195 5.639 ( -0.392 -0.226 -2.441) 2.482 5.715 ( -0.532 -0.307 1.571) 1.687 5.727 ( 0.905 0.523 -3.291) 3.452 5.888 ( 0.813 0.469 0.447) 1.040 6.005 ( 1.374 0.793 -1.215) 1.998 6.054 ( -6.604 -3.813 0.019) 7.626 6.133 ( 0.022 0.013 0.036) 0.044 6.226 ( 0.899 0.519 0.093) 1.042 6.747 ( -1.084 -0.626 -0.924) 1.556 7.051 ( -0.028 -0.016 -0.112) 0.116 7.121 ( 0.054 0.031 0.124) 0.139 7.272 ( -1.697 -0.980 3.098) 3.666 8.498 ( -1.458 -0.842 -1.431) 2.209 8.593 ( -1.079 -0.623 -0.271) 1.275 8.935 ( -0.870 -0.502 0.255) 1.036 8.981 ( 2.191 1.265 -0.849) 2.669 9.214 ( 1.735 1.002 2.925) 3.546 9.720 ( -1.695 -0.979 -1.901) 2.728 10.611 ( 0.568 0.328 0.007) 0.656 10.813 ( -0.388 -0.224 0.177) 0.482 10.936 ( 2.224 1.284 -6.624) 7.104 10.985 ( 0.382 0.220 -0.085) 0.449 11.094 ( 1.410 0.814 -2.030) 2.602 11.110 ( -0.615 -0.355 5.906) 5.948 11.171 ( -0.104 -0.060 -0.098) 0.155 11.212 ( -0.879 -0.508 7.643) 7.710 11.535 ( 3.309 1.910 0.042) 3.821 12.071 ( 2.516 1.452 -1.963) 3.506 15.236 ( 0.678 0.392 0.342) 0.855 15.552 ( 0.603 0.348 0.492) 0.853 16.315 ( 0.491 0.283 -0.462) 0.731 16.448 ( 0.471 0.272 -6.900) 6.922 16.461 ( 0.838 0.484 0.285) 1.009 17.009 ( 8.306 4.795 -3.471) 10.200 17.508 ( -7.869 -4.543 -4.307) 10.055 17.640 ( -8.658 -4.999 12.060) 15.665======================= Grid point 121 (37/116) =======================q-point: (-0.40 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.433 ( -5.105 -2.947 -2.243) 6.307 1.496 ( 2.532 1.462 3.289) 4.401 1.774 ( -0.439 -0.253 0.011) 0.507 1.806 ( 1.285 0.742 0.056) 1.485 1.915 ( 1.157 0.668 -3.694) 3.928 1.946 ( -5.654 -3.265 -2.262) 6.910 2.005 ( 3.589 2.072 1.018) 4.267 2.070 ( 1.533 0.885 -1.805) 2.528 2.139 ( 0.368 0.213 -0.123) 0.442 2.188 ( -0.586 -0.339 1.688) 1.819 2.370 ( -0.057 -0.033 -0.309) 0.316 2.446 ( -0.117 -0.068 -0.883) 0.893 2.546 ( 0.226 0.131 2.822) 2.834 2.557 ( 0.253 0.146 0.711) 0.769 2.803 ( 0.230 0.133 1.128) 1.159 2.972 ( -0.083 -0.048 -6.711) 6.712 2.995 ( -0.044 -0.025 -0.119) 0.129 3.165 ( 4.153 2.398 -2.348) 5.339 3.236 ( 0.134 0.078 0.534) 0.556 3.367 ( -0.094 -0.054 0.256) 0.278 3.395 ( -3.387 -1.955 4.233) 5.763 3.693 ( -0.010 -0.006 10.443) 10.443 3.924 ( -0.715 -0.413 -1.461) 1.678 4.096 ( -1.434 -0.828 -2.498) 2.997 5.628 ( 0.168 0.097 -2.658) 2.665 5.722 ( 0.481 0.278 3.361) 3.407 5.744 ( 1.225 0.707 -2.474) 2.850 5.898 ( -0.068 -0.040 0.433) 0.440 5.977 ( 0.075 0.043 1.967) 1.969 6.024 ( 0.662 0.382 0.039) 0.765 6.129 ( -0.299 -0.173 -0.930) 0.992 6.235 ( -0.091 -0.053 -0.117) 0.158 6.727 ( -0.210 -0.121 -2.589) 2.600 7.053 ( 0.172 0.099 0.423) 0.467 7.122 ( -0.062 -0.036 0.217) 0.228 7.247 ( -1.244 -0.718 0.227) 1.454 8.481 ( 0.259 0.149 -1.301) 1.335 8.580 ( 0.038 0.022 -0.310) 0.313 8.924 ( -0.107 -0.062 0.040) 0.130 8.997 ( -0.292 -0.168 -2.156) 2.182 9.246 ( -0.036 -0.021 4.253) 4.253 9.700 ( 0.371 0.214 -1.529) 1.588 10.618 ( 0.016 0.009 0.034) 0.038 10.808 ( -0.011 -0.006 0.205) 0.206 10.953 ( 1.577 0.911 -7.136) 7.365 10.989 ( 0.008 0.004 -0.077) 0.078 11.098 ( -1.413 -0.816 2.921) 3.345 11.115 ( -0.113 -0.065 2.351) 2.354 11.170 ( 0.055 0.032 0.042) 0.076 11.223 ( -0.587 -0.339 8.120) 8.148 11.562 ( -0.544 -0.314 -1.824) 1.930 12.096 ( 0.317 0.183 -2.330) 2.359 15.247 ( 0.102 0.059 0.718) 0.727 15.560 ( -0.083 -0.048 0.439) 0.450 16.309 ( -0.549 -0.317 -2.260) 2.347 16.457 ( 2.127 1.228 -4.468) 5.099 16.481 ( 0.562 0.324 2.047) 2.147 17.104 ( 0.218 0.126 -9.548) 9.551 17.377 ( -1.092 -0.630 0.185) 1.274 17.578 ( -0.710 -0.410 11.753) 11.782======================= Grid point 122 (38/116) =======================q-point: (-0.30 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.272 ( -8.875 -5.124 -3.783) 10.924 1.543 ( 1.303 0.752 1.124) 1.878 1.700 ( -13.425 -7.751 -4.176) 16.054 1.749 ( -1.462 -0.844 -1.075) 2.001 1.792 ( -3.227 -1.863 2.963) 4.761 1.917 ( -1.375 -0.794 -2.551) 3.005 2.024 ( -6.331 -3.655 1.910) 7.555 2.027 ( -1.451 -0.838 -0.708) 1.819 2.108 ( -5.781 -3.338 1.310) 6.803 2.211 ( 4.153 2.398 -0.263) 4.803 2.345 ( -2.029 -1.172 -0.430) 2.383 2.396 ( -3.316 -1.915 -0.187) 3.834 2.536 ( -0.821 -0.474 0.713) 1.186 2.572 ( 0.801 0.463 1.126) 1.457 2.814 ( 0.381 0.220 1.324) 1.395 2.873 ( -4.552 -2.628 -3.707) 6.432 2.991 ( -0.297 -0.171 -0.193) 0.393 3.257 ( 1.398 0.807 0.821) 1.811 3.325 ( 7.294 4.211 -13.520) 15.929 3.372 ( 0.512 0.296 0.210) 0.628 3.446 ( 5.451 3.147 14.744) 16.032 3.742 ( 2.455 1.417 9.133) 9.563 3.906 ( -0.200 -0.115 -2.291) 2.303 4.049 ( -1.409 -0.814 -3.755) 4.092 5.628 ( 0.646 0.373 -2.367) 2.482 5.750 ( 0.033 0.019 -1.229) 1.230 5.757 ( 1.422 0.821 4.248) 4.554 5.888 ( -0.920 -0.531 0.408) 1.138 6.013 ( -0.086 -0.049 -0.227) 0.248 6.102 ( 8.194 4.731 3.287) 10.017 6.114 ( -0.597 -0.345 -1.841) 1.966 6.222 ( -1.058 -0.611 -0.268) 1.251 6.720 ( 0.390 0.225 -2.991) 3.024 7.060 ( 0.310 0.179 0.772) 0.851 7.119 ( -0.220 -0.127 -0.014) 0.254 7.217 ( -1.336 -0.771 -1.372) 2.065 8.501 ( 2.046 1.181 -1.199) 2.649 8.593 ( 1.139 0.657 -0.297) 1.348 8.931 ( 0.699 0.404 -0.135) 0.819 8.958 ( -2.454 -1.417 -2.423) 3.728 9.237 ( -2.168 -1.252 4.621) 5.255 9.726 ( 2.518 1.454 -1.379) 3.218 10.611 ( -0.558 -0.322 0.031) 0.645 10.814 ( 0.390 0.225 0.185) 0.487 10.957 ( 0.895 0.517 -7.240) 7.314 10.985 ( -0.370 -0.214 -0.022) 0.428 11.063 ( -2.835 -1.637 4.283) 5.391 11.113 ( -0.698 -0.403 2.073) 2.224 11.173 ( 0.188 0.109 0.131) 0.254 11.236 ( -0.858 -0.495 7.744) 7.807 11.505 ( -3.781 -2.183 -2.933) 5.260 12.068 ( -2.090 -1.207 -2.390) 3.397 15.244 ( -0.576 -0.333 0.665) 0.941 15.551 ( -0.736 -0.425 0.275) 0.894 16.280 ( -1.230 -0.710 -2.600) 2.962 16.494 ( -0.069 -0.040 2.370) 2.372 16.507 ( 3.415 1.972 -2.775) 4.822 16.978 ( -7.034 -4.061 -6.265) 10.257 17.454 ( 7.115 4.108 -4.524) 9.379 17.678 ( 5.432 3.136 12.088) 13.619======================= Grid point 123 (39/116) =======================q-point: (-0.20 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.024 ( -12.585 -7.266 -3.962) 15.062 1.345 ( -17.504 -10.106 -4.569) 20.722 1.543 ( -5.054 -2.918 1.583) 6.047 1.676 ( -7.926 -4.576 0.210) 9.155 1.721 ( -4.261 -2.460 5.002) 7.016 1.742 ( -7.262 -4.193 1.494) 8.518 1.905 ( -3.556 -2.053 -3.109) 5.150 1.952 ( -4.766 -2.752 -2.643) 6.105 2.021 ( -3.853 -2.225 2.773) 5.243 2.262 ( -3.887 -2.244 -1.674) 4.790 2.285 ( 2.660 1.536 -0.176) 3.077 2.364 ( -0.346 -0.200 0.188) 0.442 2.531 ( 0.176 0.101 0.359) 0.412 2.596 ( 1.020 0.589 0.924) 1.497 2.777 ( -3.516 -2.030 -2.060) 4.552 2.828 ( 0.545 0.315 0.857) 1.063 2.980 ( -0.655 -0.378 -0.137) 0.768 3.290 ( 1.210 0.699 0.469) 1.474 3.312 ( -3.058 -1.766 -5.878) 6.858 3.394 ( 1.473 0.851 0.321) 1.731 3.694 ( 11.316 6.533 7.638) 15.135 3.872 ( 6.667 3.849 1.400) 7.824 3.903 ( 0.467 0.270 -1.564) 1.655 4.028 ( 0.369 0.213 0.917) 1.012 5.638 ( 0.898 0.518 -1.971) 2.227 5.747 ( 0.128 0.074 -1.056) 1.066 5.808 ( 1.811 1.045 4.097) 4.600 5.864 ( -1.238 -0.715 0.700) 1.592 5.994 ( -1.285 -0.742 -0.316) 1.517 6.090 ( -0.900 -0.520 -2.603) 2.803 6.191 ( -1.634 -0.944 -0.290) 1.909 6.334 ( 11.047 6.378 2.879) 13.077 6.723 ( 0.681 0.393 -2.058) 2.203 7.070 ( 0.336 0.194 0.810) 0.898 7.112 ( -0.300 -0.173 -0.451) 0.569 7.182 ( -1.446 -0.835 -1.264) 2.095 8.562 ( 3.948 2.280 -1.219) 4.719 8.625 ( 1.803 1.041 -0.243) 2.096 8.883 ( -3.552 -2.051 -1.781) 4.471 8.952 ( 1.200 0.693 -0.195) 1.399 9.186 ( -3.763 -2.173 4.039) 5.933 9.798 ( 4.435 2.561 -1.316) 5.288 10.597 ( -0.683 -0.394 -0.009) 0.789 10.824 ( 0.411 0.237 0.137) 0.494 10.937 ( -0.654 -0.378 -6.968) 7.009 10.976 ( -0.398 -0.230 0.057) 0.463 11.006 ( -3.567 -2.060 3.190) 5.210 11.105 ( -0.756 -0.437 3.102) 3.223 11.177 ( 0.036 0.021 0.136) 0.142 11.232 ( -1.741 -1.005 6.033) 6.360 11.393 ( -5.391 -3.112 -1.608) 6.429 11.996 ( -3.590 -2.073 -2.330) 4.755 15.228 ( -0.995 -0.574 0.249) 1.175 15.532 ( -1.006 -0.581 0.111) 1.167 16.242 ( -1.443 -0.833 -1.996) 2.600 16.493 ( -0.647 -0.373 1.776) 1.927 16.572 ( 3.134 1.810 -3.312) 4.906 16.799 ( -7.661 -4.423 -3.165) 9.396 17.637 ( 11.150 6.437 -5.579) 14.031 17.858 ( 7.058 4.075 10.955) 13.654======================= Grid point 124 (40/116) =======================q-point: (-0.10 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.711 ( -15.071 -8.702 -1.181) 17.443 0.920 ( -20.089 -11.599 -3.871) 23.518 1.173 ( -23.843 -13.766 7.395) 28.507 1.626 ( -0.311 -0.179 -1.896) 1.930 1.646 ( -3.179 -1.835 -2.954) 4.712 1.653 ( -3.509 -2.026 5.505) 6.835 1.817 ( -6.132 -3.540 -4.188) 8.226 1.834 ( -2.098 -1.211 -1.912) 3.086 1.921 ( -5.989 -3.458 4.176) 8.078 2.210 ( -0.413 -0.239 -1.656) 1.723 2.327 ( 1.277 0.737 0.075) 1.477 2.359 ( -0.300 -0.173 -0.046) 0.350 2.546 ( 0.954 0.551 0.865) 1.400 2.620 ( 0.882 0.509 0.425) 1.104 2.705 ( -2.515 -1.452 -1.215) 3.148 2.845 ( 0.904 0.522 0.309) 1.088 2.961 ( -1.075 -0.621 -0.029) 1.242 3.215 ( -3.887 -2.244 -2.654) 5.214 3.309 ( 0.522 0.301 0.070) 0.607 3.433 ( 1.847 1.066 0.289) 2.152 3.908 ( 4.013 2.317 3.765) 5.970 3.915 ( 0.799 0.461 0.096) 0.927 3.989 ( 6.703 3.870 -8.958) 11.839 4.109 ( 5.420 3.129 8.850) 10.839 5.653 ( 0.927 0.535 -1.469) 1.817 5.749 ( 0.340 0.196 -1.177) 1.241 5.826 ( -1.047 -0.605 0.252) 1.235 5.875 ( 1.638 0.946 3.736) 4.188 5.960 ( -1.561 -0.901 -1.022) 2.072 6.058 ( -1.185 -0.684 -2.825) 3.139 6.154 ( -1.524 -0.880 -0.166) 1.768 6.552 ( 7.807 4.507 -5.166) 10.390 6.737 ( 0.814 0.470 0.836) 1.258 7.079 ( 0.239 0.138 0.526) 0.594 7.107 ( -0.047 -0.027 -1.303) 1.304 7.162 ( -0.081 -0.047 7.910) 7.910 8.657 ( 4.844 2.796 -1.589) 5.814 8.664 ( 1.787 1.032 -0.145) 2.069 8.801 ( -3.407 -1.967 -0.656) 3.988 8.978 ( 1.208 0.698 -0.145) 1.403 9.110 ( -4.008 -2.314 2.926) 5.475 9.907 ( 5.884 3.397 -1.400) 6.937 10.584 ( -0.455 -0.262 -0.047) 0.527 10.830 ( 0.171 0.099 0.042) 0.202 10.882 ( -2.289 -1.321 -7.043) 7.522 10.930 ( -4.081 -2.356 2.616) 5.390 10.970 ( -0.157 -0.091 0.128) 0.222 11.095 ( -1.117 -0.645 1.740) 2.166 11.175 ( -0.233 -0.134 0.070) 0.278 11.197 ( -2.657 -1.534 1.292) 3.329 11.286 ( -4.189 -2.419 4.610) 6.682 11.910 ( -3.302 -1.906 -1.767) 4.202 15.206 ( -0.931 -0.537 -0.220) 1.097 15.512 ( -0.827 -0.477 0.015) 0.955 16.208 ( -1.180 -0.682 -0.937) 1.654 16.480 ( -0.885 -0.511 0.748) 1.266 16.592 ( -2.351 -1.357 -5.139) 5.812 16.649 ( -2.817 -1.626 -3.209) 4.569 17.869 ( 10.823 6.249 -7.669) 14.663 18.051 ( 7.208 4.162 14.241) 16.495======================= Grid point 127 (41/116) =======================q-point: ( 0.20 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.500 ( -0.000 19.606 8.000) 21.176 0.545 ( -0.000 11.977 19.515) 22.898 0.829 ( -0.000 23.786 21.499) 32.062 1.436 ( 0.000 3.889 -10.703) 11.388 1.525 ( 0.000 7.112 -8.973) 11.449 1.662 ( -0.000 -0.994 1.478) 1.781 1.743 ( -0.000 1.322 5.407) 5.566 1.799 ( -0.000 2.373 2.823) 3.687 1.889 ( -0.000 0.285 2.202) 2.220 2.178 ( 0.000 -0.828 -4.120) 4.202 2.344 ( 0.000 -0.401 -0.054) 0.405 2.349 ( 0.000 0.402 -0.146) 0.428 2.625 ( -0.000 -2.276 1.180) 2.564 2.633 ( 0.000 -0.451 -0.329) 0.558 2.699 ( -0.000 -5.635 6.237) 8.405 2.868 ( 0.000 -1.353 -0.120) 1.358 2.936 ( -0.000 1.520 0.342) 1.558 3.147 ( -0.000 0.027 1.503) 1.504 3.315 ( 0.000 -0.186 -0.131) 0.227 3.471 ( -0.000 -1.310 0.305) 1.345 3.840 ( 0.000 5.194 -14.259) 15.175 3.963 ( -0.000 -0.957 3.410) 3.541 4.019 ( -0.000 2.634 2.276) 3.481 4.261 ( 0.000 -3.014 -4.661) 5.551 5.659 ( 0.000 -1.263 -0.794) 1.492 5.728 ( 0.000 0.850 -2.168) 2.329 5.806 ( -0.000 0.920 0.175) 0.936 5.875 ( 0.000 2.293 -6.277) 6.683 5.894 ( 0.000 0.984 -3.581) 3.714 6.044 ( -0.000 -0.769 2.966) 3.064 6.126 ( 0.000 0.978 -0.201) 0.999 6.274 ( 0.000 12.912 -12.666) 18.087 6.856 ( -0.000 -2.898 11.403) 11.766 7.080 ( 0.000 0.467 -1.074) 1.171 7.081 ( 0.000 0.148 -0.519) 0.540 7.735 ( -0.000 -28.262 23.200) 36.565 8.697 ( -0.000 -1.349 0.085) 1.352 8.717 ( -0.000 -1.799 0.101) 1.802 8.763 ( -0.000 -1.394 0.660) 1.542 9.000 ( -0.000 -0.915 0.112) 0.921 9.057 ( -0.000 3.979 1.206) 4.158 10.007 ( 0.000 -6.627 -2.739) 7.171 10.577 ( 0.000 0.175 -0.049) 0.182 10.709 ( 0.000 6.035 -6.239) 8.681 10.831 ( 0.000 0.034 -0.106) 0.112 10.877 ( -0.000 3.641 0.846) 3.738 10.971 ( -0.000 0.001 0.124) 0.124 11.051 ( 0.000 5.043 -0.853) 5.115 11.126 ( 0.000 1.839 -0.270) 1.859 11.168 ( 0.000 0.372 -0.169) 0.409 11.282 ( -0.000 6.265 2.031) 6.586 11.894 ( -0.000 -2.918 3.200) 4.331 15.182 ( 0.000 0.621 -0.550) 0.829 15.501 ( -0.000 0.331 0.479) 0.583 16.197 ( -0.000 0.243 1.442) 1.462 16.406 ( 0.000 10.312 -10.626) 14.807 16.452 ( 0.000 1.177 -1.659) 2.034 16.467 ( 0.000 2.577 -5.420) 6.002 17.952 ( 0.000 -2.858 -0.877) 2.990 18.468 ( -0.000 -13.909 10.475) 17.413======================= Grid point 128 (42/116) =======================q-point: ( 0.30 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.802 ( 10.017 12.109 12.819) 20.280 0.866 ( 15.956 14.224 8.596) 23.039 1.169 ( 5.874 22.744 15.447) 28.115 1.460 ( 1.545 6.810 -9.375) 11.690 1.620 ( 4.169 5.979 -5.932) 9.398 1.653 ( 0.253 -0.082 0.745) 0.791 1.788 ( 1.487 2.147 1.096) 2.832 1.838 ( 3.201 0.437 2.102) 3.854 1.925 ( 0.541 4.809 2.118) 5.282 2.162 ( 0.682 0.311 -4.162) 4.229 2.338 ( -0.411 -0.153 -0.161) 0.467 2.351 ( 0.048 -0.201 0.121) 0.239 2.590 ( -1.707 -3.196 3.292) 4.895 2.619 ( -0.972 -0.452 -0.428) 1.154 2.692 ( 1.408 0.170 0.774) 1.615 2.852 ( -0.695 -0.248 -0.088) 0.743 2.958 ( 0.748 1.258 0.288) 1.491 3.172 ( 1.877 0.878 -0.192) 2.081 3.310 ( -0.300 -0.341 -0.089) 0.463 3.447 ( -1.187 -1.605 0.316) 2.021 3.816 ( -0.477 -2.071 -12.204) 12.388 3.964 ( 0.026 -1.442 3.417) 3.709 4.019 ( -2.526 -0.805 4.996) 5.656 4.188 ( -3.640 -2.656 -1.446) 4.732 5.653 ( 1.052 -1.906 -0.865) 2.342 5.716 ( -0.546 -0.759 -2.559) 2.724 5.823 ( 0.775 1.181 0.160) 1.421 5.839 ( -3.651 2.947 -3.651) 5.945 5.906 ( 1.710 0.773 -3.013) 3.549 6.088 ( 3.264 -1.028 1.749) 3.843 6.140 ( 0.548 1.098 -0.197) 1.243 6.332 ( 0.005 4.625 -10.019) 11.035 6.841 ( -1.442 -4.274 7.644) 8.876 7.069 ( -0.612 0.357 -0.841) 1.099 7.096 ( 1.001 0.291 -0.616) 1.211 7.517 ( -7.146 -14.004 17.104) 23.232 8.648 ( -1.853 -4.568 -1.791) 5.245 8.712 ( -0.687 -1.793 0.449) 1.972 8.770 ( 2.113 1.632 0.613) 2.739 8.997 ( 0.268 -0.686 -0.025) 0.737 9.092 ( -0.775 4.327 2.138) 4.888 9.904 ( -2.918 -6.211 -3.218) 7.579 10.585 ( 0.405 0.668 0.193) 0.805 10.777 ( 4.111 2.721 -5.618) 7.474 10.831 ( 0.005 0.179 -0.115) 0.212 10.938 ( 2.450 3.606 0.598) 4.400 10.966 ( -0.169 -0.017 0.084) 0.190 11.135 ( 0.725 2.655 0.707) 2.842 11.159 ( 2.151 3.524 -0.304) 4.140 11.180 ( 2.559 2.679 0.421) 3.728 11.312 ( -3.405 4.216 4.976) 7.358 11.901 ( 1.959 -0.027 0.995) 2.197 15.192 ( 0.459 0.901 -0.249) 1.041 15.510 ( 0.365 0.662 0.444) 0.876 16.232 ( 2.516 0.512 1.818) 3.146 16.439 ( -0.523 0.902 -4.201) 4.329 16.456 ( 1.063 3.446 -9.019) 9.714 16.547 ( 6.212 4.566 -2.009) 7.967 17.877 ( -3.424 -5.794 -2.527) 7.189 18.289 ( -9.846 -11.758 10.525) 18.600======================= Grid point 129 (43/116) =======================q-point: ( 0.40 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.112 ( 10.674 7.589 12.345) 17.998 1.295 ( 17.394 12.203 4.363) 21.692 1.500 ( 5.911 13.005 5.658) 15.364 1.554 ( 4.381 8.389 -5.153) 10.776 1.636 ( 0.761 3.030 -0.183) 3.129 1.724 ( 2.117 3.237 -0.457) 3.895 1.852 ( 3.453 3.226 -4.720) 6.679 1.930 ( 4.962 2.078 2.913) 6.117 1.996 ( 1.908 4.724 1.085) 5.209 2.197 ( 3.844 2.417 -3.390) 5.667 2.321 ( -2.041 0.274 -0.007) 2.059 2.350 ( 0.714 -1.226 0.101) 1.422 2.545 ( -1.454 -2.719 3.156) 4.412 2.595 ( -1.326 -0.134 -0.562) 1.447 2.738 ( 3.139 0.958 -0.766) 3.370 2.846 ( -0.987 2.319 0.083) 2.522 2.981 ( 0.540 1.051 0.217) 1.201 3.204 ( 2.138 -1.510 -2.491) 3.614 3.297 ( -0.762 -0.414 -0.239) 0.899 3.412 ( -1.416 -1.082 0.286) 1.805 3.717 ( -3.206 -3.126 -8.639) 9.730 3.921 ( -6.255 -5.701 7.053) 11.017 3.976 ( -1.266 -0.825 2.538) 2.954 4.118 ( -2.002 -0.877 1.534) 2.670 5.647 ( 0.725 -1.790 -1.102) 2.224 5.685 ( -0.458 -1.634 -3.132) 3.562 5.802 ( -3.229 2.910 -1.596) 4.631 5.852 ( 1.171 1.161 0.390) 1.695 5.940 ( 2.376 1.040 -2.497) 3.600 6.123 ( 1.429 -0.633 0.896) 1.801 6.157 ( 0.837 -0.633 -0.372) 1.113 6.287 ( -4.085 -0.394 -4.317) 5.956 6.793 ( -1.487 -3.992 2.657) 5.021 7.062 ( -0.560 0.531 -0.589) 0.971 7.110 ( 0.693 0.054 -0.340) 0.773 7.374 ( -4.608 -6.221 9.867) 12.542 8.563 ( -2.101 -4.138 -2.121) 5.103 8.671 ( -3.185 0.618 -0.018) 3.245 8.842 ( 5.071 -0.563 0.364) 5.115 8.988 ( -1.268 0.558 0.037) 1.386 9.135 ( 1.258 2.261 2.873) 3.866 9.795 ( -2.614 -4.490 -3.143) 6.072 10.602 ( 0.190 1.529 0.443) 1.603 10.830 ( 0.236 0.264 -0.945) 1.009 10.843 ( 3.103 1.694 -4.449) 5.683 10.972 ( 0.457 0.765 0.263) 0.929 11.012 ( 2.986 2.150 -0.993) 3.811 11.155 ( -1.799 3.880 1.618) 4.573 11.169 ( -0.062 0.269 -0.246) 0.369 11.293 ( -3.126 3.367 7.430) 8.735 11.340 ( 6.713 2.738 1.514) 7.406 11.954 ( 3.722 0.765 -0.967) 3.921 15.210 ( 0.717 0.973 0.123) 1.215 15.527 ( 0.691 0.816 0.472) 1.168 16.287 ( 1.962 1.744 1.339) 2.947 16.422 ( 0.243 -0.867 -4.794) 4.877 16.469 ( 0.031 3.401 -5.454) 6.427 16.707 ( 8.869 3.677 -1.360) 9.697 17.727 ( -5.767 -7.165 -3.809) 9.956 18.029 ( -12.680 -10.182 9.798) 18.985======================= Grid point 130 (44/116) =======================q-point: ( 0.50 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.352 ( 6.946 4.307 9.165) 12.280 1.543 ( -1.641 -1.044 0.113) 1.949 1.661 ( 10.363 9.002 -0.783) 13.750 1.695 ( 7.381 6.600 0.638) 9.922 1.736 ( 3.332 2.581 -2.899) 5.116 1.865 ( 4.778 6.362 -0.761) 7.993 1.901 ( 3.018 5.947 -2.338) 7.067 2.026 ( 1.621 3.202 -0.114) 3.591 2.086 ( 4.159 3.227 2.800) 5.963 2.267 ( -3.986 -0.528 -0.365) 4.037 2.297 ( 4.733 2.480 -2.041) 5.720 2.362 ( 2.537 -0.476 0.242) 2.592 2.519 ( -0.073 -1.974 3.076) 3.656 2.574 ( -1.095 0.361 -0.207) 1.172 2.795 ( 2.985 0.530 -1.182) 3.254 2.873 ( -0.027 5.739 -0.099) 5.740 2.995 ( 0.020 0.819 0.109) 0.826 3.183 ( 0.122 -3.965 -3.905) 5.566 3.270 ( -1.788 -0.661 -2.159) 2.880 3.387 ( -1.022 -0.227 0.129) 1.055 3.627 ( -3.848 -1.553 -2.956) 5.095 3.747 ( -7.679 -7.464 10.906) 15.285 3.960 ( -1.169 -0.241 0.619) 1.345 4.104 ( 0.089 -1.343 1.188) 1.795 5.634 ( -0.264 -0.660 -2.413) 2.515 5.662 ( 1.280 -2.399 -1.748) 3.232 5.779 ( -2.370 2.746 -0.494) 3.661 5.881 ( 0.956 0.891 0.529) 1.410 5.980 ( 2.094 1.134 -1.780) 2.973 6.097 ( -3.968 -5.659 0.068) 6.912 6.135 ( -0.183 0.094 0.067) 0.216 6.236 ( -0.889 1.465 -0.344) 1.748 6.744 ( -0.762 -2.706 -0.863) 2.940 7.058 ( -0.433 0.661 -0.209) 0.817 7.118 ( 0.340 -0.084 0.036) 0.352 7.302 ( -2.385 -2.703 4.398) 5.687 8.498 ( -1.163 -2.447 -1.839) 3.274 8.628 ( -2.863 1.109 -0.220) 3.078 8.912 ( 4.672 -2.090 -0.789) 5.178 8.970 ( -2.051 1.559 0.226) 2.586 9.188 ( 2.437 -0.188 3.670) 4.409 9.719 ( -1.311 -2.858 -2.635) 4.102 10.621 ( -0.195 2.081 0.575) 2.167 10.827 ( -0.608 0.646 -0.234) 0.917 10.892 ( 2.651 1.801 -5.537) 6.398 10.995 ( 0.133 2.279 0.340) 2.308 11.059 ( 2.186 0.121 -2.040) 2.992 11.159 ( -1.224 1.010 3.286) 3.649 11.175 ( -0.871 2.049 0.759) 2.353 11.286 ( -3.503 2.321 8.338) 9.337 11.470 ( 5.742 0.400 0.573) 5.784 12.017 ( 3.860 0.196 -2.407) 4.553 15.232 ( 0.674 0.800 0.499) 1.159 15.548 ( 0.661 0.660 0.500) 1.059 16.327 ( 0.205 2.581 -1.203) 2.855 16.405 ( 0.561 -0.877 -2.997) 3.173 16.491 ( -0.181 4.432 -2.377) 5.032 16.883 ( 9.593 2.336 -2.691) 10.234 17.544 ( -6.014 -7.721 -4.038) 10.587 17.778 ( -10.785 -7.950 9.879) 16.646======================= Grid point 131 (45/116) =======================q-point: ( 0.60 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.472 ( -0.811 -0.529 1.290) 1.613 1.486 ( -0.328 0.047 2.314) 2.338 1.770 ( 0.984 0.054 0.307) 1.032 1.798 ( 2.727 5.132 -1.305) 5.957 1.885 ( 1.157 1.017 -5.371) 5.587 1.934 ( 7.276 5.261 1.183) 9.056 2.025 ( -1.126 1.307 -2.067) 2.693 2.058 ( 1.429 5.839 -0.755) 6.059 2.150 ( -2.773 -1.676 0.671) 3.309 2.202 ( 0.035 1.483 0.662) 1.625 2.350 ( 2.024 -0.078 -1.083) 2.296 2.429 ( 2.192 0.725 0.163) 2.315 2.532 ( 1.907 -0.561 3.460) 3.990 2.570 ( -0.372 1.298 0.632) 1.491 2.829 ( 0.390 1.581 -0.287) 1.653 2.946 ( 1.998 5.573 -4.536) 7.458 2.998 ( -0.420 0.375 -0.220) 0.605 3.132 ( -0.313 -1.848 -2.759) 3.336 3.228 ( -0.321 -1.419 -1.613) 2.172 3.374 ( -0.704 0.061 0.270) 0.757 3.475 ( -7.801 -4.104 5.273) 10.272 3.710 ( 1.188 -2.173 10.653) 10.937 3.935 ( -1.499 -0.141 -1.104) 1.867 4.084 ( -0.230 -2.852 -1.653) 3.305 5.617 ( -0.065 -0.118 -2.737) 2.740 5.671 ( 2.738 -1.930 -0.406) 3.374 5.775 ( -1.106 2.633 0.231) 2.866 5.899 ( 0.240 0.359 0.540) 0.691 5.989 ( -2.400 -3.141 1.458) 4.213 6.016 ( 1.070 0.794 -0.304) 1.367 6.130 ( -0.327 -0.241 -0.835) 0.928 6.243 ( -0.225 1.072 -0.088) 1.099 6.713 ( 0.011 -1.313 -2.626) 2.936 7.059 ( -0.225 0.706 0.260) 0.785 7.121 ( 0.126 -0.246 0.270) 0.386 7.263 ( -1.522 -1.373 1.273) 2.413 8.468 ( 0.127 -1.050 -1.592) 1.911 8.602 ( -1.758 1.727 -0.273) 2.480 8.938 ( 1.307 -1.606 -1.491) 2.552 8.961 ( -0.183 0.174 -0.397) 0.470 9.229 ( 2.134 -2.341 4.586) 5.573 9.682 ( 0.281 -1.398 -2.077) 2.519 10.634 ( -0.819 1.895 0.566) 2.140 10.823 ( -0.715 1.167 -0.222) 1.386 10.925 ( 1.400 2.439 -6.003) 6.629 11.006 ( -1.145 1.690 -0.999) 2.273 11.090 ( 2.081 0.353 0.276) 2.129 11.153 ( -2.370 0.283 4.964) 5.508 11.183 ( -0.180 1.426 0.227) 1.455 11.281 ( -2.766 1.310 8.831) 9.346 11.527 ( 2.444 -2.219 -1.407) 3.589 12.059 ( 2.544 -0.846 -3.163) 4.146 15.248 ( 0.299 0.428 0.717) 0.887 15.561 ( 0.179 0.263 0.416) 0.524 16.336 ( -1.400 2.843 -2.513) 4.045 16.406 ( 1.375 -0.056 -2.336) 2.711 16.528 ( -0.807 5.315 0.432) 5.393 17.019 ( 6.023 0.668 -8.446) 10.395 17.383 ( -2.925 -6.522 -0.403) 7.159 17.623 ( -4.126 -5.301 10.513) 12.476======================= Grid point 132 (46/116) =======================q-point: (-0.30 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.356 ( -7.428 -3.417 -1.648) 8.340 1.532 ( 1.412 0.696 1.476) 2.158 1.756 ( -1.664 -1.269 -0.971) 2.307 1.830 ( -3.945 0.952 0.149) 4.061 1.872 ( -7.895 -0.613 -1.377) 8.038 1.916 ( -0.965 1.242 -3.236) 3.598 2.042 ( -2.713 -1.573 -1.649) 3.543 2.065 ( 1.142 2.538 0.045) 2.784 2.156 ( -0.530 0.012 1.122) 1.241 2.205 ( -0.880 2.040 0.448) 2.267 2.357 ( -0.513 -0.878 -0.187) 1.034 2.419 ( -1.992 -1.960 -0.247) 2.806 2.540 ( -1.342 -2.304 1.510) 3.065 2.584 ( -0.109 1.672 1.198) 2.059 2.837 ( -0.701 0.662 -1.013) 1.398 2.937 ( -5.467 3.680 -4.926) 8.228 2.995 ( -0.119 0.334 -0.453) 0.576 3.182 ( 7.360 1.602 -5.866) 9.547 3.236 ( 2.349 -0.503 0.096) 2.405 3.365 ( 0.198 -0.391 1.128) 1.210 3.442 ( 2.329 0.894 9.993) 10.300 3.745 ( 1.147 -2.660 10.260) 10.661 3.908 ( -0.857 0.027 -1.849) 2.038 4.040 ( -0.600 -2.097 -3.280) 3.939 5.613 ( 0.527 0.259 -2.378) 2.450 5.703 ( 2.668 -1.499 0.233) 3.069 5.789 ( -0.322 2.213 1.144) 2.512 5.899 ( -0.608 -0.079 0.459) 0.766 5.991 ( 3.278 -0.100 1.013) 3.433 6.040 ( 1.769 0.764 0.935) 2.142 6.117 ( -0.385 -0.153 -1.532) 1.588 6.242 ( -0.900 0.934 -0.108) 1.302 6.702 ( 0.577 -0.241 -2.955) 3.020 7.065 ( -0.037 0.665 0.641) 0.924 7.119 ( -0.046 -0.474 0.193) 0.514 7.230 ( -1.466 -0.896 -0.037) 1.719 8.472 ( 1.573 0.023 -1.437) 2.130 8.603 ( -0.543 2.618 -0.257) 2.686 8.930 ( 0.797 -3.267 -1.928) 3.876 8.951 ( -1.051 1.268 -0.558) 1.739 9.238 ( 0.673 -4.134 4.929) 6.468 9.688 ( 2.129 -0.051 -1.772) 2.771 10.632 ( -1.407 1.152 0.410) 1.864 10.825 ( -0.537 1.595 -0.238) 1.700 10.943 ( 0.152 2.744 -5.631) 6.266 10.990 ( -0.890 -0.300 -1.525) 1.792 11.118 ( -3.313 -0.982 4.782) 5.899 11.130 ( 0.506 2.300 1.839) 2.988 11.194 ( -0.627 1.798 0.388) 1.943 11.279 ( -1.870 -0.224 8.893) 9.090 11.501 ( -0.811 -4.174 -3.051) 5.233 12.059 ( 0.273 -1.775 -3.250) 3.714 15.252 ( -0.347 -0.017 0.552) 0.652 15.560 ( -0.513 -0.142 0.231) 0.580 16.318 ( -3.045 2.718 -2.063) 4.573 16.440 ( 3.455 0.328 -2.278) 4.151 16.559 ( -2.280 5.793 1.088) 6.320 16.985 ( -2.701 -4.941 -9.625) 11.151 17.377 ( 4.849 0.856 -1.116) 5.049 17.626 ( 4.786 -3.640 11.867) 13.303======================= Grid point 133 (47/116) =======================q-point: (-0.20 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.159 ( -11.590 -4.043 -1.118) 12.326 1.558 ( 0.465 0.178 0.276) 0.569 1.569 ( -17.136 -2.836 -2.892) 17.608 1.730 ( -2.900 -0.095 -1.655) 3.341 1.797 ( -4.943 -0.498 3.246) 5.934 1.878 ( -7.379 -1.611 -1.892) 7.786 1.953 ( -6.463 -3.535 1.169) 7.459 2.009 ( -6.080 -1.730 -0.252) 6.327 2.077 ( -3.954 -0.149 0.668) 4.013 2.262 ( 2.253 2.742 -0.344) 3.566 2.308 ( -4.206 -1.715 -1.548) 4.799 2.362 ( -0.615 -1.739 0.686) 1.968 2.515 ( 0.781 -1.288 -0.637) 1.635 2.601 ( 0.086 1.269 0.798) 1.502 2.801 ( -2.343 -1.194 -2.957) 3.957 2.880 ( -4.443 3.925 0.040) 5.928 2.991 ( -0.699 0.536 -0.263) 0.919 3.265 ( 3.276 -0.227 -4.312) 5.419 3.276 ( 2.222 -0.207 -4.284) 4.830 3.378 ( 1.101 0.136 0.701) 1.312 3.596 ( 9.355 1.234 12.619) 15.756 3.792 ( 5.013 -0.624 1.760) 5.350 3.902 ( 0.157 0.912 -0.618) 1.113 4.023 ( 0.558 -0.332 1.055) 1.239 5.622 ( 0.886 0.572 -1.967) 2.232 5.722 ( 1.440 -1.106 -0.697) 1.945 5.818 ( 0.770 1.905 2.375) 3.140 5.882 ( -1.309 -0.373 0.468) 1.440 6.001 ( -0.975 -0.817 -0.801) 1.503 6.096 ( -0.141 0.313 -2.331) 2.356 6.156 ( 5.847 -0.930 1.371) 6.077 6.255 ( 3.016 3.518 0.225) 4.640 6.707 ( 0.938 0.447 -1.931) 2.193 7.073 ( 0.057 0.488 0.717) 0.869 7.112 ( -0.185 -0.547 -0.146) 0.596 7.199 ( -1.508 -0.535 0.744) 1.764 8.511 ( 3.348 0.863 -1.412) 3.735 8.630 ( 0.312 3.427 -0.210) 3.447 8.882 ( -0.995 -4.535 -1.506) 4.881 8.960 ( -0.248 2.630 -0.503) 2.689 9.206 ( -1.202 -5.062 4.419) 6.826 9.738 ( 4.059 0.962 -1.700) 4.504 10.616 ( -1.520 0.521 0.252) 1.626 10.832 ( -0.384 1.416 -0.276) 1.493 10.941 ( -1.405 2.640 -6.231) 6.911 10.967 ( -0.207 -1.476 -0.077) 1.492 11.061 ( -3.612 -2.044 4.003) 5.766 11.158 ( -1.164 3.269 2.289) 4.157 11.197 ( -1.632 2.329 0.549) 2.896 11.270 ( -1.667 -1.668 7.458) 7.822 11.413 ( -2.905 -5.086 -2.646) 6.427 12.015 ( -2.081 -1.898 -2.886) 4.033 15.241 ( -0.962 -0.307 0.071) 1.012 15.545 ( -1.015 -0.331 0.072) 1.070 16.280 ( -3.332 1.781 -1.206) 3.966 16.494 ( 2.853 0.472 -2.334) 3.717 16.569 ( -2.442 4.951 -0.842) 5.584 16.841 ( -4.806 -5.479 -5.522) 9.144 17.509 ( 8.971 4.173 -2.651) 10.243 17.763 ( 9.772 -2.452 10.793) 14.765======================= Grid point 134 (48/116) =======================q-point: (-0.10 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.909 ( -15.044 -2.500 2.469) 15.449 1.214 ( -22.135 -0.938 -2.590) 22.306 1.471 ( -18.100 -5.263 4.441) 19.366 1.629 ( -2.995 -1.070 0.094) 3.182 1.688 ( -5.547 -1.950 -2.436) 6.364 1.722 ( -4.224 -0.997 2.898) 5.219 1.856 ( -3.741 -0.275 -0.576) 3.795 1.910 ( -6.351 0.552 -4.141) 7.601 1.998 ( -5.285 -2.103 2.479) 6.205 2.223 ( -2.655 -0.304 -1.978) 3.325 2.318 ( 1.348 1.917 -0.109) 2.346 2.351 ( 0.351 -1.317 0.240) 1.384 2.527 ( 1.576 -0.416 0.173) 1.640 2.615 ( 0.461 0.441 0.069) 0.642 2.738 ( -3.128 -0.298 -1.795) 3.619 2.857 ( -1.561 1.316 0.094) 2.044 2.979 ( -1.235 0.252 -0.091) 1.264 3.239 ( -2.026 -1.062 -4.751) 5.273 3.299 ( 1.069 0.085 0.312) 1.116 3.408 ( 1.965 0.275 0.498) 2.046 3.811 ( 10.915 0.357 5.198) 12.095 3.880 ( 4.630 0.370 -2.486) 5.269 3.926 ( 1.574 1.820 -1.780) 2.993 4.066 ( 3.718 -0.352 6.962) 7.901 5.638 ( 1.005 0.842 -1.374) 1.899 5.730 ( 1.037 -0.468 -1.431) 1.828 5.844 ( -0.973 0.335 0.233) 1.055 5.870 ( 0.879 -0.194 1.888) 2.091 5.962 ( -1.647 -1.283 -1.717) 2.703 6.083 ( -1.456 1.426 -1.407) 2.477 6.166 ( -0.824 -1.125 0.016) 1.395 6.417 ( 9.731 1.679 -4.144) 10.709 6.729 ( 1.282 0.793 0.831) 1.721 7.079 ( 0.078 -0.012 0.258) 0.270 7.105 ( -0.110 -0.078 -0.344) 0.370 7.190 ( -0.086 0.380 6.741) 6.752 8.585 ( 4.983 1.138 -1.696) 5.385 8.671 ( 0.675 3.408 -0.101) 3.475 8.814 ( -2.020 -3.419 -0.319) 3.984 8.982 ( 0.177 2.241 -0.509) 2.305 9.141 ( -2.535 -4.547 3.286) 6.156 9.824 ( 5.819 1.340 -1.822) 6.243 10.598 ( -1.177 0.197 0.161) 1.204 10.835 ( -0.317 0.680 -0.312) 0.813 10.902 ( -2.741 1.245 -6.281) 6.965 10.960 ( 0.096 -0.490 0.793) 0.937 10.992 ( -4.021 -1.561 2.758) 5.119 11.165 ( -2.739 2.666 2.464) 4.547 11.186 ( -1.651 1.129 -0.738) 2.132 11.236 ( -2.935 -1.731 3.360) 4.785 11.315 ( -2.569 -4.874 2.127) 5.905 11.947 ( -3.350 -0.678 -1.954) 3.937 15.219 ( -1.187 -0.291 -0.399) 1.286 15.525 ( -1.104 -0.255 0.010) 1.133 16.240 ( -2.751 1.097 -0.005) 2.962 16.502 ( -1.184 -0.015 -1.331) 1.782 16.580 ( 0.442 2.851 -6.163) 6.805 16.699 ( -6.069 -2.821 -3.104) 7.377 17.717 ( 11.652 4.346 -2.252) 12.638 17.947 ( 11.101 -2.414 10.650) 15.572======================= Grid point 138 (49/116) =======================q-point: ( 0.30 0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.890 ( -0.000 11.019 17.641) 20.800 0.923 ( -0.000 20.194 4.733) 20.741 1.388 ( -0.000 20.911 12.851) 24.544 1.497 ( 0.000 9.022 -7.567) 11.775 1.635 ( 0.000 9.661 -6.223) 11.492 1.651 ( -0.000 -0.240 0.970) 0.999 1.806 ( 0.000 -0.002 -0.261) 0.261 1.818 ( -0.000 3.188 3.585) 4.798 1.969 ( -0.000 4.336 -0.001) 4.336 2.149 ( 0.000 1.385 -3.617) 3.873 2.327 ( 0.000 -1.509 -0.008) 1.509 2.360 ( -0.000 0.762 0.173) 0.781 2.585 ( -0.000 -3.007 3.228) 4.412 2.619 ( 0.000 -0.795 -0.389) 0.885 2.680 ( -0.000 -0.199 0.042) 0.204 2.846 ( 0.000 -0.950 -0.030) 0.950 2.964 ( -0.000 1.106 0.327) 1.154 3.173 ( -0.000 1.250 0.158) 1.260 3.309 ( 0.000 -0.401 -0.042) 0.404 3.441 ( -0.000 -1.938 0.349) 1.970 3.765 ( 0.000 -1.821 -10.584) 10.739 3.959 ( -0.000 -1.666 2.844) 3.296 4.043 ( -0.000 -2.335 5.077) 5.588 4.189 ( 0.000 -2.315 -1.777) 2.918 5.622 ( 0.000 -1.735 -1.216) 2.119 5.708 ( 0.000 -0.856 -2.426) 2.572 5.828 ( 0.000 1.333 -0.289) 1.364 5.886 ( 0.000 0.382 -2.355) 2.385 5.892 ( 0.000 3.227 -4.331) 5.401 6.053 ( -0.000 -0.377 2.618) 2.645 6.151 ( 0.000 1.791 -0.073) 1.793 6.341 ( 0.000 2.012 -7.034) 7.316 6.824 ( -0.000 -6.431 5.582) 8.516 7.080 ( 0.000 0.153 -0.526) 0.548 7.086 ( 0.000 0.942 -0.753) 1.206 7.485 ( -0.000 -13.656 13.749) 19.378 8.615 ( 0.000 -6.159 -1.277) 6.290 8.663 ( 0.000 -2.231 -0.028) 2.231 8.804 ( -0.000 3.212 0.564) 3.261 8.978 ( -0.000 -1.448 0.228) 1.465 9.167 ( -0.000 6.161 1.883) 6.443 9.852 ( 0.000 -6.912 -3.259) 7.641 10.582 ( 0.000 0.472 -0.053) 0.475 10.754 ( 0.000 2.886 -4.380) 5.246 10.829 ( 0.000 -0.175 -0.042) 0.180 10.968 ( -0.000 5.249 0.813) 5.312 10.973 ( -0.000 0.217 0.052) 0.223 11.130 ( -0.000 3.713 0.705) 3.779 11.174 ( 0.000 0.366 -0.178) 0.407 11.211 ( -0.000 5.935 0.772) 5.985 11.406 ( -0.000 4.437 4.704) 6.467 11.886 ( -0.000 0.247 0.245) 0.348 15.198 ( -0.000 1.211 0.079) 1.214 15.516 ( -0.000 0.919 0.449) 1.023 16.215 ( -0.000 0.631 1.297) 1.442 16.424 ( 0.000 -0.623 -6.079) 6.111 16.469 ( 0.000 1.731 -1.515) 2.300 16.534 ( 0.000 7.225 -4.309) 8.413 17.839 ( 0.000 -7.138 -1.846) 7.373 18.282 ( -0.000 -12.793 7.567) 14.863======================= Grid point 139 (50/116) =======================q-point: ( 0.40 0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.097 ( 6.003 9.179 14.697) 18.338 1.213 ( 10.340 17.132 3.769) 20.363 1.547 ( 1.053 6.864 -2.860) 7.511 1.592 ( 0.807 6.463 0.464) 6.530 1.675 ( -0.029 6.408 0.048) 6.409 1.739 ( 2.787 9.282 -0.871) 9.730 1.839 ( 1.471 6.485 0.507) 6.669 1.894 ( 3.614 3.519 3.176) 5.961 2.009 ( 1.456 3.134 -1.510) 3.771 2.171 ( 1.136 3.511 -2.855) 4.665 2.316 ( 0.828 -2.242 -0.040) 2.390 2.358 ( -1.311 0.733 0.272) 1.526 2.554 ( -1.548 -2.974 3.826) 5.087 2.607 ( -0.520 -0.342 -0.514) 0.807 2.695 ( 2.124 0.031 -1.228) 2.454 2.855 ( 1.667 0.599 -0.119) 1.775 2.980 ( 0.713 0.780 0.249) 1.086 3.175 ( -0.396 -0.712 -0.689) 1.067 3.301 ( -0.405 -0.554 -0.080) 0.691 3.418 ( -0.696 -1.574 0.305) 1.748 3.709 ( -1.619 -0.363 -7.469) 7.651 3.948 ( -0.860 -2.886 2.968) 4.228 4.000 ( -2.704 -4.591 3.829) 6.561 4.148 ( -2.027 -1.358 0.452) 2.481 5.609 ( 0.769 -1.890 -1.199) 2.367 5.681 ( -1.086 -0.891 -2.782) 3.116 5.845 ( 0.686 1.266 -1.034) 1.773 5.871 ( -2.085 1.435 -0.737) 2.636 5.911 ( 1.209 2.243 -2.579) 3.626 6.080 ( 2.137 -0.934 1.543) 2.797 6.165 ( -0.473 1.447 0.002) 1.522 6.308 ( -1.539 -2.355 -3.868) 4.783 6.770 ( -0.623 -5.937 2.091) 6.325 7.075 ( -0.491 0.576 -0.532) 0.925 7.100 ( 0.610 0.586 -0.283) 0.892 7.394 ( -2.404 -8.401 9.212) 12.697 8.542 ( -1.295 -4.762 -1.728) 5.229 8.670 ( 2.497 -2.626 0.002) 3.624 8.820 ( -1.342 2.768 0.520) 3.120 8.978 ( 1.357 -1.253 0.244) 1.863 9.204 ( -2.819 5.534 2.199) 6.588 9.769 ( -1.334 -5.442 -3.090) 6.398 10.605 ( 1.534 1.147 0.547) 1.992 10.781 ( 2.248 1.206 -4.163) 4.882 10.834 ( 0.751 0.258 -0.122) 0.803 10.971 ( -0.007 0.563 0.052) 0.565 11.023 ( 0.151 4.910 -0.167) 4.915 11.170 ( -0.298 0.464 -0.566) 0.790 11.202 ( 2.268 3.304 0.136) 4.009 11.282 ( 2.460 4.604 2.671) 5.863 11.428 ( -3.833 3.951 6.256) 8.333 11.906 ( 2.083 0.493 -1.203) 2.455 15.213 ( 0.325 1.299 0.386) 1.393 15.530 ( 0.320 1.076 0.393) 1.189 16.256 ( 3.270 1.037 0.760) 3.514 16.395 ( 0.085 -1.921 -2.803) 3.399 16.488 ( 0.482 3.481 -2.983) 4.610 16.621 ( 4.560 4.283 -2.437) 6.714 17.728 ( -4.083 -7.582 -2.371) 8.932 18.123 ( -7.488 -11.272 5.814) 14.729======================= Grid point 140 (51/116) =======================q-point: ( 0.50 0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.321 ( 6.485 5.922 10.990) 14.068 1.547 ( 5.065 5.683 1.367) 7.734 1.573 ( 6.285 6.275 0.303) 8.887 1.675 ( 3.070 5.293 -2.635) 6.662 1.719 ( 1.328 5.020 -3.438) 6.228 1.848 ( 1.963 3.448 -4.047) 5.667 1.945 ( 1.860 7.490 2.987) 8.276 2.029 ( 3.308 8.248 3.736) 9.640 2.075 ( 2.775 3.266 -0.350) 4.300 2.238 ( 4.010 4.371 -2.513) 6.442 2.311 ( 1.368 -3.055 0.037) 3.347 2.330 ( -2.763 0.656 -0.541) 2.891 2.520 ( -0.945 -2.067 4.632) 5.160 2.593 ( -0.900 0.400 -0.307) 1.031 2.736 ( 3.437 -0.286 -1.826) 3.902 2.910 ( 2.223 3.833 -0.429) 4.451 3.002 ( 0.920 0.857 0.150) 1.266 3.138 ( -0.880 -3.502 -1.296) 3.836 3.282 ( -1.208 -0.592 -1.607) 2.095 3.397 ( -0.609 -0.626 0.041) 0.875 3.667 ( -2.507 2.239 -1.825) 3.825 3.825 ( -7.488 -8.890 5.637) 12.918 3.968 ( 0.043 -1.076 0.770) 1.323 4.105 ( -1.854 -2.004 0.740) 2.829 5.603 ( 1.120 -1.781 -1.127) 2.387 5.645 ( -1.140 -0.695 -2.575) 2.901 5.837 ( -2.148 1.570 -1.262) 2.944 5.877 ( 0.773 1.055 0.954) 1.619 5.952 ( 2.101 2.032 -2.022) 3.554 6.088 ( -0.487 -3.368 1.096) 3.575 6.146 ( -1.650 -1.110 -0.240) 2.003 6.256 ( -0.703 -0.667 -0.931) 1.344 6.717 ( -0.221 -4.013 -0.524) 4.053 7.072 ( -0.465 0.802 -0.450) 1.031 7.112 ( 0.387 0.193 0.114) 0.447 7.322 ( -2.026 -4.243 4.718) 6.661 8.482 ( -0.800 -3.000 -1.586) 3.486 8.674 ( -0.307 -0.469 -0.231) 0.606 8.830 ( 1.265 -0.451 0.033) 1.344 8.994 ( 1.062 -0.102 0.258) 1.097 9.203 ( -2.647 2.564 2.782) 4.617 9.696 ( -0.962 -3.592 -2.648) 4.565 10.647 ( 0.752 2.487 1.599) 3.051 10.811 ( 2.367 -0.313 -3.847) 4.528 10.861 ( 1.515 1.771 -0.900) 2.498 10.996 ( 2.222 0.918 0.435) 2.443 11.054 ( -1.101 3.585 -1.819) 4.168 11.165 ( -0.186 0.003 0.101) 0.211 11.246 ( -1.071 3.789 0.514) 3.970 11.383 ( 4.854 0.562 2.241) 5.376 11.413 ( -4.801 3.598 7.315) 9.461 11.947 ( 3.304 -0.254 -2.393) 4.087 15.233 ( 0.448 1.089 0.578) 1.311 15.547 ( 0.477 0.936 0.318) 1.097 16.316 ( 2.055 0.949 -2.963) 3.729 16.394 ( 1.827 -0.064 3.133) 3.628 16.524 ( 0.181 5.117 -3.872) 6.420 16.742 ( 8.026 1.057 -1.465) 8.227 17.557 ( -6.526 -7.844 -2.981) 10.631 17.896 ( -10.007 -8.982 5.121) 14.389======================= Grid point 141 (52/116) =======================q-point: ( 0.60 0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.465 ( 2.800 2.182 5.379) 6.445 1.516 ( -2.470 -1.434 0.012) 2.857 1.740 ( 3.006 0.444 0.092) 3.040 1.804 ( 3.423 7.705 -2.740) 8.865 1.858 ( 8.296 7.225 -0.180) 11.003 1.871 ( 0.788 2.663 -4.420) 5.220 2.041 ( 1.331 2.679 1.472) 3.334 2.089 ( 0.100 3.544 -0.664) 3.607 2.175 ( 2.873 3.635 1.645) 4.917 2.247 ( -5.486 -0.880 -1.157) 5.675 2.310 ( 1.767 -0.460 -1.102) 2.133 2.383 ( 5.649 3.884 0.647) 6.886 2.519 ( 0.324 -0.509 3.758) 3.806 2.591 ( -0.335 1.348 0.831) 1.619 2.784 ( 3.651 -0.525 -2.543) 4.480 2.970 ( 0.792 2.900 -0.772) 3.104 3.025 ( -0.553 2.487 -0.287) 2.563 3.099 ( 1.233 -3.162 0.413) 3.419 3.239 ( -2.660 1.339 -5.417) 6.182 3.386 ( -0.488 0.114 -0.064) 0.505 3.593 ( -8.893 -4.318 4.752) 10.969 3.698 ( -0.025 -3.014 7.411) 8.000 3.956 ( -1.179 -0.203 -0.430) 1.271 4.051 ( -0.822 -4.218 -1.291) 4.487 5.605 ( 0.974 -0.793 -1.774) 2.173 5.621 ( 0.371 -0.872 -1.062) 1.423 5.818 ( -1.575 1.480 -0.222) 2.172 5.900 ( 0.507 0.471 0.830) 1.081 5.996 ( 0.455 0.624 -1.498) 1.685 6.009 ( -1.792 -3.110 1.707) 3.975 6.126 ( -0.150 -0.983 -0.555) 1.139 6.257 ( -0.015 1.027 -0.158) 1.039 6.686 ( 0.394 -1.999 -1.793) 2.714 7.073 ( -0.360 0.939 -0.157) 1.018 7.116 ( 0.152 -0.251 0.317) 0.432 7.277 ( -1.422 -2.019 1.762) 3.033 8.449 ( -0.006 -1.489 -1.262) 1.952 8.658 ( -2.102 2.063 -0.172) 2.951 8.846 ( 3.073 -3.680 -0.896) 4.877 9.005 ( -0.884 1.882 -0.181) 2.087 9.194 ( -0.136 -1.779 3.527) 3.952 9.655 ( 0.093 -1.948 -2.008) 2.799 10.677 ( -0.947 2.588 1.974) 3.390 10.830 ( 1.267 0.803 -2.925) 3.287 10.905 ( 1.956 2.321 -1.808) 3.533 11.032 ( -0.231 -1.009 -2.260) 2.486 11.070 ( 1.406 4.710 0.975) 5.011 11.170 ( 0.507 -0.156 1.189) 1.301 11.245 ( -3.130 2.716 1.229) 4.323 11.388 ( -4.461 2.470 7.049) 8.700 11.448 ( 3.413 -2.805 0.285) 4.427 11.987 ( 3.376 -1.045 -3.094) 4.697 15.250 ( 0.326 0.653 0.582) 0.933 15.562 ( 0.295 0.540 0.190) 0.644 16.331 ( 1.497 -0.092 -2.674) 3.066 16.444 ( -1.311 4.432 2.715) 5.361 16.573 ( 1.759 4.681 -1.430) 5.201 16.884 ( 8.544 1.339 -4.536) 9.766 17.364 ( -5.562 -9.069 -1.401) 10.731 17.690 ( -7.611 -6.781 5.204) 11.445======================= Grid point 142 (53/116) =======================q-point: (-0.30 0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.434 ( -5.210 -1.652 0.036) 5.466 1.521 ( 1.187 0.444 1.417) 1.901 1.763 ( -0.295 -0.543 -0.494) 0.791 1.889 ( 1.874 3.387 -2.817) 4.787 1.893 ( -1.025 3.980 0.103) 4.111 1.997 ( -2.442 0.668 -0.051) 2.532 2.022 ( 1.820 0.369 -1.597) 2.450 2.122 ( -4.191 -0.776 -0.164) 4.266 2.172 ( -0.300 5.085 -0.730) 5.146 2.223 ( 0.651 0.840 0.274) 1.097 2.334 ( 2.001 -0.611 -1.252) 2.438 2.446 ( -1.751 1.190 0.708) 2.233 2.541 ( 0.144 -1.472 2.465) 2.875 2.608 ( -0.195 1.635 1.066) 1.961 2.816 ( 1.897 -0.581 -3.649) 4.153 2.992 ( 0.642 0.389 -0.790) 1.090 3.031 ( 0.466 2.949 -3.518) 4.614 3.128 ( 1.005 2.145 3.665) 4.363 3.191 ( -1.486 0.246 -4.440) 4.689 3.375 ( -1.106 -0.186 0.357) 1.177 3.473 ( -3.019 -0.692 5.704) 6.491 3.709 ( 1.827 -6.107 8.861) 10.915 3.922 ( -1.636 -0.275 -1.154) 2.020 4.009 ( 0.575 -2.297 -2.139) 3.191 5.602 ( 0.229 0.302 -2.022) 2.057 5.643 ( 2.932 -0.961 -0.056) 3.087 5.814 ( -0.497 1.136 0.447) 1.318 5.906 ( -0.045 -0.148 0.899) 0.912 5.951 ( 0.328 -1.748 0.822) 1.959 6.039 ( 0.625 1.847 -0.134) 1.954 6.110 ( -0.046 -1.061 -1.113) 1.539 6.263 ( -0.442 0.958 -0.054) 1.056 6.679 ( 0.801 -0.381 -2.021) 2.207 7.077 ( -0.245 0.934 0.260) 1.000 7.114 ( 0.008 -0.676 0.266) 0.726 7.245 ( -1.253 -0.969 0.524) 1.668 8.444 ( 0.956 -0.378 -1.034) 1.458 8.652 ( -1.689 3.599 -0.112) 3.977 8.849 ( 2.654 -5.036 -1.231) 5.824 9.002 ( -2.031 3.264 -0.915) 3.952 9.187 ( 1.439 -4.977 4.029) 6.563 9.650 ( 1.432 -0.565 -1.491) 2.143 10.676 ( -1.957 1.343 1.424) 2.768 10.847 ( 0.005 2.186 -1.862) 2.872 10.949 ( 1.093 2.435 -1.428) 3.027 10.998 ( -1.282 -0.420 -2.872) 3.173 11.139 ( 0.117 1.870 1.682) 2.517 11.189 ( 1.252 1.599 3.850) 4.353 11.213 ( -2.867 1.827 -0.424) 3.427 11.357 ( -3.904 0.336 6.676) 7.742 11.444 ( 1.006 -4.879 -1.829) 5.307 12.012 ( 2.114 -1.203 -3.083) 3.927 15.258 ( -0.088 0.159 0.319) 0.367 15.566 ( -0.208 0.107 0.034) 0.236 16.358 ( 2.132 1.044 -1.776) 2.964 16.439 ( -3.946 3.564 0.546) 5.346 16.654 ( 0.851 6.617 1.682) 6.881 16.942 ( -1.345 -0.988 -10.091) 10.228 17.272 ( 5.411 -5.613 1.505) 7.941 17.575 ( -1.164 -5.851 6.693) 8.965======================= Grid point 143 (54/116) =======================q-point: (-0.20 0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.307 ( -8.940 -0.956 1.404) 9.100 1.543 ( 1.175 -0.062 -0.002) 1.177 1.730 ( -3.353 -0.317 -0.637) 3.427 1.836 ( -10.385 1.191 -1.700) 10.590 1.889 ( -5.849 -0.416 1.037) 5.955 1.924 ( -0.433 2.126 -2.463) 3.282 1.995 ( -2.532 -1.445 -0.227) 2.924 2.119 ( -1.577 2.355 0.421) 2.866 2.140 ( -5.913 -1.796 0.445) 6.196 2.259 ( 1.336 2.936 -0.531) 3.269 2.341 ( -0.537 -0.419 -0.798) 1.049 2.381 ( -5.211 -2.331 0.860) 5.773 2.495 ( -0.992 -1.647 -0.880) 2.115 2.615 ( -0.410 0.500 0.180) 0.672 2.812 ( -0.651 0.300 -3.267) 3.344 2.985 ( -1.892 0.228 -0.056) 1.907 3.048 ( -5.354 5.940 -2.578) 8.402 3.148 ( 5.292 -0.481 -6.919) 8.724 3.246 ( 3.504 0.866 5.532) 6.606 3.366 ( 0.600 -0.395 1.208) 1.406 3.498 ( 4.934 -2.276 6.085) 8.158 3.707 ( 3.408 -5.193 2.395) 6.657 3.911 ( -0.212 0.806 0.846) 1.188 4.012 ( 1.103 0.059 0.971) 1.471 5.608 ( 0.692 0.738 -1.566) 1.864 5.680 ( 2.375 -0.747 -0.808) 2.617 5.824 ( 0.503 0.523 1.008) 1.242 5.901 ( -0.965 -0.130 0.381) 1.045 5.987 ( 3.682 -0.313 -0.122) 3.697 6.049 ( 0.892 -0.130 -0.794) 1.202 6.110 ( 0.822 0.328 -0.102) 0.891 6.262 ( -0.379 0.814 -0.171) 0.914 6.690 ( 1.067 0.688 -1.381) 1.876 7.082 ( -0.251 0.507 0.439) 0.716 7.108 ( -0.008 -0.637 0.112) 0.647 7.221 ( -1.186 -0.285 1.056) 1.613 8.467 ( 2.196 0.358 -0.972) 2.428 8.668 ( -0.698 3.600 -0.267) 3.676 8.833 ( 1.208 -4.032 -0.625) 4.255 9.000 ( -1.523 3.250 -1.138) 3.765 9.169 ( 0.843 -5.522 3.723) 6.713 9.680 ( 2.965 0.407 -1.310) 3.267 10.654 ( -2.127 0.342 0.908) 2.338 10.855 ( -0.766 1.690 -1.237) 2.230 10.961 ( -0.548 -0.974 0.176) 1.131 10.981 ( -1.201 3.955 -3.827) 5.633 11.106 ( -3.024 -2.665 3.352) 5.242 11.195 ( -0.978 1.465 -2.176) 2.800 11.260 ( 0.423 4.843 3.608) 6.054 11.310 ( -3.079 -2.671 5.329) 6.709 11.386 ( -1.214 -4.942 -1.740) 5.378 12.012 ( -0.073 -0.324 -2.445) 2.467 15.252 ( -0.668 -0.158 -0.127) 0.698 15.558 ( -0.758 -0.122 -0.046) 0.770 16.367 ( -4.143 2.504 0.190) 4.845 16.434 ( 2.680 0.628 -2.497) 3.717 16.707 ( -5.339 8.609 1.689) 10.270 16.817 ( -2.254 -6.274 -6.880) 9.580 17.392 ( 9.026 2.115 -2.999) 9.743 17.598 ( 7.723 -6.456 9.337) 13.730======================= Grid point 144 (55/116) =======================q-point: (-0.10 0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.145 ( -12.147 1.600 4.914) 13.201 1.546 ( -12.049 1.182 -0.879) 12.139 1.564 ( -5.325 0.581 0.597) 5.390 1.726 ( -4.380 0.883 -2.233) 4.995 1.784 ( -5.220 -1.988 -0.516) 5.609 1.842 ( -13.721 -1.021 0.213) 13.760 1.943 ( -4.496 0.773 2.514) 5.209 1.978 ( -5.114 -0.027 -2.018) 5.498 2.082 ( -5.159 -0.405 0.133) 5.176 2.278 ( -4.260 0.709 -1.174) 4.475 2.308 ( 2.046 0.990 0.390) 2.306 2.336 ( -0.234 -0.919 -0.197) 0.969 2.495 ( 1.504 0.063 -0.982) 1.797 2.609 ( 0.049 -0.655 -0.730) 0.982 2.784 ( -2.463 1.265 -1.995) 3.413 2.921 ( -5.179 -0.336 -0.457) 5.210 3.005 ( -1.880 0.135 -0.331) 1.914 3.210 ( 3.573 1.231 -6.160) 7.227 3.292 ( 0.187 1.299 0.652) 1.465 3.387 ( 1.039 0.157 1.146) 1.555 3.633 ( 11.239 -4.124 8.380) 14.614 3.759 ( 7.017 -1.653 -4.011) 8.250 3.926 ( 0.373 0.770 2.120) 2.286 4.044 ( 1.399 0.079 4.495) 4.708 5.627 ( 0.992 1.097 -0.942) 1.754 5.700 ( 1.510 -0.363 -2.015) 2.545 5.839 ( 0.893 -1.205 0.398) 1.551 5.878 ( -1.583 -0.290 0.035) 1.610 5.986 ( -1.902 0.419 -1.024) 2.201 6.101 ( 1.751 1.546 -1.809) 2.954 6.139 ( 3.011 -1.186 0.788) 3.331 6.284 ( 4.031 -0.461 -1.495) 4.324 6.717 ( 1.427 1.140 0.311) 1.852 7.078 ( -0.241 -0.516 -0.098) 0.578 7.107 ( 0.027 0.252 0.264) 0.366 7.216 ( -0.281 0.377 4.200) 4.226 8.516 ( 3.667 0.561 -1.216) 3.904 8.682 ( 0.233 -0.135 -0.470) 0.541 8.821 ( -0.560 1.117 0.575) 1.375 9.001 ( -0.671 0.968 -0.722) 1.381 9.140 ( -0.743 -2.823 2.603) 3.911 9.742 ( 4.468 0.671 -1.496) 4.760 10.624 ( -1.797 -0.174 0.606) 1.904 10.847 ( -0.723 0.105 -0.787) 1.074 10.937 ( -1.902 1.320 -3.793) 4.443 10.978 ( -1.742 1.744 0.120) 2.468 11.045 ( -2.757 -1.464 3.052) 4.366 11.185 ( -0.352 0.264 -2.200) 2.244 11.235 ( -3.114 -4.280 0.698) 5.338 11.282 ( -1.508 -3.403 4.082) 5.524 11.337 ( -2.796 3.581 1.811) 4.891 11.991 ( -2.181 1.394 -1.465) 2.974 15.234 ( -1.095 -0.144 -0.491) 1.208 15.541 ( -1.079 -0.065 -0.004) 1.081 16.312 ( -4.231 0.917 1.449) 4.565 16.475 ( 2.373 0.381 -5.223) 5.749 16.626 ( -5.285 -0.927 -3.991) 6.687 16.767 ( -3.563 3.541 -0.796) 5.085 17.565 ( 10.287 2.854 -1.254) 10.748 17.741 ( 12.345 -6.062 8.226) 16.025======================= Grid point 149 (56/116) =======================q-point: ( 0.40 0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.185 ( -0.000 8.564 14.818) 17.115 1.309 ( -0.000 17.840 3.018) 18.093 1.572 ( 0.000 0.712 -0.609) 0.937 1.629 ( 0.000 5.234 -3.524) 6.310 1.725 ( 0.000 2.721 -1.894) 3.316 1.785 ( 0.000 8.763 -2.630) 9.149 1.900 ( -0.000 3.522 1.467) 3.815 1.968 ( -0.000 15.551 7.597) 17.307 2.003 ( 0.000 1.771 -3.688) 4.091 2.198 ( 0.000 4.972 -2.172) 5.426 2.281 ( 0.000 -3.539 -0.007) 3.539 2.378 ( -0.000 0.988 0.070) 0.991 2.561 ( -0.000 -2.313 5.556) 6.018 2.601 ( 0.000 -0.714 -0.496) 0.870 2.669 ( 0.000 -0.450 -2.285) 2.329 2.832 ( 0.000 -0.482 -0.169) 0.511 2.981 ( -0.000 0.562 0.271) 0.624 3.170 ( 0.000 -1.700 -1.114) 2.032 3.299 ( 0.000 -0.571 -0.104) 0.581 3.409 ( -0.000 -1.579 0.236) 1.596 3.719 ( 0.000 3.890 -4.781) 6.164 3.939 ( -0.000 -2.060 1.806) 2.740 3.978 ( -0.000 -7.366 2.099) 7.659 4.154 ( -0.000 -1.497 1.021) 1.812 5.583 ( 0.000 -1.540 -0.904) 1.786 5.675 ( 0.000 -0.728 -2.501) 2.605 5.844 ( 0.000 1.110 -2.278) 2.534 5.882 ( -0.000 0.161 0.160) 0.227 5.932 ( 0.000 3.051 -1.992) 3.643 6.063 ( -0.000 -0.268 2.146) 2.163 6.188 ( -0.000 1.951 0.148) 1.957 6.266 ( 0.000 -5.932 -2.993) 6.645 6.724 ( -0.000 -5.548 1.105) 5.657 7.080 ( 0.000 0.179 -0.565) 0.593 7.104 ( 0.000 1.182 -0.064) 1.183 7.365 ( -0.000 -7.058 6.838) 9.827 8.504 ( 0.000 -4.472 -1.062) 4.596 8.618 ( 0.000 -2.268 -0.102) 2.270 8.868 ( -0.000 3.003 0.563) 3.056 8.952 ( -0.000 -1.501 0.334) 1.538 9.294 ( -0.000 5.812 0.977) 5.894 9.722 ( 0.000 -4.615 -2.366) 5.186 10.594 ( 0.000 0.732 -0.010) 0.732 10.767 ( 0.000 1.109 -2.373) 2.619 10.823 ( -0.000 -0.470 0.027) 0.471 10.980 ( 0.000 0.507 -0.052) 0.509 11.073 ( 0.000 5.470 -0.459) 5.489 11.177 ( 0.000 0.100 -0.183) 0.208 11.202 ( 0.000 3.438 -0.099) 3.439 11.321 ( -0.000 4.072 2.213) 4.634 11.517 ( -0.000 3.696 5.910) 6.970 11.890 ( 0.000 0.578 -1.868) 1.956 15.226 ( -0.000 1.396 0.565) 1.506 15.539 ( -0.000 1.197 0.244) 1.222 16.235 ( -0.000 0.642 1.040) 1.222 16.363 ( 0.000 -2.984 -0.671) 3.059 16.494 ( 0.000 1.767 -1.170) 2.119 16.629 ( 0.000 5.037 -2.619) 5.677 17.690 ( 0.000 -6.773 -1.904) 7.036 18.095 ( -0.000 -10.216 2.268) 10.465======================= Grid point 150 (57/116) =======================q-point: ( 0.50 0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.336 ( 3.510 6.487 11.870) 13.975 1.535 ( 6.231 13.693 1.638) 15.133 1.561 ( 0.229 -0.506 -0.138) 0.572 1.662 ( 1.115 1.040 -1.967) 2.489 1.752 ( 0.517 6.427 -3.659) 7.414 1.857 ( 0.406 5.318 -1.940) 5.676 1.952 ( 2.142 2.533 1.270) 3.552 2.034 ( 3.713 1.575 -2.367) 4.676 2.132 ( -0.420 11.360 4.951) 12.400 2.243 ( 0.839 4.959 -2.265) 5.516 2.254 ( 1.206 -3.416 -0.128) 3.625 2.377 ( -1.655 1.964 -0.460) 2.610 2.543 ( -1.663 -1.296 5.764) 6.138 2.604 ( 0.209 0.291 0.627) 0.722 2.672 ( 2.373 -1.041 -2.402) 3.534 2.868 ( 4.439 0.842 -0.324) 4.530 2.990 ( 0.520 0.153 0.279) 0.610 3.129 ( -1.464 -3.243 -1.356) 3.808 3.288 ( -0.636 -0.392 -0.814) 1.105 3.395 ( -0.128 -0.970 0.111) 0.985 3.744 ( -2.009 6.856 -1.646) 7.331 3.857 ( -4.901 -8.333 1.688) 9.814 3.943 ( 1.201 -2.201 0.533) 2.563 4.122 ( -2.122 -2.591 0.816) 3.447 5.572 ( 0.514 -1.282 -0.525) 1.478 5.652 ( -1.094 -0.346 -2.067) 2.364 5.850 ( 0.422 0.777 -2.898) 3.030 5.887 ( -0.006 0.216 1.585) 1.599 5.951 ( 0.138 2.918 -1.309) 3.201 6.071 ( 0.164 -1.337 1.728) 2.191 6.158 ( -2.427 -3.973 -0.953) 4.752 6.234 ( 1.611 -0.944 -0.575) 1.954 6.680 ( -0.032 -3.837 0.173) 3.841 7.080 ( -0.018 0.343 -0.629) 0.717 7.114 ( -0.049 0.792 0.151) 0.808 7.319 ( -0.939 -4.358 3.856) 5.894 8.460 ( -0.458 -2.840 -0.776) 2.980 8.623 ( 2.698 -2.136 -0.091) 3.442 8.871 ( -2.778 2.119 0.434) 3.521 8.956 ( 1.926 -1.231 0.516) 2.343 9.309 ( -4.091 4.188 0.509) 5.877 9.671 ( -0.781 -3.038 -1.691) 3.564 10.634 ( 3.402 1.404 0.673) 3.741 10.769 ( 0.341 -0.107 -1.983) 2.015 10.839 ( 2.185 0.272 -0.031) 2.202 10.985 ( 0.243 0.790 0.117) 0.834 11.110 ( -1.148 4.710 -1.774) 5.162 11.172 ( -0.454 0.233 -0.083) 0.517 11.252 ( 2.274 1.831 -0.953) 3.071 11.366 ( 0.750 2.073 3.369) 4.026 11.539 ( -3.466 3.383 4.704) 6.752 11.899 ( 1.417 0.030 -1.737) 2.242 15.241 ( 0.139 1.149 0.557) 1.285 15.552 ( 0.187 1.036 0.078) 1.056 16.275 ( 2.934 0.738 -0.549) 3.075 16.350 ( 2.230 -2.658 3.142) 4.681 16.536 ( 2.860 3.124 -1.894) 4.639 16.669 ( 1.434 2.137 -0.593) 2.641 17.583 ( -4.933 -5.694 -2.388) 7.903 17.959 ( -6.121 -7.885 0.414) 9.991======================= Grid point 151 (58/116) =======================q-point: ( 0.60 0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.466 ( 2.309 2.937 6.112) 7.163 1.530 ( -0.937 -1.659 -0.516) 1.974 1.689 ( 3.134 -0.193 0.466) 3.174 1.786 ( 7.207 9.405 -0.484) 11.858 1.828 ( 2.525 5.898 -2.977) 7.073 1.894 ( -0.097 5.233 -1.667) 5.493 2.025 ( 3.469 0.775 2.177) 4.168 2.097 ( 2.307 1.064 -1.085) 2.763 2.182 ( -0.711 1.876 1.423) 2.460 2.237 ( 2.149 -3.796 -0.566) 4.399 2.301 ( 0.044 0.409 -0.725) 0.834 2.399 ( 0.054 9.076 -0.216) 9.079 2.533 ( -0.837 -0.363 3.819) 3.926 2.613 ( -0.393 1.468 1.435) 2.090 2.708 ( 3.747 -0.992 -1.507) 4.159 2.964 ( 3.266 2.089 -0.518) 3.911 3.011 ( 3.042 -0.273 1.117) 3.252 3.065 ( -1.414 -3.610 -0.237) 3.884 3.271 ( -0.837 1.837 -3.919) 4.408 3.388 ( 0.028 -0.412 -0.011) 0.413 3.678 ( -7.233 -8.641 2.420) 11.525 3.761 ( -4.102 6.261 1.577) 7.650 3.950 ( 1.233 -0.914 -0.192) 1.546 4.039 ( -3.411 -4.859 -0.786) 5.989 5.572 ( 0.988 -0.859 -0.207) 1.326 5.625 ( -1.150 0.052 -1.290) 1.729 5.845 ( -0.767 0.547 -1.785) 2.018 5.899 ( 0.419 0.186 1.580) 1.645 5.988 ( 1.463 2.661 -1.342) 3.320 6.019 ( -2.868 -4.221 1.205) 5.243 6.112 ( 0.112 -1.708 -0.156) 1.719 6.255 ( 1.008 0.510 -0.097) 1.134 6.656 ( 0.476 -1.858 -0.382) 1.956 7.082 ( 0.031 0.601 -0.580) 0.836 7.117 ( -0.241 0.105 0.315) 0.410 7.282 ( -0.976 -2.236 1.523) 2.876 8.434 ( -0.110 -1.314 -0.485) 1.404 8.656 ( 3.061 -0.951 -0.138) 3.208 8.830 ( -3.362 0.296 0.064) 3.376 8.989 ( 2.759 -0.635 0.642) 2.904 9.254 ( -5.601 1.396 0.457) 5.790 9.635 ( -0.354 -1.497 -1.116) 1.900 10.713 ( 1.539 2.787 3.003) 4.377 10.771 ( 2.894 -1.146 -3.728) 4.856 10.890 ( 2.682 1.456 0.208) 3.059 11.003 ( 0.994 -0.243 0.027) 1.024 11.117 ( -1.019 3.737 -1.800) 4.271 11.175 ( -0.372 1.270 0.320) 1.361 11.286 ( 0.818 0.339 -1.126) 1.433 11.397 ( 0.594 -0.643 2.767) 2.902 11.506 ( -4.848 1.744 2.913) 5.919 11.924 ( 2.312 -0.276 -1.201) 2.620 15.254 ( 0.166 0.641 0.382) 0.765 15.564 ( 0.217 0.623 -0.081) 0.665 16.301 ( 1.077 -0.386 -0.092) 1.148 16.441 ( 7.266 0.886 4.356) 8.518 16.593 ( -0.959 4.309 -2.567) 5.107 16.745 ( 7.964 0.333 0.289) 7.977 17.410 ( -8.685 -5.439 -2.517) 10.552 17.772 ( -8.405 -5.604 -0.286) 10.106======================= Grid point 152 (59/116) =======================q-point: ( 0.70 0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.489 ( -2.633 -0.586 0.584) 2.760 1.509 ( 0.833 -0.407 0.241) 0.958 1.745 ( 2.284 -0.185 1.237) 2.604 1.878 ( 1.814 3.024 -2.295) 4.207 1.951 ( 0.309 5.992 0.165) 6.003 1.962 ( 5.158 3.477 -0.691) 6.258 2.035 ( -1.466 -2.678 -0.096) 3.054 2.133 ( 0.173 -0.121 0.379) 0.434 2.193 ( 0.876 0.327 -0.001) 0.935 2.260 ( 1.639 1.170 0.572) 2.093 2.281 ( 0.142 -0.990 -0.998) 1.413 2.490 ( 0.791 4.522 0.578) 4.626 2.528 ( -0.018 -0.828 1.190) 1.450 2.625 ( -0.288 0.723 1.024) 1.286 2.759 ( 3.346 0.178 -1.339) 3.609 2.982 ( 0.231 -0.113 -0.855) 0.893 3.022 ( -0.154 -0.886 -0.876) 1.256 3.085 ( 3.181 -1.690 6.431) 7.371 3.283 ( -1.829 7.346 -9.342) 12.024 3.386 ( -0.159 -0.091 -0.419) 0.457 3.521 ( -2.816 -5.647 4.715) 7.877 3.703 ( -6.821 -2.944 2.769) 7.928 3.946 ( -2.062 -0.910 -0.084) 2.256 3.969 ( 1.537 -1.093 -1.299) 2.290 5.588 ( 1.465 -0.070 -0.555) 1.568 5.612 ( -0.142 0.227 -0.112) 0.290 5.831 ( -0.774 0.389 -0.611) 1.060 5.907 ( -0.024 -0.510 1.514) 1.598 5.947 ( -1.541 -1.828 -0.413) 2.426 6.042 ( 1.768 2.646 -0.189) 3.188 6.096 ( -0.325 -1.685 -0.190) 1.726 6.271 ( 0.305 0.463 -0.021) 0.555 6.657 ( 0.932 -0.148 -0.508) 1.072 7.088 ( 0.049 0.836 -0.287) 0.885 7.111 ( -0.344 -0.625 0.300) 0.773 7.255 ( -0.864 -0.991 0.353) 1.361 8.428 ( 0.421 -0.199 -0.279) 0.542 8.701 ( 1.541 2.378 0.035) 2.833 8.777 ( -1.289 -2.846 -0.351) 3.144 9.033 ( 2.003 1.061 0.050) 2.267 9.171 ( -4.066 -2.086 0.841) 4.646 9.626 ( 0.567 -0.183 -0.617) 0.858 10.720 ( -1.699 0.060 1.181) 2.070 10.835 ( 3.527 1.918 -1.809) 4.403 10.946 ( 1.751 1.873 1.079) 2.782 10.996 ( -0.312 -1.014 -1.359) 1.724 11.162 ( 2.592 1.114 1.209) 3.069 11.177 ( -1.352 2.399 -0.244) 2.764 11.280 ( -1.298 1.206 -0.922) 1.997 11.383 ( -0.516 -3.812 0.887) 3.947 11.443 ( -4.134 -0.523 1.836) 4.553 11.960 ( 2.478 0.257 -1.017) 2.691 15.260 ( 0.040 0.114 0.105) 0.160 15.569 ( 0.021 0.170 -0.186) 0.253 16.325 ( 1.818 0.354 0.901) 2.060 16.560 ( -4.803 3.956 2.519) 6.713 16.603 ( 8.162 -0.136 -0.007) 8.163 16.921 ( 9.063 5.500 -3.133) 11.055 17.198 ( -8.131 -7.209 -0.287) 10.870 17.602 ( -6.225 -4.046 -0.173) 7.427======================= Grid point 153 (60/116) =======================q-point: (-0.20 0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.428 ( -5.206 0.371 2.056) 5.610 1.517 ( 1.357 -1.000 -1.130) 2.029 1.758 ( -0.581 0.369 -0.147) 0.703 1.920 ( 0.814 1.487 -0.774) 1.864 1.960 ( -3.596 -2.679 -0.593) 4.523 1.973 ( -3.633 2.417 0.195) 4.368 2.029 ( -0.156 0.645 0.612) 0.903 2.123 ( -0.013 0.080 -0.088) 0.120 2.196 ( -1.044 0.540 0.188) 1.190 2.259 ( 0.221 -0.105 -0.748) 0.787 2.319 ( 1.918 0.562 -1.099) 2.281 2.475 ( -5.127 0.067 -0.058) 5.128 2.508 ( -1.660 -1.526 0.696) 2.360 2.620 ( -0.382 -0.761 -0.593) 1.038 2.806 ( 1.601 1.787 -1.447) 2.802 2.992 ( 0.426 0.279 -0.531) 0.736 3.040 ( 3.400 1.717 -2.482) 4.546 3.152 ( 2.260 -1.429 1.741) 3.191 3.243 ( -2.720 3.215 3.747) 5.637 3.372 ( -1.198 -0.332 -0.084) 1.246 3.491 ( -5.854 -0.008 -3.538) 6.840 3.584 ( 4.929 -8.454 3.026) 10.244 3.931 ( -0.657 0.906 1.559) 1.919 3.995 ( 1.687 1.055 0.244) 2.005 5.604 ( 0.395 1.089 -0.965) 1.507 5.632 ( 2.282 -0.138 -0.046) 2.286 5.824 ( -0.155 -0.180 0.163) 0.289 5.908 ( 0.332 -0.379 1.395) 1.483 5.929 ( 0.977 -0.545 -1.181) 1.627 6.063 ( -1.544 -0.355 -0.666) 1.718 6.095 ( 1.693 0.975 0.289) 1.975 6.272 ( -0.369 0.016 -0.061) 0.375 6.677 ( 1.100 1.012 -0.392) 1.545 7.092 ( -0.588 0.030 0.106) 0.598 7.101 ( 0.264 -0.266 0.112) 0.392 7.237 ( -0.722 -0.208 0.448) 0.875 8.441 ( 1.131 0.499 -0.277) 1.267 8.709 ( -2.253 -0.353 -0.505) 2.336 8.778 ( 3.143 1.008 0.329) 3.317 9.059 ( -2.383 3.257 -1.881) 4.453 9.110 ( 1.432 -4.784 2.622) 5.641 9.645 ( 1.632 0.699 -0.473) 1.837 10.689 ( -1.880 -0.795 0.640) 2.139 10.872 ( -0.124 0.736 -1.167) 1.386 10.969 ( -0.246 0.398 0.895) 1.009 11.008 ( 1.033 2.798 -0.453) 3.017 11.141 ( -3.059 -1.474 0.566) 3.442 11.190 ( 0.539 -2.052 -1.901) 2.849 11.304 ( -0.124 3.939 1.092) 4.089 11.318 ( -1.873 -5.846 1.205) 6.256 11.388 ( -1.615 -0.208 0.754) 1.794 11.999 ( 1.547 1.556 -0.885) 2.366 15.258 ( -0.296 -0.197 -0.192) 0.404 15.566 ( -0.348 -0.085 -0.167) 0.396 16.371 ( 2.564 1.152 -0.098) 2.812 16.488 ( -5.498 -0.336 1.279) 5.654 16.724 ( 4.491 -0.969 -1.413) 4.807 16.941 ( -11.342 6.456 -0.705) 13.070 17.198 ( 13.668 -1.652 -1.560) 13.856 17.509 ( -0.582 -3.879 2.382) 4.589======================= Grid point 154 (61/116) =======================q-point: (-0.10 0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.345 ( -7.689 2.269 4.867) 9.379 1.530 ( 1.778 -0.967 -1.100) 2.303 1.741 ( -2.605 1.309 0.397) 2.942 1.851 ( -5.960 -1.667 -2.023) 6.511 1.860 ( -10.826 1.515 0.294) 10.935 1.939 ( -0.167 0.385 -1.623) 1.676 2.013 ( -3.917 2.377 1.338) 4.773 2.101 ( -2.975 -2.179 -0.747) 3.762 2.148 ( -5.967 0.173 0.862) 6.031 2.265 ( 2.144 -3.129 -0.184) 3.798 2.333 ( -0.163 0.914 -1.105) 1.443 2.376 ( -5.356 2.386 0.129) 5.865 2.488 ( -0.480 1.113 -0.849) 1.480 2.598 ( -0.421 -1.399 -1.097) 1.827 2.824 ( -1.091 2.079 -1.448) 2.758 2.982 ( -2.215 -0.328 -0.290) 2.258 3.050 ( -5.674 -3.269 -1.566) 6.733 3.135 ( 4.769 3.222 -4.114) 7.074 3.320 ( -1.919 1.035 -1.148) 2.464 3.379 ( 3.139 0.602 5.630) 6.474 3.432 ( 8.282 -6.223 4.730) 11.388 3.631 ( 4.450 -2.028 -2.854) 5.662 3.938 ( -0.139 0.262 2.288) 2.307 4.041 ( 1.537 1.675 2.352) 3.271 5.622 ( 0.671 1.412 -0.290) 1.590 5.663 ( 1.804 0.071 -2.057) 2.737 5.818 ( -0.009 -1.506 0.138) 1.512 5.899 ( -1.103 -0.157 -0.054) 1.116 5.983 ( 5.236 -0.220 0.018) 5.240 6.032 ( -0.465 -0.345 -1.731) 1.825 6.124 ( 0.567 0.607 0.698) 1.085 6.261 ( -0.542 -0.713 -0.217) 0.921 6.707 ( 1.252 1.419 -0.003) 1.892 7.076 ( -0.501 -0.951 -0.142) 1.085 7.109 ( 0.204 0.474 0.284) 0.589 7.233 ( -0.203 0.287 1.975) 2.007 8.472 ( 2.043 0.666 -0.580) 2.225 8.664 ( -0.659 -3.245 -0.446) 3.341 8.851 ( 1.411 5.320 0.672) 5.545 9.013 ( -1.823 -2.429 -0.293) 3.051 9.136 ( 1.187 1.413 1.200) 2.201 9.686 ( 2.745 0.888 -0.809) 2.996 10.652 ( -1.829 -1.039 0.626) 2.195 10.853 ( -0.943 -1.096 -0.715) 1.613 10.971 ( -1.255 2.098 -0.907) 2.607 11.036 ( -2.383 2.346 -0.325) 3.359 11.071 ( -1.550 -2.136 1.732) 3.157 11.166 ( 0.483 -2.530 -3.464) 4.317 11.233 ( -2.380 -4.737 0.542) 5.329 11.277 ( -1.783 -4.525 2.710) 5.568 11.426 ( -0.341 6.220 1.766) 6.475 12.028 ( -0.287 2.861 -0.782) 2.980 15.246 ( -0.704 -0.169 -0.371) 0.813 15.556 ( -0.710 -0.034 -0.008) 0.711 16.392 ( -4.361 -1.240 2.363) 5.113 16.426 ( 2.000 0.878 -3.717) 4.311 16.658 ( -4.320 -5.795 -4.493) 8.511 16.905 ( -5.060 9.804 2.233) 11.256 17.409 ( 11.996 2.145 -4.785) 13.092 17.535 ( 7.104 -5.449 7.657) 11.781======================= Grid point 160 (62/116) =======================q-point: ( 0.50 0.50 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.404 ( -0.000 5.418 10.514) 11.828 1.539 ( 0.000 -2.997 -0.991) 3.157 1.624 ( -0.000 13.709 1.277) 13.768 1.649 ( 0.000 -0.672 -0.345) 0.756 1.793 ( 0.000 5.958 -3.135) 6.732 1.898 ( -0.000 2.299 1.807) 2.924 1.968 ( 0.000 3.987 -1.239) 4.175 1.996 ( 0.000 0.561 -2.209) 2.279 2.195 ( 0.000 -5.144 -0.116) 5.145 2.231 ( -0.000 4.802 1.500) 5.031 2.283 ( 0.000 4.205 -0.761) 4.273 2.427 ( 0.000 6.266 -0.683) 6.303 2.587 ( -0.000 -0.604 9.142) 9.162 2.587 ( 0.000 -0.299 -0.538) 0.616 2.639 ( 0.000 0.014 -2.796) 2.796 2.825 ( 0.000 -0.107 -0.197) 0.224 2.989 ( -0.000 0.164 0.190) 0.251 3.104 ( 0.000 -3.692 -1.228) 3.891 3.288 ( 0.000 -0.321 -0.720) 0.788 3.387 ( -0.000 -0.816 0.024) 0.817 3.820 ( 0.000 -1.705 -6.314) 6.540 3.839 ( -0.000 3.008 2.744) 4.072 3.911 ( -0.000 -1.713 0.852) 1.913 4.115 ( -0.000 -3.888 0.686) 3.948 5.557 ( -0.000 -0.789 0.086) 0.794 5.655 ( 0.000 0.166 -1.182) 1.193 5.842 ( 0.000 0.898 -3.440) 3.555 5.891 ( -0.000 -0.043 1.557) 1.558 5.974 ( 0.000 2.083 -0.342) 2.111 6.070 ( -0.000 -0.346 1.733) 1.767 6.118 ( 0.000 -6.813 -1.429) 6.961 6.221 ( -0.000 1.214 0.160) 1.224 6.650 ( -0.000 -2.748 0.715) 2.839 7.079 ( 0.000 0.199 -0.651) 0.681 7.123 ( -0.000 0.736 0.041) 0.737 7.300 ( -0.000 -3.227 2.228) 3.921 8.439 ( -0.000 -2.005 0.014) 2.005 8.582 ( 0.000 -1.390 -0.009) 1.390 8.918 ( -0.000 1.657 0.716) 1.805 8.929 ( -0.000 -1.017 0.322) 1.067 9.381 ( 0.000 3.252 -1.151) 3.449 9.652 ( 0.000 -1.778 -0.528) 1.855 10.607 ( -0.000 0.622 0.081) 0.627 10.772 ( -0.000 0.447 0.093) 0.456 10.814 ( -0.000 -0.479 0.099) 0.490 10.989 ( 0.000 0.483 -0.160) 0.509 11.159 ( 0.000 4.368 -2.199) 4.891 11.176 ( 0.000 -0.063 -0.183) 0.193 11.242 ( 0.000 1.172 -1.721) 2.082 11.388 ( -0.000 1.103 4.119) 4.264 11.604 ( -0.000 2.130 0.050) 2.131 11.889 ( -0.000 0.411 0.884) 0.975 15.252 ( -0.000 0.876 0.392) 0.960 15.560 ( 0.000 0.844 -0.124) 0.853 16.250 ( -0.000 0.277 0.774) 0.822 16.316 ( -0.000 -2.787 3.709) 4.639 16.516 ( 0.000 1.239 -0.774) 1.461 16.691 ( -0.000 2.372 1.289) 2.700 17.574 ( 0.000 -3.684 -2.876) 4.674 17.944 ( 0.000 -5.353 -2.574) 5.940======================= Grid point 161 (63/116) =======================q-point: ( 0.60 0.50 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.487 ( 0.916 2.780 5.021) 5.812 1.503 ( 0.697 -3.771 -1.412) 4.087 1.655 ( 1.213 -0.115 2.971) 3.211 1.779 ( 4.165 9.317 -0.188) 10.207 1.840 ( 0.823 4.030 -2.331) 4.728 1.927 ( 2.276 0.270 2.044) 3.071 1.982 ( 0.554 1.266 -0.322) 1.419 2.047 ( 3.641 0.680 -0.259) 3.713 2.155 ( 0.424 -3.966 -0.127) 3.991 2.245 ( -1.503 1.628 -0.752) 2.340 2.304 ( -0.106 0.600 0.776) 0.987 2.473 ( -0.584 4.624 -2.352) 5.221 2.563 ( -1.478 -0.015 3.294) 3.611 2.636 ( 1.053 -0.349 -2.484) 2.720 2.648 ( 1.585 1.516 5.927) 6.320 2.881 ( 6.305 0.514 0.234) 6.331 2.992 ( 0.134 -0.128 0.247) 0.309 3.058 ( -1.329 -2.581 0.134) 2.906 3.280 ( -0.291 0.466 -1.877) 1.956 3.382 ( 0.104 -0.485 -0.048) 0.499 3.711 ( -4.839 -4.958 -3.916) 7.959 3.893 ( -2.615 8.065 -0.965) 8.533 3.913 ( 1.489 -1.144 -0.168) 1.885 4.045 ( -2.959 -5.914 0.123) 6.614 5.557 ( 0.395 -0.310 0.631) 0.807 5.646 ( -1.211 0.669 -0.202) 1.399 5.843 ( 0.362 0.781 -3.111) 3.228 5.898 ( 0.321 -0.263 1.707) 1.757 5.992 ( 0.395 1.607 -0.241) 1.673 6.031 ( -2.479 -2.949 0.263) 3.862 6.090 ( 0.898 -1.280 0.585) 1.669 6.240 ( 1.125 0.442 0.047) 1.210 6.636 ( 0.287 -1.165 0.942) 1.525 7.081 ( 0.219 0.259 -0.676) 0.757 7.125 ( -0.358 0.253 0.037) 0.440 7.277 ( -0.428 -1.892 0.614) 2.035 8.426 ( -0.102 -0.725 0.453) 0.861 8.594 ( 2.565 -0.770 0.088) 2.680 8.901 ( -3.347 0.720 0.434) 3.451 8.942 ( 2.018 -0.694 0.616) 2.221 9.358 ( -4.710 1.412 -1.814) 5.241 9.633 ( -0.750 -0.574 0.132) 0.954 10.657 ( 4.954 0.497 -0.288) 4.987 10.763 ( -1.171 0.189 1.231) 1.709 10.844 ( 3.325 0.171 0.506) 3.368 10.996 ( 0.339 0.277 -0.129) 0.456 11.154 ( -1.478 1.271 -1.775) 2.637 11.197 ( 0.324 2.515 -0.863) 2.679 11.251 ( 1.341 -0.784 -2.114) 2.623 11.408 ( -0.201 -0.123 4.194) 4.201 11.579 ( -2.974 -0.131 -4.334) 5.258 11.908 ( 0.469 0.787 3.405) 3.526 15.259 ( -0.003 0.339 0.156) 0.373 15.566 ( 0.068 0.408 -0.261) 0.490 16.284 ( 1.973 0.519 0.828) 2.202 16.335 ( 4.475 -1.961 4.533) 6.665 16.573 ( 5.590 1.765 -1.211) 5.985 16.706 ( -1.091 0.774 4.331) 4.533 17.490 ( -5.620 -2.016 -3.856) 7.107 17.845 ( -5.822 -2.703 -3.923) 7.523======================= Grid point 162 (64/116) =======================q-point: (-0.30 -0.50 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.468 ( 1.343 -3.797 -3.001) 5.022 1.520 ( -0.653 0.707 1.233) 1.564 1.707 ( 2.757 0.132 4.178) 5.007 1.871 ( 1.371 2.165 -1.038) 2.765 1.904 ( 4.395 1.248 -0.422) 4.588 1.992 ( 2.849 -4.290 0.266) 5.157 1.997 ( 0.584 3.839 0.755) 3.956 2.118 ( 4.129 -4.093 -0.030) 5.813 2.146 ( 1.970 3.209 1.575) 4.082 2.227 ( -0.899 0.172 -0.134) 0.925 2.305 ( -0.676 0.674 0.972) 1.363 2.482 ( 0.835 -0.609 -2.721) 2.911 2.549 ( -1.242 -1.329 2.317) 2.946 2.631 ( -0.018 -0.946 -1.083) 1.439 2.717 ( 2.820 1.607 3.900) 5.074 2.979 ( 0.818 0.713 -0.363) 1.144 3.006 ( 2.748 -1.034 0.763) 3.034 3.043 ( 2.029 0.664 4.122) 4.642 3.289 ( 1.809 2.674 -5.289) 6.197 3.379 ( 0.022 -0.442 -0.095) 0.453 3.564 ( -7.081 -2.507 -2.572) 7.940 3.831 ( -8.923 -2.395 -3.040) 9.726 3.931 ( 1.513 -0.016 -1.534) 2.155 3.975 ( -1.149 1.059 1.449) 2.131 5.569 ( 0.859 0.247 0.916) 1.280 5.632 ( -1.362 0.991 0.587) 1.784 5.841 ( -0.385 0.500 -1.980) 2.078 5.906 ( 0.306 -0.454 1.580) 1.672 5.965 ( -2.449 -0.532 -1.095) 2.734 6.030 ( 1.645 0.960 0.820) 2.074 6.091 ( -0.054 -0.281 0.457) 0.539 6.261 ( 1.084 0.038 0.045) 1.085 6.645 ( 0.774 0.367 0.983) 1.304 7.087 ( 0.434 0.305 -0.528) 0.748 7.117 ( -0.684 -0.258 0.027) 0.732 7.257 ( -0.465 -0.895 -0.432) 1.097 8.426 ( 0.045 0.370 0.623) 0.726 8.647 ( 4.072 0.146 0.227) 4.081 8.835 ( -4.827 -0.043 0.200) 4.831 8.984 ( 3.353 -0.282 0.679) 3.432 9.257 ( -6.778 -0.560 -2.146) 7.131 9.625 ( -0.274 0.655 0.581) 0.918 10.719 ( 1.644 -1.930 -2.589) 3.623 10.787 ( 3.181 2.390 3.351) 5.202 10.914 ( 3.951 0.314 1.670) 4.301 10.994 ( -0.415 -0.209 -1.009) 1.111 11.150 ( 0.080 0.602 0.345) 0.699 11.211 ( -0.564 0.254 -0.557) 0.832 11.262 ( 1.984 0.511 -2.437) 3.184 11.395 ( -1.999 -1.554 2.331) 3.442 11.492 ( -3.851 -2.338 -4.915) 6.667 11.940 ( 1.109 1.135 2.983) 3.378 15.260 ( 0.028 -0.177 -0.003) 0.179 15.568 ( 0.095 -0.052 -0.306) 0.324 16.317 ( 0.896 1.038 3.175) 3.459 16.446 ( 8.626 -2.118 0.321) 8.888 16.666 ( -1.535 3.549 2.980) 4.882 16.753 ( 9.713 -1.554 3.051) 10.299 17.338 ( -9.970 0.573 -3.611) 10.619 17.693 ( -8.478 -0.815 -4.723) 9.739======================= Grid point 163 (65/116) =======================q-point: (-0.20 -0.50 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.456 ( 2.349 -3.099 -3.164) 5.013 1.504 ( -2.212 0.557 1.107) 2.535 1.752 ( 1.571 -0.171 1.078) 1.913 1.911 ( 1.561 0.808 0.918) 1.983 1.955 ( -0.567 -4.816 0.504) 4.876 1.973 ( 4.521 -2.568 0.196) 5.203 2.034 ( 0.068 1.372 -0.379) 1.425 2.124 ( 0.526 -0.300 -0.249) 0.655 2.197 ( 1.198 -0.183 0.150) 1.221 2.252 ( 0.111 -0.097 0.396) 0.422 2.307 ( 0.369 1.552 1.282) 2.046 2.476 ( 1.673 -4.515 -0.309) 4.825 2.514 ( -0.333 -2.420 -0.415) 2.478 2.615 ( -0.451 -1.205 0.324) 1.327 2.790 ( 2.568 2.090 1.577) 3.668 2.988 ( 0.218 0.803 0.104) 0.839 3.027 ( 0.523 2.441 0.311) 2.516 3.108 ( 2.511 -1.422 6.699) 7.294 3.339 ( -1.942 6.051 -11.586) 13.214 3.371 ( 0.649 -1.884 0.181) 2.001 3.450 ( -0.359 -5.506 4.626) 7.200 3.620 ( -10.045 -1.840 -4.078) 10.996 3.945 ( 0.400 0.410 -1.040) 1.187 3.994 ( 0.291 2.886 0.646) 2.972 5.596 ( 1.430 0.903 0.568) 1.784 5.627 ( -0.748 1.122 0.929) 1.638 5.829 ( -0.699 -0.091 -0.734) 1.017 5.909 ( -0.061 -0.327 1.484) 1.521 5.930 ( -1.572 0.957 -1.631) 2.459 6.055 ( 0.918 -1.881 0.877) 2.269 6.097 ( 0.173 2.112 -0.147) 2.124 6.272 ( 0.254 -0.369 0.063) 0.452 6.672 ( 1.008 1.394 0.693) 1.855 7.093 ( 0.061 -0.663 0.016) 0.666 7.103 ( -0.371 0.314 -0.256) 0.549 7.243 ( -0.289 -0.218 -0.672) 0.763 8.437 ( 0.303 1.055 0.496) 1.205 8.704 ( 1.002 -2.224 0.440) 2.478 8.781 ( -0.550 3.355 -0.168) 3.404 9.043 ( 3.455 -0.708 1.282) 3.752 9.136 ( -5.428 -0.557 -2.483) 5.995 9.639 ( 0.352 1.532 0.595) 1.680 10.697 ( -0.604 -1.929 -0.927) 2.224 10.862 ( 1.748 0.342 0.807) 1.956 10.962 ( 1.650 -0.552 1.945) 2.609 11.010 ( 1.898 2.529 -0.380) 3.185 11.145 ( 0.012 -2.794 -0.226) 2.803 11.177 ( -1.982 -2.053 0.394) 2.881 11.302 ( -0.422 -1.529 0.850) 1.799 11.343 ( -1.804 0.863 -2.957) 3.570 11.400 ( -1.195 -2.050 -1.641) 2.885 11.987 ( 1.988 1.982 1.380) 3.128 15.257 ( -0.014 -0.438 -0.051) 0.441 15.566 ( 0.029 -0.306 -0.220) 0.378 16.358 ( 1.194 1.827 2.609) 3.402 16.505 ( 1.736 -5.023 -1.970) 5.667 16.684 ( -0.136 1.158 6.010) 6.122 16.942 ( 13.320 -3.236 -0.724) 13.726 17.192 ( -9.995 8.410 -0.461) 13.070 17.545 ( -6.445 -0.157 -4.529) 7.878======================= Grid point 164 (66/116) =======================q-point: (-0.10 0.50 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.460 ( -0.169 -0.292 -0.000) 0.337 1.476 ( -0.403 -0.698 0.000) 0.806 1.767 ( 0.174 0.302 0.000) 0.349 1.889 ( -2.207 -3.822 -0.000) 4.413 1.931 ( -0.004 -0.008 -0.000) 0.009 1.996 ( -0.537 -0.930 -0.000) 1.073 2.043 ( 0.356 0.617 -0.000) 0.712 2.124 ( -0.206 -0.358 -0.000) 0.413 2.178 ( -3.200 -5.543 0.000) 6.401 2.217 ( 0.160 0.276 -0.000) 0.319 2.342 ( 0.820 1.421 -0.000) 1.641 2.450 ( -0.785 -1.359 0.000) 1.570 2.502 ( -0.011 -0.018 -0.000) 0.021 2.595 ( -0.781 -1.354 -0.000) 1.563 2.840 ( 0.798 1.382 -0.000) 1.596 2.996 ( 0.056 0.097 -0.000) 0.112 3.080 ( 2.007 3.477 -0.000) 4.014 3.123 ( -2.370 -4.105 0.000) 4.740 3.275 ( -0.506 -0.877 0.000) 1.013 3.347 ( -1.070 -1.853 -0.000) 2.139 3.398 ( -1.406 -2.435 -0.000) 2.812 3.575 ( 1.767 3.060 -0.000) 3.533 3.945 ( -0.152 -0.264 -0.000) 0.305 4.040 ( 1.693 2.933 -0.000) 3.387 5.633 ( 1.128 1.954 0.000) 2.257 5.634 ( 0.323 0.559 -0.000) 0.646 5.812 ( -0.636 -1.101 -0.000) 1.272 5.907 ( -0.293 -0.508 0.000) 0.587 5.925 ( 0.692 1.198 -0.000) 1.384 6.041 ( -0.621 -1.075 -0.000) 1.242 6.123 ( 0.629 1.090 0.000) 1.258 6.263 ( -0.507 -0.878 0.000) 1.014 6.704 ( 0.943 1.633 -0.000) 1.885 7.076 ( -0.626 -1.085 -0.000) 1.252 7.110 ( 0.297 0.514 0.000) 0.594 7.240 ( 0.075 0.130 -0.000) 0.150 8.457 ( 0.691 1.197 -0.000) 1.382 8.652 ( -1.867 -3.234 0.000) 3.735 8.867 ( 3.267 5.659 -0.000) 6.534 9.015 ( -2.382 -4.125 -0.000) 4.763 9.135 ( 2.027 3.512 -0.000) 4.055 9.666 ( 0.960 1.663 -0.000) 1.921 10.663 ( -1.065 -1.845 -0.000) 2.131 10.854 ( -0.941 -1.630 0.000) 1.882 10.996 ( 0.714 1.237 0.000) 1.428 11.059 ( 1.008 1.745 -0.000) 2.015 11.104 ( -1.818 -3.149 -0.000) 3.636 11.114 ( -1.635 -2.832 0.000) 3.270 11.232 ( -2.115 -3.663 -0.000) 4.229 11.274 ( -2.486 -4.305 0.000) 4.971 11.462 ( 2.883 4.994 0.000) 5.767 12.044 ( 1.590 2.754 -0.000) 3.180 15.251 ( -0.214 -0.371 -0.000) 0.428 15.562 ( -0.145 -0.252 -0.000) 0.291 16.402 ( 1.208 2.092 -0.000) 2.416 16.435 ( -2.781 -4.817 0.000) 5.562 16.652 ( -3.025 -5.239 0.000) 6.050 17.059 ( 1.776 3.076 0.000) 3.551 17.243 ( 4.700 8.140 -0.000) 9.399 17.472 ( -0.428 -0.741 -0.000) 0.856======================= Grid point 172 (67/116) =======================q-point: (-0.40 -0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.437 ( 0.000 -6.609 -2.589) 7.098 1.518 ( -0.000 2.032 3.117) 3.721 1.664 ( -0.000 0.679 5.252) 5.296 1.819 ( 0.000 5.278 -0.907) 5.356 1.856 ( 0.000 1.642 -1.413) 2.166 1.858 ( -0.000 -7.456 2.475) 7.857 2.007 ( -0.000 1.215 1.186) 1.698 2.024 ( 0.000 1.133 -0.179) 1.147 2.133 ( -0.000 0.406 0.148) 0.432 2.256 ( 0.000 -0.740 -2.127) 2.252 2.321 ( -0.000 0.868 2.463) 2.611 2.484 ( 0.000 -0.344 -4.082) 4.096 2.583 ( 0.000 0.242 -0.466) 0.525 2.603 ( -0.000 -3.559 2.937) 4.614 2.680 ( -0.000 1.629 5.842) 6.065 2.825 ( -0.000 0.143 0.017) 0.144 2.991 ( -0.000 -0.084 0.095) 0.127 3.064 ( -0.000 1.047 1.616) 1.926 3.279 ( 0.000 0.239 -1.433) 1.453 3.378 ( 0.000 -0.105 -0.232) 0.255 3.708 ( 0.000 -0.203 -7.802) 7.805 3.892 ( -0.000 -0.566 0.041) 0.568 3.976 ( 0.000 5.958 -4.358) 7.381 4.010 ( -0.000 -6.474 1.416) 6.627 5.556 ( -0.000 0.196 1.278) 1.293 5.668 ( -0.000 1.038 1.293) 1.658 5.837 ( 0.000 1.158 -3.583) 3.765 5.897 ( -0.000 -0.551 1.541) 1.636 5.998 ( -0.000 0.086 0.334) 0.345 6.043 ( 0.000 0.763 -0.463) 0.893 6.073 ( -0.000 -0.586 1.574) 1.680 6.232 ( -0.000 -0.082 0.023) 0.085 6.632 ( -0.000 -0.067 1.710) 1.711 7.078 ( 0.000 0.209 -0.727) 0.757 7.130 ( 0.000 -0.047 -0.131) 0.139 7.265 ( 0.000 -1.279 -0.609) 1.416 8.427 ( -0.000 0.225 1.198) 1.219 8.570 ( -0.000 0.039 0.190) 0.194 8.920 ( -0.000 -0.131 0.216) 0.253 8.937 ( -0.000 -0.257 0.929) 0.964 9.399 ( 0.000 0.112 -3.043) 3.045 9.642 ( -0.000 0.393 0.936) 1.015 10.615 ( -0.000 -0.001 0.178) 0.178 10.790 ( -0.000 0.499 2.753) 2.798 10.809 ( -0.000 -0.029 0.130) 0.133 10.993 ( 0.000 0.037 -0.240) 0.242 11.174 ( 0.000 0.065 -0.165) 0.178 11.202 ( 0.000 2.348 -3.961) 4.605 11.221 ( 0.000 -1.738 -2.705) 3.215 11.423 ( -0.000 -0.885 5.467) 5.538 11.567 ( 0.000 -2.020 -9.699) 9.907 11.933 ( -0.000 0.896 6.604) 6.664 15.260 ( 0.000 -0.174 -0.021) 0.175 15.566 ( 0.000 -0.035 -0.337) 0.339 16.255 ( -0.000 -0.327 0.596) 0.680 16.319 ( -0.000 -0.285 6.313) 6.320 16.527 ( 0.000 0.347 -0.467) 0.582 16.744 ( -0.000 0.378 6.841) 6.852 17.511 ( 0.000 0.016 -5.846) 5.846 17.870 ( 0.000 0.493 -5.473) 5.495======================= Grid point 173 (68/116) =======================q-point: (-0.30 -0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.373 ( 1.887 -7.679 -3.487) 8.642 1.539 ( -0.192 1.132 0.843) 1.425 1.695 ( 0.892 0.162 4.891) 4.974 1.802 ( 4.566 -10.473 2.068) 11.611 1.864 ( 0.946 0.332 0.253) 1.033 1.887 ( 3.428 -0.837 -1.379) 3.788 2.006 ( -0.511 -1.770 1.747) 2.539 2.057 ( 2.698 1.486 0.604) 3.139 2.162 ( 0.436 3.086 0.395) 3.141 2.228 ( -0.112 -2.340 -1.605) 2.840 2.328 ( -0.570 0.182 2.305) 2.381 2.451 ( -0.436 -2.764 -3.501) 4.482 2.540 ( -1.417 -5.862 1.582) 6.234 2.604 ( 1.423 -0.365 -0.853) 1.699 2.720 ( 0.929 0.877 6.888) 7.006 2.887 ( 6.716 -0.203 0.788) 6.765 2.990 ( 0.022 -0.116 0.090) 0.149 3.084 ( -1.463 3.773 2.815) 4.929 3.278 ( 0.081 0.668 -1.907) 2.022 3.378 ( -0.003 0.250 -0.445) 0.511 3.657 ( -4.948 4.057 -8.247) 10.438 3.878 ( -3.311 -5.270 -1.707) 6.453 3.912 ( -0.045 -1.366 -2.064) 2.475 4.020 ( -0.920 4.135 -1.589) 4.524 5.568 ( 0.356 0.674 1.683) 1.848 5.671 ( -1.368 1.086 2.086) 2.721 5.840 ( 0.267 1.117 -3.072) 3.280 5.899 ( 0.395 -0.783 1.225) 1.507 5.995 ( -0.504 0.124 0.057) 0.522 6.039 ( -1.792 1.941 1.102) 2.862 6.091 ( 0.742 1.244 0.560) 1.553 6.240 ( 1.244 -0.398 0.071) 1.309 6.647 ( 0.406 1.083 1.885) 2.212 7.081 ( 0.312 0.208 -0.663) 0.761 7.123 ( -0.443 -0.411 -0.175) 0.629 7.251 ( -0.147 -0.672 -1.674) 1.810 8.438 ( -0.132 1.275 1.497) 1.971 8.597 ( 2.626 0.855 0.299) 2.778 8.902 ( -3.413 -1.006 0.643) 3.616 8.940 ( 2.026 0.197 0.424) 2.080 9.337 ( -4.927 -1.653 -3.719) 6.391 9.649 ( -0.638 1.654 1.594) 2.384 10.646 ( 3.341 -0.920 -0.898) 3.580 10.793 ( 0.092 1.021 2.977) 3.148 10.855 ( 3.730 0.118 2.067) 4.266 10.991 ( -0.138 -0.501 -0.635) 0.821 11.163 ( -0.655 0.757 -0.631) 1.184 11.191 ( 0.015 -3.246 -2.039) 3.833 11.230 ( 2.417 1.470 -3.377) 4.405 11.417 ( -1.373 -2.272 4.474) 5.202 11.489 ( -2.100 -2.942 -10.414) 11.024 11.958 ( -0.214 0.281 5.969) 5.979 15.256 ( 0.004 -0.629 -0.012) 0.629 15.563 ( 0.065 -0.476 -0.322) 0.578 16.298 ( 4.961 -0.329 -0.158) 4.974 16.350 ( 0.724 0.621 6.852) 6.918 16.582 ( 6.617 -0.154 -0.564) 6.643 16.754 ( -1.727 -0.955 9.224) 9.433 17.459 ( -4.750 2.800 -6.541) 8.555 17.812 ( -6.463 2.871 -6.366) 9.516======================= Grid point 174 (69/116) =======================q-point: (-0.20 -0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.338 ( 4.214 -7.153 -4.607) 9.495 1.540 ( -1.000 0.930 0.467) 1.443 1.720 ( 1.921 -1.795 1.514) 3.034 1.816 ( 7.353 -9.549 2.188) 12.249 1.882 ( 1.730 -4.516 2.241) 5.330 1.911 ( 2.231 -1.028 0.040) 2.456 1.995 ( 1.382 -2.133 -0.438) 2.579 2.117 ( 2.190 0.720 0.698) 2.409 2.151 ( 0.922 -5.589 -1.425) 5.841 2.253 ( 1.903 3.054 0.759) 3.677 2.328 ( 0.020 -0.410 1.581) 1.633 2.392 ( -0.154 -6.648 -1.143) 6.748 2.486 ( -0.251 -2.269 0.523) 2.342 2.613 ( -0.004 -0.573 0.468) 0.739 2.772 ( 2.190 0.537 4.259) 4.819 2.982 ( 1.664 -1.827 0.527) 2.526 3.019 ( 5.843 0.276 2.540) 6.378 3.098 ( -2.273 3.030 3.313) 5.032 3.288 ( 1.732 0.515 -2.476) 3.066 3.379 ( -0.163 0.769 -1.128) 1.374 3.567 ( -8.886 5.790 -7.351) 12.905 3.724 ( -6.876 -3.419 -1.385) 7.803 3.928 ( 1.254 0.675 -2.145) 2.575 4.029 ( -0.961 2.868 -1.982) 3.616 5.592 ( 0.759 1.158 1.597) 2.113 5.664 ( -1.510 1.200 2.066) 2.827 5.839 ( -0.616 0.569 -1.703) 1.898 5.900 ( 0.447 -1.032 0.622) 1.285 5.987 ( -1.688 2.394 -0.366) 2.952 6.034 ( -0.611 0.016 1.934) 2.028 6.112 ( 0.013 1.731 -0.259) 1.751 6.259 ( 0.941 -0.114 0.283) 0.989 6.676 ( 0.714 1.813 1.359) 2.375 7.086 ( 0.276 -0.165 -0.301) 0.440 7.110 ( -0.483 -0.279 -0.279) 0.623 7.239 ( 0.011 -0.203 -2.207) 2.216 8.455 ( -0.311 1.995 1.307) 2.405 8.663 ( 3.316 1.100 0.530) 3.534 8.829 ( -3.445 -0.553 0.077) 3.490 8.990 ( 3.166 0.360 0.771) 3.279 9.208 ( -5.996 -2.260 -3.702) 7.400 9.665 ( -0.595 2.679 1.653) 3.203 10.666 ( 1.306 -2.013 -1.622) 2.897 10.838 ( 2.157 0.787 2.167) 3.157 10.927 ( 3.160 -0.863 4.205) 5.330 10.986 ( 1.468 0.363 -1.819) 2.365 11.131 ( -1.456 -3.567 -1.457) 4.119 11.176 ( 0.356 -0.611 1.278) 1.461 11.288 ( 3.095 1.451 -1.831) 3.877 11.357 ( -2.547 -3.258 -1.653) 4.454 11.391 ( -2.577 -3.168 -5.008) 6.462 11.981 ( 1.136 0.421 3.409) 3.618 15.250 ( 0.134 -0.810 0.156) 0.835 15.558 ( 0.210 -0.698 -0.203) 0.757 16.373 ( 3.106 0.515 0.251) 3.159 16.396 ( 2.585 -1.164 3.842) 4.775 16.708 ( 6.486 -5.699 4.476) 9.725 16.746 ( 1.760 1.826 3.694) 4.480 17.395 ( -6.051 7.549 -2.752) 10.059 17.682 ( -10.047 4.066 -7.534) 13.200======================= Grid point 183 (70/116) =======================q-point: (-0.30 -0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.258 ( 0.000 -10.401 -2.789) 10.768 1.553 ( -0.000 1.120 0.195) 1.137 1.632 ( -0.000 -15.800 2.172) 15.949 1.705 ( -0.000 -0.510 3.732) 3.766 1.849 ( 0.000 -1.501 -2.683) 3.075 1.849 ( -0.000 -2.289 2.726) 3.560 2.001 ( -0.000 -3.456 1.654) 3.832 2.031 ( -0.000 -0.633 1.017) 1.198 2.163 ( 0.000 -8.630 -3.671) 9.378 2.202 ( -0.000 4.816 0.477) 4.840 2.323 ( -0.000 -3.722 1.944) 4.199 2.414 ( 0.000 -3.979 -2.037) 4.470 2.518 ( -0.000 -2.172 1.590) 2.692 2.590 ( 0.000 0.697 -0.403) 0.805 2.740 ( -0.000 -0.506 7.372) 7.390 2.829 ( -0.000 0.197 0.001) 0.197 2.988 ( -0.000 -0.312 0.061) 0.317 3.151 ( -0.000 4.448 4.237) 6.143 3.281 ( 0.000 0.900 -1.200) 1.500 3.381 ( 0.000 0.691 -0.532) 0.872 3.727 ( 0.000 7.988 -10.093) 12.871 3.855 ( 0.000 -6.304 -1.621) 6.509 3.890 ( 0.000 0.569 -0.736) 0.931 4.054 ( 0.000 3.438 -4.268) 5.481 5.580 ( -0.000 0.998 2.087) 2.313 5.701 ( -0.000 0.692 2.933) 3.013 5.838 ( 0.000 1.470 -3.510) 3.805 5.890 ( -0.000 -0.999 0.838) 1.304 5.995 ( -0.000 -0.849 1.413) 1.648 6.070 ( -0.000 -0.884 1.779) 1.987 6.135 ( -0.000 8.545 0.008) 8.545 6.219 ( -0.000 -1.281 0.014) 1.281 6.664 ( -0.000 1.791 1.968) 2.661 7.078 ( 0.000 0.233 -0.716) 0.753 7.121 ( 0.000 -0.660 -0.152) 0.677 7.239 ( 0.000 -0.350 -3.062) 3.082 8.463 ( -0.000 2.403 2.056) 3.163 8.585 ( -0.000 1.399 0.311) 1.433 8.920 ( -0.000 -2.227 1.007) 2.444 8.928 ( -0.000 0.805 0.121) 0.814 9.343 ( 0.000 -3.181 -4.551) 5.553 9.682 ( -0.000 2.875 2.256) 3.654 10.609 ( -0.000 -0.648 0.201) 0.678 10.814 ( -0.000 0.441 0.103) 0.453 10.826 ( -0.000 0.355 5.110) 5.122 10.987 ( 0.000 -0.414 -0.259) 0.488 11.146 ( 0.000 -3.769 -3.489) 5.136 11.176 ( 0.000 0.188 -0.130) 0.228 11.194 ( 0.000 -0.089 -4.589) 4.589 11.414 ( -0.000 -4.743 2.429) 5.329 11.446 ( 0.000 -1.561 -9.121) 9.254 11.977 ( -0.000 -1.280 6.142) 6.274 15.248 ( -0.000 -1.024 0.092) 1.028 15.555 ( 0.000 -0.878 -0.272) 0.919 16.246 ( -0.000 -0.945 0.565) 1.100 16.390 ( -0.000 2.511 8.064) 8.446 16.523 ( 0.000 -0.535 -0.340) 0.634 16.784 ( -0.000 -2.920 10.050) 10.465 17.508 ( 0.000 5.332 -8.067) 9.670 17.887 ( 0.000 5.586 -7.114) 9.045======================= Grid point 184 (71/116) =======================q-point: (-0.20 -0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.170 ( 3.396 -11.252 -3.429) 12.243 1.541 ( 6.433 -15.571 2.052) 16.972 1.561 ( 0.323 -0.231 -0.105) 0.411 1.711 ( 1.183 -2.148 2.208) 3.300 1.819 ( 0.678 -4.853 0.141) 4.902 1.853 ( 2.522 -3.707 1.112) 4.619 1.962 ( 0.096 -4.234 0.388) 4.253 2.019 ( 2.435 -10.717 -2.734) 11.325 2.080 ( 1.451 -3.908 0.035) 4.168 2.258 ( 1.281 3.628 0.310) 3.860 2.288 ( 0.764 -5.104 2.143) 5.588 2.371 ( -1.184 -1.823 -1.119) 2.445 2.502 ( -1.586 0.648 1.428) 2.230 2.606 ( 0.754 0.428 -0.146) 0.880 2.759 ( 0.957 -1.400 5.130) 5.404 2.878 ( 5.250 -1.248 0.454) 5.416 2.989 ( 0.646 -0.237 0.191) 0.714 3.188 ( -1.937 3.225 5.905) 7.002 3.284 ( -0.245 1.026 -1.036) 1.479 3.386 ( -0.184 1.015 -0.731) 1.264 3.725 ( -5.603 7.587 -11.745) 15.063 3.784 ( -3.139 -0.263 2.353) 3.932 3.908 ( 1.266 0.927 -1.656) 2.282 4.058 ( -0.944 2.454 -4.818) 5.489 5.601 ( 0.365 1.290 2.046) 2.446 5.705 ( -1.236 0.692 2.507) 2.880 5.844 ( 0.214 1.233 -2.536) 2.828 5.885 ( 0.275 -1.086 0.131) 1.128 5.987 ( -0.038 -1.672 1.746) 2.417 6.073 ( 0.377 0.301 1.954) 2.013 6.164 ( -3.183 3.636 -0.339) 4.844 6.252 ( 1.319 3.874 0.855) 4.181 6.691 ( 0.305 2.116 1.227) 2.465 7.080 ( 0.230 0.135 -0.554) 0.615 7.111 ( -0.308 -0.609 -0.047) 0.684 7.225 ( 0.122 -0.052 -4.104) 4.106 8.493 ( -0.562 3.301 2.027) 3.914 8.627 ( 2.842 2.050 0.316) 3.519 8.871 ( -3.001 -2.707 0.656) 4.095 8.955 ( 2.058 1.092 0.348) 2.356 9.252 ( -4.358 -4.093 -4.526) 7.498 9.716 ( -0.839 4.010 2.418) 4.757 10.620 ( 1.656 -1.186 -0.521) 2.102 10.825 ( 0.972 0.597 1.303) 1.731 10.879 ( 3.378 -0.337 5.372) 6.354 10.974 ( -0.633 -0.631 -0.928) 1.288 11.097 ( -0.121 -4.528 -2.919) 5.389 11.173 ( 0.406 0.547 -0.480) 0.833 11.217 ( 4.134 -0.507 -3.202) 5.254 11.343 ( -1.585 -4.778 -4.900) 7.025 11.397 ( -2.383 -2.715 -1.583) 3.944 11.978 ( 0.183 -1.976 4.332) 4.765 15.239 ( 0.152 -1.159 0.295) 1.206 15.546 ( 0.183 -1.055 -0.158) 1.082 16.274 ( 4.001 -1.659 -0.115) 4.333 16.440 ( -0.525 2.929 7.628) 8.188 16.565 ( 5.624 -1.407 0.447) 5.815 16.768 ( -1.070 -4.367 8.303) 9.442 17.525 ( -2.689 8.732 -5.154) 10.490 17.860 ( -7.362 7.021 -8.235) 13.088======================= Grid point 194 (72/116) =======================q-point: (-0.20 -0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.012 ( 0.000 -14.102 -1.743) 14.209 1.308 ( -0.000 -20.144 2.681) 20.321 1.557 ( 0.000 -2.754 -1.270) 3.033 1.674 ( -0.000 -5.529 0.703) 5.573 1.757 ( 0.000 -11.986 -0.760) 12.010 1.766 ( 0.000 -4.316 -3.771) 5.732 1.882 ( -0.000 -6.917 0.716) 6.954 1.923 ( -0.000 -6.298 2.920) 6.942 2.038 ( 0.000 -3.124 -0.588) 3.179 2.240 ( -0.000 -4.644 2.367) 5.212 2.283 ( -0.000 3.257 0.157) 3.260 2.368 ( 0.000 -0.694 -0.625) 0.934 2.530 ( -0.000 0.905 0.494) 1.031 2.603 ( 0.000 0.985 -0.420) 1.070 2.746 ( -0.000 -2.807 3.973) 4.865 2.833 ( 0.000 0.449 -0.236) 0.507 2.979 ( -0.000 -0.699 0.084) 0.705 3.240 ( -0.000 -0.408 6.837) 6.849 3.295 ( 0.000 1.050 -0.446) 1.141 3.399 ( 0.000 1.679 -0.577) 1.775 3.799 ( 0.000 7.060 -8.720) 11.220 3.846 ( -0.000 4.979 2.140) 5.420 3.900 ( 0.000 1.034 -0.969) 1.417 4.075 ( 0.000 3.195 -6.346) 7.105 5.617 ( -0.000 1.304 2.128) 2.496 5.729 ( -0.000 0.422 2.332) 2.370 5.841 ( 0.000 0.717 -2.331) 2.439 5.874 ( 0.000 -0.279 -1.160) 1.193 5.983 ( -0.000 -1.654 1.962) 2.566 6.064 ( -0.000 -1.135 2.283) 2.549 6.188 ( -0.000 -1.885 0.152) 1.891 6.334 ( -0.000 10.864 2.434) 11.133 6.712 ( -0.000 2.048 0.346) 2.077 7.078 ( 0.000 0.268 -0.621) 0.676 7.108 ( -0.000 -0.602 0.345) 0.694 7.208 ( 0.000 0.190 -6.008) 6.011 8.544 ( -0.000 4.592 2.293) 5.132 8.622 ( -0.000 2.148 0.265) 2.165 8.870 ( -0.000 -3.664 0.865) 3.764 8.950 ( -0.000 1.391 0.108) 1.396 9.231 ( 0.000 -5.063 -4.576) 6.825 9.777 ( -0.000 5.279 2.615) 5.891 10.596 ( -0.000 -0.787 0.134) 0.798 10.824 ( -0.000 0.462 0.039) 0.463 10.865 ( -0.000 -0.706 6.813) 6.850 10.977 ( 0.000 -0.454 -0.216) 0.503 11.040 ( 0.000 -4.817 -3.241) 5.806 11.146 ( 0.000 -1.463 -4.512) 4.743 11.178 ( 0.000 0.014 -0.091) 0.092 11.294 ( 0.000 -4.494 -5.120) 6.813 11.386 ( 0.000 -3.471 -1.358) 3.728 11.964 ( -0.000 -3.515 3.889) 5.242 15.227 ( -0.000 -1.298 0.373) 1.351 15.533 ( 0.000 -1.193 -0.095) 1.196 16.229 ( -0.000 -1.342 0.692) 1.510 16.505 ( 0.000 -1.050 -0.439) 1.138 16.506 ( -0.000 3.197 8.857) 9.417 16.748 ( -0.000 -6.977 6.969) 9.861 17.625 ( 0.000 11.173 -3.189) 11.619 17.968 ( 0.000 8.456 -9.776) 12.926======================= Grid point 229 (73/116) =======================q-point: ( 0.20 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.387 ( -0.000 0.000 20.139) 20.139 0.387 ( -0.000 0.000 20.139) 20.139 0.705 ( -0.000 0.000 37.508) 37.508 1.387 ( 0.000 -0.000 -11.581) 11.581 1.387 ( 0.000 -0.000 -11.581) 11.581 1.679 ( -0.000 0.000 1.950) 1.950 1.765 ( -0.000 0.000 5.129) 5.129 1.765 ( -0.000 0.000 5.129) 5.129 1.915 ( 0.000 -0.000 -2.151) 2.151 2.175 ( 0.000 -0.000 -5.241) 5.241 2.346 ( 0.000 -0.000 -0.209) 0.209 2.346 ( 0.000 -0.000 -0.209) 0.209 2.635 ( 0.000 -0.000 -0.403) 0.403 2.635 ( 0.000 -0.000 -0.403) 0.403 2.886 ( 0.000 -0.000 -0.399) 0.399 2.886 ( 0.000 -0.000 -0.399) 0.399 2.916 ( -0.000 0.000 0.812) 0.812 3.308 ( -0.000 0.000 0.078) 0.078 3.316 ( 0.000 -0.000 -0.152) 0.152 3.485 ( -0.000 0.000 0.285) 0.285 3.485 ( -0.000 0.000 0.285) 0.285 3.986 ( -0.000 0.000 3.459) 3.459 3.986 ( -0.000 0.000 3.459) 3.459 4.261 ( 0.000 -0.000 -10.183) 10.183 5.677 ( -0.000 0.000 0.011) 0.011 5.677 ( 0.000 0.000 0.011) 0.011 5.797 ( -0.000 0.000 0.192) 0.192 5.849 ( 0.000 -0.000 -4.643) 4.643 5.849 ( 0.000 -0.000 -4.643) 4.643 6.078 ( -0.000 0.000 3.414) 3.414 6.078 ( -0.000 0.000 3.414) 3.414 6.116 ( 0.000 -0.000 -0.246) 0.246 6.934 ( -0.000 0.000 14.782) 14.782 7.074 ( 0.000 -0.000 -0.954) 0.954 7.074 ( 0.000 -0.000 -0.954) 0.954 8.193 ( 0.000 -0.000 -11.219) 11.219 8.711 ( -0.000 0.000 0.164) 0.164 8.711 ( -0.000 0.000 0.164) 0.164 8.852 ( -0.000 0.000 4.482) 4.482 9.011 ( -0.000 0.000 0.226) 0.226 9.011 ( -0.000 0.000 0.226) 0.226 10.081 ( 0.000 -0.000 -1.728) 1.728 10.576 ( -0.000 0.000 0.030) 0.030 10.576 ( -0.000 0.000 0.030) 0.030 10.829 ( 0.000 -0.000 -0.069) 0.069 10.829 ( 0.000 -0.000 -0.069) 0.069 10.971 ( -0.000 0.000 0.032) 0.032 10.971 ( -0.000 0.000 0.032) 0.032 11.160 ( -0.000 0.000 0.756) 0.756 11.162 ( 0.000 -0.000 -0.280) 0.280 11.162 ( 0.000 -0.000 -0.280) 0.280 11.963 ( 0.000 -0.000 -0.412) 0.412 15.175 ( 0.000 -0.000 -0.399) 0.399 15.503 ( -0.000 0.000 0.799) 0.799 16.207 ( -0.000 0.000 2.158) 2.158 16.207 ( -0.000 0.000 2.158) 2.158 16.428 ( 0.000 -0.000 -2.380) 2.380 16.428 ( 0.000 -0.000 -2.380) 2.380 17.972 ( -0.000 0.000 0.695) 0.695 18.664 ( -0.000 0.000 0.142) 0.142======================= Grid point 230 (74/116) =======================q-point: ( 0.30 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.595 ( 15.316 8.843 11.903) 21.318 0.730 ( 16.931 9.775 14.689) 24.453 0.941 ( 9.261 5.347 31.496) 33.262 1.342 ( 2.347 1.355 -11.581) 11.894 1.476 ( 8.144 4.702 -9.984) 13.715 1.672 ( -1.039 -0.600 1.685) 2.069 1.776 ( 0.579 0.334 3.687) 3.747 1.829 ( 3.087 1.782 3.312) 4.866 1.887 ( -0.616 -0.355 0.529) 0.886 2.147 ( -0.334 -0.193 -5.448) 5.461 2.339 ( -0.418 -0.242 -0.205) 0.525 2.352 ( 0.401 0.231 -0.081) 0.470 2.623 ( -0.758 -0.438 -0.373) 0.951 2.636 ( -0.369 -0.213 0.067) 0.432 2.749 ( -6.405 -3.698 7.163) 10.296 2.863 ( -1.414 -0.816 -0.009) 1.633 2.939 ( 1.256 0.725 0.525) 1.543 3.173 ( -0.698 -0.403 3.182) 3.283 3.314 ( -0.196 -0.113 -0.119) 0.256 3.471 ( -1.271 -0.734 0.264) 1.492 3.753 ( 6.202 3.581 -13.098) 14.928 3.996 ( -0.356 -0.206 2.938) 2.967 4.018 ( 0.960 0.555 3.595) 3.762 4.206 ( -1.868 -1.078 -8.293) 8.569 5.682 ( -0.228 -0.132 0.057) 0.270 5.702 ( 1.376 0.795 -2.885) 3.294 5.796 ( -1.696 -0.979 -3.682) 4.170 5.808 ( 0.879 0.508 0.260) 1.048 5.875 ( 1.832 1.057 -4.170) 4.675 6.111 ( 0.680 0.393 2.054) 2.199 6.127 ( 1.259 0.727 0.308) 1.485 6.186 ( 7.176 4.143 -4.714) 9.533 6.939 ( -3.577 -2.065 11.748) 12.453 7.064 ( -0.307 -0.177 -1.049) 1.107 7.086 ( 0.970 0.560 -0.901) 1.437 7.845 ( -19.632 -11.335 8.923) 24.362 8.699 ( -1.133 -0.654 0.073) 1.310 8.734 ( -0.631 -0.364 -0.350) 0.808 8.773 ( -2.296 -1.326 2.492) 3.639 9.006 ( -0.610 -0.352 0.346) 0.785 9.041 ( 2.041 1.178 1.170) 2.631 9.992 ( -5.726 -3.306 -2.615) 7.110 10.578 ( 0.177 0.102 0.073) 0.217 10.696 ( 6.586 3.802 -4.761) 8.972 10.829 ( -0.009 -0.005 0.024) 0.027 10.884 ( 3.714 2.144 0.099) 4.290 10.969 ( -0.070 -0.041 -0.044) 0.092 11.058 ( 6.638 3.833 -0.988) 7.729 11.114 ( -0.002 -0.001 0.579) 0.579 11.164 ( 0.245 0.142 -0.326) 0.432 11.256 ( 2.874 1.659 2.015) 3.883 11.923 ( -1.474 -0.851 2.233) 2.808 15.180 ( 0.536 0.310 0.003) 0.619 15.505 ( 0.179 0.103 0.683) 0.713 16.235 ( 1.227 0.708 2.308) 2.708 16.335 ( 7.250 4.186 -6.612) 10.668 16.415 ( 0.110 0.064 -2.548) 2.551 16.475 ( 4.541 2.621 -2.332) 5.738 17.936 ( -3.350 -1.934 -3.341) 5.112 18.512 ( -12.042 -6.952 7.846) 15.966======================= Grid point 231 (75/116) =======================q-point: ( 0.40 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.982 ( 15.540 8.972 8.743) 19.961 1.150 ( 17.188 9.923 10.261) 22.342 1.275 ( 12.955 7.480 19.161) 24.309 1.409 ( 6.703 3.870 -9.058) 11.914 1.613 ( 3.524 2.035 -5.417) 6.775 1.666 ( 2.327 1.343 -0.772) 2.795 1.802 ( 1.755 1.013 -0.444) 2.075 1.911 ( 3.568 2.060 1.036) 4.248 1.926 ( 3.385 1.954 3.165) 5.029 2.147 ( 2.380 1.374 -4.896) 5.614 2.324 ( -1.060 -0.612 -0.057) 1.226 2.359 ( 0.278 0.161 0.096) 0.335 2.601 ( -1.159 -0.669 -0.233) 1.358 2.602 ( -2.700 -1.559 3.754) 4.880 2.723 ( 1.241 0.716 2.239) 2.658 2.833 ( -1.232 -0.711 0.197) 1.436 2.966 ( 1.037 0.599 0.365) 1.252 3.202 ( 1.705 0.985 -0.090) 1.971 3.305 ( -0.663 -0.383 -0.070) 0.769 3.435 ( -1.925 -1.112 0.284) 2.241 3.728 ( -2.402 -1.387 -11.803) 12.125 3.990 ( -0.868 -0.501 1.930) 2.175 4.016 ( -3.122 -1.803 5.540) 6.610 4.136 ( -2.261 -1.305 -2.423) 3.562 5.666 ( -0.972 -0.561 -1.465) 1.846 5.705 ( 0.094 0.054 -3.271) 3.273 5.756 ( -1.151 -0.665 -1.045) 1.691 5.835 ( 1.400 0.809 0.506) 1.694 5.908 ( 2.355 1.360 -3.168) 4.175 6.126 ( 0.378 0.218 0.833) 0.941 6.163 ( 1.695 0.979 0.450) 2.008 6.259 ( 0.641 0.370 -4.881) 4.937 6.873 ( -4.644 -2.681 5.260) 7.512 7.055 ( -0.213 -0.123 -0.755) 0.794 7.103 ( 0.851 0.491 -0.937) 1.357 7.543 ( -11.718 -6.766 10.583) 17.178 8.634 ( -5.016 -2.896 -1.313) 5.939 8.665 ( -1.848 -1.067 -0.122) 2.138 8.831 ( 3.818 2.204 0.161) 4.412 8.988 ( -1.145 -0.661 0.395) 1.380 9.104 ( 3.120 1.801 2.452) 4.357 9.858 ( -5.140 -2.968 -3.387) 6.834 10.584 ( 0.426 0.246 0.069) 0.497 10.790 ( 3.911 2.258 -4.866) 6.639 10.828 ( -0.150 -0.086 0.152) 0.230 10.968 ( 3.844 2.219 -0.917) 4.533 10.969 ( 0.142 0.082 -0.098) 0.191 11.107 ( 0.857 0.495 1.027) 1.426 11.169 ( 0.239 0.138 -0.282) 0.394 11.252 ( 7.551 4.359 2.823) 9.164 11.297 ( 0.870 0.502 4.721) 4.826 11.936 ( 1.903 1.099 0.311) 2.219 15.197 ( 0.929 0.536 0.401) 1.145 15.517 ( 0.741 0.428 0.487) 0.985 16.271 ( 1.357 0.784 1.383) 2.090 16.404 ( 1.741 1.005 -6.075) 6.399 16.417 ( 0.779 0.450 -1.649) 1.879 16.618 ( 8.570 4.948 -1.528) 10.013 17.811 ( -6.384 -3.686 -5.575) 9.242 18.244 ( -14.645 -8.455 8.679) 19.007======================= Grid point 232 (76/116) =======================q-point: ( 0.50 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.292 ( 9.723 5.614 9.440) 14.668 1.511 ( 12.327 7.117 0.449) 14.241 1.550 ( 2.566 1.481 3.199) 4.361 1.571 ( 10.774 6.220 0.876) 12.472 1.646 ( 7.169 4.139 -2.087) 8.537 1.747 ( 5.100 2.944 1.513) 6.080 1.845 ( 2.023 1.168 -4.595) 5.155 1.981 ( 2.565 1.481 -0.874) 3.088 2.038 ( 5.328 3.076 4.237) 7.470 2.228 ( 6.067 3.503 -3.492) 7.828 2.286 ( -2.607 -1.505 -0.126) 3.013 2.366 ( 0.511 0.295 0.277) 0.651 2.565 ( -1.890 -1.091 4.121) 4.664 2.576 ( -1.034 -0.597 0.128) 1.201 2.780 ( 3.343 1.930 0.051) 3.861 2.813 ( -0.710 -0.410 0.530) 0.976 2.985 ( 0.605 0.349 0.180) 0.721 3.211 ( -0.741 -0.428 -4.306) 4.390 3.282 ( -1.419 -0.819 0.054) 1.639 3.398 ( -1.428 -0.825 0.413) 1.700 3.639 ( -2.193 -1.266 -5.591) 6.138 3.898 ( -8.658 -4.999 7.203) 12.322 3.971 ( -1.276 -0.736 0.516) 1.561 4.117 ( 0.087 0.050 1.002) 1.007 5.636 ( -0.982 -0.567 -2.752) 2.976 5.693 ( 0.044 0.025 -3.507) 3.507 5.738 ( -0.606 -0.350 1.494) 1.649 5.867 ( 1.349 0.779 0.693) 1.705 5.952 ( 2.363 1.364 -2.162) 3.481 6.133 ( 0.070 0.040 0.063) 0.102 6.192 ( -5.241 -3.026 -1.082) 6.147 6.200 ( 1.513 0.874 0.043) 1.748 6.790 ( -3.507 -2.025 -0.077) 4.050 7.051 ( -0.034 -0.020 -0.186) 0.191 7.115 ( 0.495 0.286 -0.469) 0.739 7.382 ( -6.142 -3.546 5.984) 9.280 8.536 ( -3.278 -1.892 -1.953) 4.259 8.623 ( -1.825 -1.054 -0.305) 2.129 8.912 ( 3.443 1.988 -0.821) 4.059 8.961 ( -1.301 -0.751 0.305) 1.533 9.185 ( 3.098 1.788 3.839) 5.247 9.755 ( -3.235 -1.868 -3.240) 4.944 10.597 ( 0.656 0.378 0.041) 0.758 10.823 ( -0.371 -0.214 0.238) 0.490 10.843 ( 2.621 1.513 -5.230) 6.043 10.975 ( 0.400 0.231 -0.111) 0.475 11.036 ( 2.797 1.615 -1.422) 3.529 11.137 ( 1.011 0.584 3.082) 3.295 11.171 ( 0.041 0.024 -0.153) 0.160 11.300 ( -1.126 -0.650 9.897) 9.982 11.430 ( 6.378 3.683 0.261) 7.370 11.990 ( 3.054 1.763 -2.235) 4.175 15.220 ( 1.016 0.586 0.724) 1.378 15.538 ( 0.943 0.544 0.406) 1.162 16.296 ( 0.785 0.453 -0.687) 1.137 16.402 ( 0.073 0.042 -3.890) 3.891 16.438 ( 1.358 0.784 0.395) 1.617 16.803 ( 8.607 4.969 -2.777) 10.319 17.640 ( -7.271 -4.198 -5.240) 9.896 17.961 ( -13.343 -7.704 8.209) 17.458======================= Grid point 233 (77/116) =======================q-point: ( 0.60 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.460 ( 3.643 2.103 5.731) 7.109 1.517 ( -3.117 -1.800 0.154) 3.602 1.698 ( 7.367 4.253 -3.029) 9.030 1.756 ( 3.094 1.786 -0.906) 3.686 1.838 ( 10.151 5.861 4.399) 12.520 1.845 ( 1.156 0.667 -7.836) 7.949 1.941 ( 8.110 4.682 0.061) 9.365 2.008 ( 0.040 0.023 -1.967) 1.968 2.159 ( 4.037 2.331 3.381) 5.758 2.204 ( -4.607 -2.660 -0.539) 5.347 2.332 ( 2.939 1.697 -1.633) 3.766 2.407 ( 3.274 1.890 0.531) 3.818 2.553 ( -0.068 -0.039 3.657) 3.658 2.562 ( -0.306 -0.177 0.694) 0.779 2.807 ( -0.032 -0.019 1.001) 1.002 2.858 ( 3.979 2.297 -3.971) 6.073 2.993 ( 0.177 0.102 -0.021) 0.206 3.148 ( -2.439 -1.408 -5.391) 6.083 3.252 ( -1.156 -0.668 0.588) 1.459 3.378 ( -0.650 -0.375 0.457) 0.879 3.564 ( -5.968 -3.446 3.165) 7.584 3.779 ( -2.687 -1.551 9.457) 9.953 3.940 ( -1.443 -0.833 -0.931) 1.908 4.114 ( -0.984 -0.568 -0.425) 1.213 5.610 ( -0.402 -0.232 -2.911) 2.947 5.691 ( 1.034 0.597 -3.403) 3.606 5.739 ( 0.015 0.009 2.987) 2.987 5.894 ( 0.761 0.440 0.683) 1.113 5.991 ( 1.694 0.978 -1.272) 2.333 6.064 ( -5.484 -3.166 1.662) 6.547 6.129 ( -0.285 -0.165 -0.933) 0.990 6.226 ( 0.854 0.493 -0.110) 0.992 6.727 ( -1.777 -1.026 -2.914) 3.564 7.052 ( 0.154 0.089 0.425) 0.461 7.122 ( 0.212 0.123 0.090) 0.261 7.299 ( -3.084 -1.780 2.184) 4.177 8.480 ( -1.324 -0.764 -1.989) 2.509 8.589 ( -1.090 -0.629 -0.411) 1.324 8.937 ( -0.945 -0.545 0.111) 1.096 8.966 ( 1.770 1.022 -1.957) 2.830 9.257 ( 2.010 1.161 5.147) 5.646 9.696 ( -1.334 -0.770 -2.704) 3.112 10.611 ( 0.567 0.327 0.007) 0.655 10.815 ( -0.394 -0.227 0.220) 0.505 10.871 ( 1.790 1.033 -5.904) 6.255 10.984 ( 0.393 0.227 -0.053) 0.457 11.084 ( 1.851 1.069 0.159) 2.144 11.161 ( -0.052 -0.030 4.177) 4.178 11.170 ( -0.050 -0.029 0.010) 0.059 11.310 ( -1.159 -0.669 11.094) 11.175 11.528 ( 2.630 1.518 -1.519) 3.395 12.041 ( 2.402 1.387 -3.989) 4.858 15.243 ( 0.719 0.415 0.869) 1.202 15.557 ( 0.600 0.346 0.306) 0.757 16.299 ( -0.004 -0.002 -2.158) 2.158 16.395 ( 0.572 0.330 -2.848) 2.923 16.473 ( 1.342 0.775 1.852) 2.415 16.951 ( 6.088 3.515 -8.063) 10.697 17.478 ( -6.138 -3.544 -1.552) 7.255 17.752 ( -7.934 -4.581 9.407) 13.131======================= Grid point 234 (78/116) =======================q-point: (-0.30 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.418 ( -5.882 -3.396 -0.646) 6.822 1.524 ( 1.374 0.793 1.999) 2.552 1.770 ( -1.066 -0.616 -1.281) 1.777 1.807 ( 2.517 1.453 0.244) 2.917 1.869 ( 2.582 1.491 -4.677) 5.547 1.919 ( -7.026 -4.056 -3.049) 8.667 2.015 ( 3.192 1.843 0.799) 3.772 2.047 ( 2.155 1.244 -2.439) 3.485 2.137 ( 0.578 0.334 -0.221) 0.703 2.209 ( -0.719 -0.415 2.334) 2.477 2.363 ( 0.527 0.304 -1.184) 1.331 2.440 ( -0.536 -0.309 0.203) 0.651 2.566 ( 0.392 0.227 1.059) 1.152 2.578 ( -0.620 -0.358 3.166) 3.246 2.815 ( 0.325 0.188 1.153) 1.212 2.883 ( -0.158 -0.091 -10.368) 10.369 2.994 ( -0.090 -0.052 -0.163) 0.193 3.129 ( 2.938 1.696 -4.265) 5.450 3.245 ( 0.261 0.151 1.306) 1.341 3.371 ( -0.150 -0.087 0.399) 0.435 3.477 ( -1.339 -0.773 11.415) 11.519 3.808 ( 0.250 0.145 11.317) 11.321 3.907 ( -1.053 -0.608 -1.612) 2.019 4.065 ( -2.504 -1.446 -3.407) 4.469 5.600 ( 0.291 0.168 -2.723) 2.744 5.715 ( 1.755 1.013 -3.042) 3.655 5.760 ( 0.820 0.473 3.893) 4.007 5.903 ( -0.134 -0.077 0.492) 0.516 5.996 ( 0.024 0.014 1.294) 1.294 6.027 ( 1.245 0.719 0.612) 1.563 6.115 ( -0.573 -0.331 -1.841) 1.956 6.234 ( -0.136 -0.078 -0.149) 0.216 6.694 ( -0.267 -0.154 -3.762) 3.775 7.059 ( 0.283 0.163 0.840) 0.901 7.125 ( -0.086 -0.050 0.313) 0.328 7.251 ( -1.954 -1.128 0.550) 2.322 8.463 ( 0.390 0.225 -1.986) 2.036 8.576 ( 0.059 0.034 -0.433) 0.438 8.924 ( -0.176 -0.102 -0.073) 0.216 8.973 ( -0.423 -0.244 -2.444) 2.492 9.299 ( -0.017 -0.010 5.838) 5.839 9.679 ( 0.583 0.337 -2.354) 2.448 10.618 ( 0.018 0.010 -0.036) 0.042 10.810 ( -0.028 -0.016 0.127) 0.131 10.884 ( 1.337 0.772 -6.292) 6.479 10.989 ( 0.026 0.015 0.058) 0.065 11.115 ( 0.434 0.251 2.537) 2.586 11.160 ( -1.315 -0.759 4.401) 4.656 11.171 ( 0.090 0.052 0.130) 0.166 11.322 ( -1.206 -0.696 11.230) 11.316 11.535 ( -1.064 -0.615 -3.658) 3.859 12.060 ( 0.580 0.335 -4.687) 4.734 15.254 ( 0.048 0.027 0.656) 0.659 15.563 ( -0.119 -0.069 0.169) 0.218 16.284 ( -0.660 -0.381 -2.329) 2.451 16.415 ( 2.222 1.283 -3.453) 4.301 16.503 ( 0.683 0.394 2.028) 2.176 16.987 ( 0.238 0.137 -13.319) 13.322 17.390 ( -1.441 -0.832 2.905) 3.348 17.699 ( -0.147 -0.085 11.278) 11.279======================= Grid point 235 (79/116) =======================q-point: (-0.20 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.249 ( -9.440 -5.450 -0.753) 10.926 1.552 ( 0.934 0.539 0.496) 1.186 1.661 ( -13.795 -7.964 -3.440) 16.296 1.734 ( -1.523 -0.880 -1.983) 2.651 1.821 ( -2.096 -1.210 2.778) 3.684 1.882 ( -0.841 -0.486 -3.773) 3.896 2.017 ( -2.197 -1.268 -1.333) 2.866 2.035 ( -3.138 -1.812 0.312) 3.637 2.130 ( -7.116 -4.109 2.880) 8.708 2.207 ( 4.110 2.373 -0.450) 4.768 2.339 ( -2.849 -1.645 -1.021) 3.445 2.398 ( -2.998 -1.731 0.819) 3.557 2.535 ( -1.447 -0.836 -1.116) 2.010 2.583 ( 0.760 0.439 0.940) 1.286 2.817 ( -2.313 -1.336 -7.199) 7.678 2.825 ( 0.264 0.152 0.742) 0.802 2.989 ( -0.290 -0.168 -0.187) 0.384 3.213 ( 5.102 2.946 -8.494) 10.337 3.268 ( 1.190 0.687 1.261) 1.865 3.375 ( 0.523 0.302 0.455) 0.756 3.598 ( 6.789 3.920 14.741) 16.696 3.821 ( -1.358 -0.784 5.724) 5.935 3.890 ( -0.054 -0.031 -0.837) 0.840 4.027 ( 0.339 0.195 0.239) 0.458 5.603 ( 0.817 0.472 -2.482) 2.655 5.730 ( 0.502 0.290 -2.601) 2.665 5.799 ( 1.485 0.857 4.112) 4.455 5.892 ( -0.910 -0.525 0.285) 1.089 6.007 ( -0.239 -0.138 -0.907) 0.948 6.092 ( -0.808 -0.467 -2.393) 2.569 6.128 ( 8.148 4.704 1.654) 9.553 6.220 ( -1.096 -0.633 -0.163) 1.276 6.689 ( 0.851 0.491 -2.963) 3.122 7.069 ( 0.312 0.180 0.910) 0.979 7.120 ( -0.430 -0.248 0.102) 0.507 7.216 ( -1.447 -0.836 1.189) 2.051 8.484 ( 2.161 1.247 -2.042) 3.224 8.589 ( 1.181 0.682 -0.382) 1.417 8.929 ( 0.667 0.385 -0.152) 0.785 8.935 ( -2.236 -1.291 -1.955) 3.238 9.291 ( -2.534 -1.463 5.623) 6.338 9.706 ( 2.660 1.536 -2.381) 3.886 10.611 ( -0.561 -0.324 -0.094) 0.654 10.815 ( 0.381 0.220 0.034) 0.442 10.886 ( 0.675 0.390 -6.658) 6.704 10.985 ( -0.356 -0.205 0.163) 0.442 11.105 ( -2.663 -1.537 4.256) 5.250 11.149 ( -0.755 -0.436 4.435) 4.520 11.175 ( 0.191 0.110 0.155) 0.270 11.327 ( -1.894 -1.093 10.240) 10.471 11.468 ( -3.400 -1.963 -4.231) 5.772 12.033 ( -1.676 -0.968 -4.638) 5.025 15.248 ( -0.720 -0.416 0.126) 0.841 15.553 ( -0.775 -0.447 0.091) 0.899 16.258 ( -1.083 -0.625 -1.704) 2.113 16.462 ( 3.315 1.914 -5.888) 7.023 16.514 ( -0.202 -0.117 1.424) 1.443 16.893 ( -4.393 -2.536 -10.438) 11.605 17.444 ( 5.280 3.048 3.163) 6.868 17.797 ( 5.014 2.895 10.766) 12.224======================= Grid point 240 (80/116) =======================q-point: ( 0.30 0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.614 ( -0.000 13.820 13.978) 19.657 0.745 ( -0.000 12.700 19.390) 23.179 1.086 ( -0.000 14.335 28.548) 31.945 1.323 ( 0.000 4.985 -11.572) 12.601 1.427 ( 0.000 8.734 -10.360) 13.550 1.678 ( -0.000 -1.341 1.606) 2.092 1.793 ( -0.000 1.007 4.411) 4.525 1.821 ( -0.000 -0.010 1.548) 1.548 1.899 ( 0.000 1.961 -0.056) 1.962 2.127 ( 0.000 -0.358 -6.001) 6.012 2.343 ( 0.000 -0.328 -0.176) 0.372 2.348 ( 0.000 0.509 -0.135) 0.527 2.627 ( 0.000 -0.596 -0.087) 0.602 2.630 ( 0.000 -0.453 -0.330) 0.561 2.767 ( -0.000 -7.884 6.804) 10.414 2.868 ( -0.000 -1.299 0.087) 1.302 2.941 ( -0.000 1.393 0.546) 1.497 3.178 ( -0.000 -2.508 4.878) 5.485 3.314 ( 0.000 -0.159 -0.092) 0.184 3.474 ( -0.000 -1.293 0.263) 1.320 3.710 ( 0.000 6.153 -11.170) 12.752 3.994 ( -0.000 -1.036 2.621) 2.819 4.048 ( -0.000 2.845 2.390) 3.716 4.184 ( 0.000 0.325 -10.058) 10.063 5.652 ( 0.000 -1.664 -0.411) 1.714 5.709 ( 0.000 0.631 -1.548) 1.672 5.807 ( -0.000 0.814 -0.003) 0.814 5.817 ( 0.000 2.289 -4.504) 5.052 5.854 ( 0.000 1.657 -3.902) 4.240 6.078 ( -0.000 -1.038 3.508) 3.658 6.124 ( 0.000 1.026 -0.197) 1.044 6.210 ( 0.000 8.176 -2.427) 8.529 6.974 ( -0.000 -5.745 11.122) 12.518 7.068 ( 0.000 0.462 -1.081) 1.175 7.073 ( 0.000 0.308 -1.011) 1.057 7.863 ( -0.000 -20.267 4.465) 20.753 8.698 ( -0.000 -1.411 0.123) 1.417 8.725 ( -0.000 -1.679 1.016) 1.963 8.777 ( -0.000 -4.077 2.197) 4.631 9.002 ( -0.000 -0.923 0.296) 0.969 9.066 ( -0.000 4.602 0.678) 4.652 9.980 ( 0.000 -7.338 -2.368) 7.711 10.577 ( -0.000 0.141 0.068) 0.157 10.663 ( 0.000 5.419 -3.019) 6.204 10.830 ( -0.000 0.031 0.015) 0.035 10.883 ( -0.000 4.110 0.414) 4.130 10.971 ( 0.000 0.022 -0.058) 0.062 11.046 ( 0.000 6.127 -0.267) 6.133 11.123 ( 0.000 1.458 -0.463) 1.530 11.165 ( 0.000 0.412 -0.306) 0.514 11.292 ( -0.000 7.961 0.209) 7.964 11.921 ( -0.000 -2.914 2.330) 3.731 15.181 ( -0.000 0.665 0.363) 0.758 15.507 ( -0.000 0.165 0.595) 0.617 16.214 ( -0.000 -0.027 1.899) 1.899 16.339 ( 0.000 8.172 -2.475) 8.538 16.429 ( 0.000 2.023 -2.924) 3.555 16.432 ( 0.000 1.450 -2.136) 2.581 17.928 ( 0.000 -3.692 -3.736) 5.253 18.547 ( -0.000 -11.542 5.721) 12.882======================= Grid point 241 (81/116) =======================q-point: ( 0.40 0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.899 ( 10.777 14.542 9.359) 20.376 1.017 ( 11.321 9.059 17.272) 22.551 1.335 ( 3.390 12.385 7.210) 14.726 1.376 ( 2.451 11.992 2.299) 12.454 1.544 ( 5.826 8.560 -8.722) 13.538 1.663 ( -0.464 -1.058 0.888) 1.457 1.800 ( -0.317 0.251 1.396) 1.454 1.863 ( 3.561 1.078 2.654) 4.570 1.936 ( 1.001 3.933 0.094) 4.059 2.114 ( 0.850 1.181 -5.376) 5.569 2.337 ( -0.393 -0.132 -0.110) 0.429 2.353 ( 0.095 -0.030 0.111) 0.149 2.612 ( -0.895 -0.776 0.415) 1.255 2.621 ( -0.662 -1.651 1.042) 2.062 2.721 ( -0.298 -2.960 5.457) 6.215 2.853 ( -0.646 -0.293 0.222) 0.743 2.962 ( 0.704 1.165 0.415) 1.423 3.184 ( 0.677 -0.441 2.751) 2.868 3.310 ( -0.299 -0.314 -0.046) 0.436 3.450 ( -1.191 -1.579 0.219) 1.990 3.697 ( -0.469 -0.817 -11.357) 11.396 3.992 ( 0.067 -1.413 2.007) 2.456 4.059 ( -1.620 -0.148 2.517) 2.997 4.150 ( -1.500 0.479 -5.457) 5.680 5.644 ( 0.995 -2.159 -0.868) 2.531 5.691 ( -1.032 -0.887 -2.424) 2.780 5.808 ( -2.330 3.076 -2.173) 4.428 5.825 ( 0.941 1.267 0.072) 1.580 5.873 ( 1.831 1.364 -3.084) 3.837 6.108 ( 2.506 -1.289 2.176) 3.561 6.138 ( 0.475 1.196 -0.144) 1.295 6.269 ( 0.110 4.539 -3.325) 5.628 6.911 ( -2.977 -7.114 5.828) 9.666 7.061 ( -0.573 0.536 -0.684) 1.040 7.088 ( 1.061 0.495 -1.024) 1.555 7.642 ( -7.301 -13.624 8.094) 17.448 8.636 ( -2.475 -5.330 -0.529) 5.900 8.718 ( -1.167 -2.223 0.733) 2.616 8.775 ( 2.195 1.753 0.258) 2.821 8.998 ( 0.170 -0.732 0.274) 0.800 9.111 ( -0.124 4.685 1.643) 4.966 9.872 ( -3.090 -6.400 -3.034) 7.727 10.588 ( 0.496 0.812 0.315) 1.003 10.730 ( 3.611 2.738 -3.559) 5.762 10.831 ( 0.037 0.125 0.079) 0.152 10.939 ( 1.896 3.534 -0.215) 4.016 10.966 ( -0.185 0.093 -0.203) 0.290 11.138 ( 0.855 2.574 -0.080) 2.713 11.158 ( 1.273 2.740 -0.035) 3.021 11.186 ( 4.290 4.685 0.838) 6.407 11.353 ( -1.515 5.533 3.104) 6.522 11.914 ( 1.070 -1.123 1.470) 2.137 15.194 ( 0.470 0.920 0.683) 1.238 15.515 ( 0.348 0.589 0.337) 0.763 16.248 ( 2.508 0.177 1.225) 2.797 16.395 ( 0.126 3.087 -1.089) 3.276 16.416 ( -0.422 1.833 -2.343) 3.005 16.527 ( 6.774 4.401 -1.935) 8.307 17.836 ( -4.061 -5.317 -5.069) 8.394 18.370 ( -8.920 -12.104 5.195) 15.907======================= Grid point 242 (82/116) =======================q-point: ( 0.50 0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.224 ( 10.047 9.254 9.586) 16.688 1.364 ( 14.717 8.219 8.501) 18.880 1.478 ( 5.943 8.844 -5.685) 12.077 1.577 ( 0.909 4.571 4.494) 6.475 1.625 ( 1.895 5.512 -2.538) 6.358 1.718 ( 4.512 7.104 -0.365) 8.423 1.826 ( 1.242 2.491 0.589) 2.845 1.953 ( 3.675 2.681 1.171) 4.697 2.008 ( 3.504 3.695 1.721) 5.376 2.157 ( 4.252 3.198 -4.502) 6.969 2.320 ( -2.043 0.211 -0.090) 2.056 2.352 ( 0.667 -1.210 0.316) 1.418 2.585 ( -1.419 -2.401 4.064) 4.929 2.592 ( -1.224 -0.543 0.157) 1.348 2.739 ( 2.407 -0.483 1.484) 2.868 2.849 ( -0.815 2.171 0.427) 2.358 2.984 ( 0.493 0.988 0.261) 1.135 3.188 ( 0.256 -2.075 -0.700) 2.205 3.294 ( -1.026 -0.809 -0.360) 1.356 3.414 ( -1.413 -1.183 0.147) 1.848 3.637 ( -1.216 -0.238 -6.890) 7.000 3.972 ( -2.951 -3.855 2.684) 5.547 3.995 ( -3.417 -2.378 1.191) 4.330 4.122 ( -0.776 0.126 -0.200) 0.811 5.631 ( 0.019 -1.516 -1.885) 2.419 5.658 ( -0.143 -1.680 -2.116) 2.706 5.791 ( -2.438 2.759 -0.413) 3.705 5.857 ( 1.268 1.198 0.688) 1.875 5.915 ( 2.615 1.353 -2.339) 3.761 6.131 ( 0.796 -0.610 0.697) 1.222 6.156 ( 0.807 -0.750 0.075) 1.104 6.259 ( -2.803 0.531 -1.443) 3.197 6.810 ( -2.922 -5.524 0.677) 6.286 7.057 ( -0.420 0.606 -0.312) 0.801 7.105 ( 0.838 0.413 -0.629) 1.126 7.455 ( -6.134 -7.630 6.119) 11.545 8.545 ( -2.264 -4.261 -1.519) 5.058 8.671 ( -3.378 0.588 -0.015) 3.429 8.842 ( 4.630 -0.517 -0.338) 4.671 8.990 ( -1.202 0.455 0.162) 1.296 9.167 ( 1.790 2.436 3.112) 4.338 9.762 ( -2.547 -4.311 -3.188) 5.936 10.607 ( 0.031 1.977 0.562) 2.056 10.791 ( 3.091 1.044 -4.039) 5.193 10.834 ( -0.111 0.731 0.160) 0.757 10.973 ( 0.556 0.971 -0.082) 1.122 11.000 ( 2.421 1.958 -1.191) 3.333 11.166 ( 0.254 -0.114 -0.022) 0.279 11.171 ( -0.695 4.242 1.163) 4.453 11.349 ( 7.173 3.567 0.912) 8.063 11.374 ( -2.614 3.107 7.452) 8.486 11.943 ( 2.779 0.018 -1.264) 3.053 15.216 ( 0.742 0.961 0.851) 1.483 15.531 ( 0.726 0.803 0.154) 1.094 16.289 ( 1.383 1.049 -0.630) 1.847 16.404 ( -0.652 0.562 1.556) 1.778 16.437 ( 0.998 2.708 -1.364) 3.192 16.690 ( 8.608 3.646 -2.259) 9.617 17.678 ( -5.981 -6.254 -5.115) 10.052 18.103 ( -11.567 -10.705 4.348) 16.349======================= Grid point 243 (83/116) =======================q-point: ( 0.60 0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.437 ( 4.845 3.347 7.318) 9.393 1.546 ( -2.108 -1.518 0.390) 2.627 1.628 ( 7.234 8.575 -4.059) 11.931 1.703 ( 6.371 5.067 -2.840) 8.621 1.730 ( 9.541 5.260 3.956) 11.590 1.813 ( 1.027 1.496 -6.702) 6.943 1.925 ( 3.220 8.847 4.217) 10.316 2.016 ( 0.422 3.324 -1.630) 3.726 2.121 ( 4.639 2.682 3.801) 6.569 2.262 ( -3.303 -0.599 -0.852) 3.464 2.275 ( 4.760 2.963 -2.287) 6.055 2.365 ( 2.691 -0.485 0.392) 2.762 2.559 ( -0.613 -2.013 4.022) 4.539 2.576 ( -0.814 0.446 0.947) 1.326 2.782 ( 2.916 -0.258 -1.678) 3.374 2.872 ( -0.813 5.164 -0.222) 5.233 2.996 ( -0.089 0.794 0.067) 0.802 3.147 ( -1.378 -2.534 -3.277) 4.366 3.256 ( -1.356 -2.239 -0.693) 2.708 3.389 ( -0.855 -0.385 0.272) 0.977 3.621 ( -1.618 0.742 1.875) 2.585 3.830 ( -5.290 -6.628 5.464) 10.088 3.959 ( -1.676 -0.403 -0.663) 1.847 4.109 ( -0.359 -1.956 0.179) 1.997 5.607 ( -0.637 -0.467 -2.593) 2.710 5.646 ( 1.422 -1.848 -1.389) 2.714 5.781 ( -1.713 2.298 0.960) 3.023 5.889 ( 0.909 0.894 0.837) 1.525 5.963 ( 2.446 1.261 -1.601) 3.184 6.106 ( -3.625 -5.007 1.391) 6.336 6.132 ( -0.395 -0.019 -0.775) 0.870 6.233 ( -0.545 1.485 -0.277) 1.606 6.728 ( -1.680 -3.080 -2.210) 4.147 7.058 ( -0.183 0.617 0.229) 0.683 7.118 ( 0.490 0.167 -0.084) 0.525 7.338 ( -3.658 -3.722 2.665) 5.859 8.480 ( -1.207 -2.270 -1.707) 3.086 8.626 ( -2.966 1.156 -0.246) 3.193 8.900 ( 4.034 -2.054 -1.346) 4.723 8.971 ( -1.982 1.428 -0.003) 2.443 9.230 ( 2.987 -0.269 4.417) 5.338 9.690 ( -1.108 -2.539 -2.773) 3.920 10.628 ( -0.531 2.724 0.747) 2.874 10.814 ( 0.810 -0.116 -2.768) 2.886 10.852 ( 0.657 2.389 -1.839) 3.085 10.993 ( -0.139 2.127 -0.510) 2.192 11.049 ( 2.901 0.186 0.143) 2.911 11.171 ( 0.375 0.205 0.136) 0.448 11.198 ( -1.262 2.923 2.659) 4.148 11.378 ( -2.467 1.421 9.206) 9.636 11.470 ( 4.613 0.486 -0.160) 4.642 11.986 ( 3.266 0.032 -3.772) 4.990 15.239 ( 0.708 0.737 0.841) 1.323 15.551 ( 0.709 0.649 0.044) 0.962 16.307 ( 0.058 1.508 -1.983) 2.492 16.399 ( -1.372 1.113 1.392) 2.249 16.486 ( 1.227 3.632 1.012) 3.965 16.839 ( 7.543 2.039 -6.205) 9.978 17.509 ( -5.037 -6.754 -2.316) 8.739 17.855 ( -8.997 -8.294 5.276) 13.326======================= Grid point 244 (84/116) =======================q-point: ( 0.70 0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.473 ( -4.122 -2.268 0.346) 4.717 1.517 ( 1.144 0.656 2.251) 2.609 1.770 ( 0.058 -0.241 -1.781) 1.798 1.785 ( 4.211 5.730 -0.999) 7.181 1.827 ( 2.715 3.252 -4.731) 6.351 1.942 ( 6.268 3.675 0.438) 7.279 2.005 ( -2.048 1.343 -1.998) 3.160 2.050 ( 0.377 6.003 -0.643) 6.049 2.154 ( -3.813 -2.017 0.168) 4.317 2.214 ( 1.346 0.991 1.579) 2.299 2.336 ( 2.055 -0.013 -1.698) 2.666 2.436 ( 1.822 0.683 1.173) 2.272 2.568 ( 1.746 -0.443 2.519) 3.097 2.581 ( -0.220 1.228 2.105) 2.447 2.808 ( 1.654 -0.249 -4.969) 5.243 2.902 ( -2.160 6.394 -3.107) 7.430 2.996 ( -0.412 0.248 -0.130) 0.498 3.099 ( -0.363 -0.592 -3.566) 3.633 3.229 ( 1.130 -2.227 1.705) 3.024 3.377 ( -0.598 -0.036 0.332) 0.685 3.547 ( -5.303 -3.296 8.890) 10.863 3.809 ( 2.790 -1.697 8.233) 8.857 3.923 ( -1.908 -0.220 -1.138) 2.232 4.064 ( -1.433 -3.701 -2.113) 4.496 5.590 ( -0.084 0.088 -2.464) 2.467 5.661 ( 2.690 -1.090 -1.308) 3.184 5.787 ( -0.596 1.941 2.028) 2.870 5.906 ( 0.126 0.375 0.608) 0.725 5.995 ( -0.036 -0.802 -0.162) 0.819 6.020 ( -0.549 -1.422 1.105) 1.882 6.117 ( -0.684 -0.232 -1.562) 1.721 6.242 ( -0.212 1.102 -0.123) 1.129 6.683 ( -0.451 -1.006 -3.226) 3.409 7.064 ( 0.010 0.598 0.701) 0.921 7.123 ( 0.185 -0.191 0.238) 0.357 7.274 ( -2.132 -1.770 0.834) 2.894 8.451 ( 0.046 -0.770 -1.724) 1.889 8.599 ( -1.821 1.822 -0.340) 2.598 8.922 ( 2.074 -2.605 -1.598) 3.693 8.956 ( -1.347 1.160 -0.572) 1.867 9.280 ( 2.579 -2.707 5.189) 6.396 9.659 ( 0.396 -1.086 -2.277) 2.554 10.642 ( -1.273 2.520 0.840) 2.946 10.813 ( 0.138 0.420 -1.947) 1.997 10.876 ( 0.071 3.277 -3.485) 4.784 10.997 ( -0.657 0.597 -0.598) 1.071 11.103 ( 2.395 0.956 2.142) 3.353 11.184 ( 0.244 1.129 0.508) 1.262 11.197 ( -2.122 0.669 3.322) 3.998 11.382 ( -2.062 0.003 10.534) 10.734 11.505 ( 1.344 -2.199 -2.706) 3.737 12.017 ( 2.403 -0.495 -5.083) 5.644 15.255 ( 0.276 0.290 0.578) 0.703 15.563 ( 0.208 0.233 -0.004) 0.313 16.311 ( -1.071 2.623 -2.039) 3.491 16.394 ( -0.499 1.051 -0.470) 1.255 16.541 ( -0.421 5.067 1.826) 5.403 16.912 ( 3.339 0.233 -12.496) 12.936 17.394 ( -1.260 -5.736 2.746) 6.483 17.717 ( -1.987 -5.795 7.990) 10.068======================= Grid point 245 (85/116) =======================q-point: (-0.20 0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.351 ( -7.885 -3.102 0.811) 8.512 1.541 ( 0.984 0.310 0.340) 1.087 1.738 ( -1.628 -0.777 -3.018) 3.516 1.823 ( -8.610 -0.648 -1.619) 8.784 1.867 ( -1.273 1.997 -0.046) 2.369 1.886 ( -2.894 1.467 -1.867) 3.743 2.024 ( -1.818 -1.660 -1.877) 3.096 2.062 ( 0.749 3.090 -0.440) 3.210 2.163 ( 1.321 1.098 0.232) 1.733 2.213 ( -1.968 0.232 1.226) 2.330 2.349 ( 0.113 -0.676 -1.586) 1.728 2.425 ( -2.042 -1.665 1.610) 3.088 2.548 ( -3.312 -3.504 0.036) 4.821 2.595 ( -0.324 1.478 1.046) 1.839 2.796 ( -0.089 -0.364 -7.061) 7.071 2.899 ( -4.184 6.469 -2.025) 7.966 2.992 ( -0.132 0.015 -0.224) 0.260 3.123 ( 4.627 0.872 -4.955) 6.835 3.255 ( 1.634 -0.075 2.464) 2.958 3.373 ( 0.121 -0.044 0.578) 0.592 3.555 ( 4.971 -0.713 11.458) 12.511 3.837 ( -0.814 -5.301 7.222) 8.996 3.897 ( -0.531 0.579 0.046) 0.787 4.016 ( 0.600 -0.581 -1.096) 1.378 5.589 ( 0.513 0.546 -2.303) 2.422 5.693 ( 2.358 -0.848 -1.886) 3.136 5.810 ( 0.435 1.471 2.748) 3.148 5.904 ( -0.732 -0.064 0.162) 0.753 5.995 ( 1.717 -0.465 0.048) 1.779 6.046 ( 2.796 0.376 0.039) 2.821 6.101 ( -0.186 0.383 -1.432) 1.494 6.241 ( -0.936 0.949 -0.119) 1.338 6.671 ( 0.611 0.430 -2.896) 2.991 7.073 ( 0.069 0.534 0.856) 1.011 7.121 ( -0.131 -0.558 0.231) 0.618 7.236 ( -1.404 -0.839 1.103) 1.972 8.455 ( 1.451 0.350 -1.788) 2.329 8.600 ( -0.566 2.715 -0.367) 2.797 8.913 ( 0.829 -3.618 -1.438) 3.981 8.945 ( -1.053 1.763 -0.572) 2.131 9.291 ( 0.831 -4.758 5.209) 7.104 9.668 ( 2.061 0.251 -2.141) 2.983 10.638 ( -1.847 1.594 0.719) 2.544 10.817 ( 0.106 1.109 -1.548) 1.907 10.889 ( -0.937 3.644 -4.668) 5.995 10.985 ( -0.402 -0.873 0.327) 1.015 11.150 ( 0.699 1.748 2.002) 2.749 11.162 ( -2.893 -1.596 3.564) 4.860 11.204 ( -0.486 2.312 1.687) 2.903 11.379 ( -1.853 -1.697 10.834) 11.121 11.463 ( -1.230 -3.651 -4.321) 5.789 12.016 ( 0.405 -1.045 -5.214) 5.333 15.255 ( -0.455 -0.199 0.105) 0.507 15.561 ( -0.495 -0.181 0.047) 0.529 16.302 ( -3.004 3.345 -0.985) 4.602 16.408 ( 2.109 0.866 -4.289) 4.857 16.572 ( -2.742 5.647 1.340) 6.419 16.870 ( -1.030 -2.770 -12.604) 12.946 17.395 ( 4.074 -1.438 4.850) 6.496 17.734 ( 5.557 -4.019 9.284) 11.542======================= Grid point 251 (86/116) =======================q-point: ( 0.40 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.992 ( -0.000 17.159 8.633) 19.208 1.083 ( -0.000 9.123 19.480) 21.511 1.395 ( 0.000 10.761 -9.214) 14.167 1.540 ( -0.000 13.582 12.652) 18.562 1.564 ( 0.000 11.850 -7.740) 14.154 1.659 ( -0.000 -0.100 0.385) 0.398 1.817 ( -0.000 1.085 2.849) 3.049 1.854 ( -0.000 2.472 3.364) 4.175 1.955 ( 0.000 2.822 -2.707) 3.910 2.110 ( 0.000 2.973 -4.225) 5.166 2.327 ( 0.000 -1.436 -0.081) 1.438 2.362 ( -0.000 0.903 0.122) 0.911 2.614 ( -0.000 -1.151 1.746) 2.091 2.614 ( 0.000 -0.851 -0.433) 0.955 2.709 ( -0.000 -3.942 6.077) 7.243 2.846 ( -0.000 -1.041 0.013) 1.041 2.967 ( -0.000 1.034 0.387) 1.104 3.188 ( -0.000 -0.621 2.928) 2.993 3.309 ( 0.000 -0.398 -0.077) 0.405 3.443 ( -0.000 -1.925 0.093) 1.927 3.662 ( 0.000 0.119 -9.838) 9.839 3.982 ( -0.000 -1.763 1.648) 2.414 4.070 ( 0.000 -1.795 -0.088) 1.797 4.156 ( 0.000 1.173 -3.771) 3.949 5.614 ( 0.000 -1.948 -0.393) 1.987 5.685 ( 0.000 -1.108 -2.130) 2.401 5.819 ( 0.000 0.838 -1.659) 1.858 5.859 ( 0.000 3.799 -2.111) 4.346 5.864 ( 0.000 1.448 -1.682) 2.219 6.084 ( -0.000 -0.835 3.187) 3.295 6.151 ( -0.000 1.881 0.116) 1.885 6.292 ( 0.000 2.114 -3.284) 3.905 6.872 ( -0.000 -9.134 3.870) 9.920 7.072 ( 0.000 0.320 -1.046) 1.094 7.080 ( 0.000 1.206 -0.274) 1.237 7.589 ( -0.000 -13.696 6.998) 15.380 8.611 ( -0.000 -7.176 0.270) 7.181 8.662 ( 0.000 -2.303 0.006) 2.303 8.810 ( -0.000 3.223 0.656) 3.289 8.982 ( -0.000 -1.449 0.445) 1.516 9.178 ( -0.000 6.395 0.332) 6.404 9.822 ( 0.000 -6.922 -2.558) 7.380 10.583 ( -0.000 0.435 0.110) 0.448 10.723 ( 0.000 2.916 -1.757) 3.404 10.829 ( -0.000 -0.181 0.075) 0.196 10.970 ( 0.000 5.033 -0.332) 5.044 10.972 ( 0.000 0.237 -0.161) 0.287 11.129 ( 0.000 3.702 -0.573) 3.746 11.171 ( 0.000 0.410 -0.309) 0.513 11.224 ( -0.000 6.955 1.838) 7.194 11.436 ( -0.000 6.504 1.268) 6.626 11.897 ( -0.000 -1.379 1.789) 2.259 15.203 ( -0.000 1.195 0.870) 1.478 15.519 ( -0.000 0.868 0.091) 0.873 16.230 ( -0.000 0.375 1.602) 1.646 16.408 ( -0.000 -0.775 2.388) 2.510 16.452 ( 0.000 2.010 -1.748) 2.664 16.502 ( 0.000 7.430 -1.991) 7.692 17.800 ( 0.000 -6.220 -5.076) 8.029 18.331 ( -0.000 -13.554 1.792) 13.672======================= Grid point 252 (87/116) =======================q-point: ( 0.50 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.228 ( 5.487 12.614 9.373) 16.645 1.292 ( 8.334 9.504 12.779) 17.975 1.487 ( 2.292 10.837 -7.165) 13.192 1.606 ( -0.858 -0.272 0.756) 1.175 1.654 ( 0.154 6.861 -4.104) 7.996 1.727 ( 3.296 6.921 -1.116) 7.746 1.877 ( 0.139 8.279 5.794) 10.106 1.930 ( 3.426 4.967 3.729) 7.093 1.987 ( 2.743 2.652 -2.340) 4.475 2.139 ( 0.777 4.439 -3.498) 5.705 2.317 ( 0.838 -2.193 0.072) 2.349 2.360 ( -1.352 0.575 0.020) 1.470 2.595 ( -1.050 -1.971 2.258) 3.176 2.606 ( -0.681 -0.235 1.174) 1.378 2.703 ( 1.349 -2.519 3.485) 4.506 2.854 ( 1.680 0.394 -0.096) 1.728 2.983 ( 0.664 0.743 0.298) 1.040 3.176 ( -0.879 -2.161 0.635) 2.418 3.299 ( -0.624 -0.774 -0.464) 1.097 3.419 ( -0.733 -1.587 -0.072) 1.750 3.640 ( -0.701 2.787 -6.159) 6.797 3.969 ( -0.211 -2.429 1.363) 2.794 4.015 ( -2.603 -4.928 -0.651) 5.611 4.143 ( -1.424 0.276 -0.994) 1.759 5.600 ( 0.583 -1.880 -0.376) 2.004 5.656 ( -1.196 -0.890 -1.980) 2.479 5.827 ( 0.418 0.801 -2.190) 2.369 5.871 ( -0.766 2.338 0.601) 2.533 5.889 ( 1.160 2.420 -1.755) 3.206 6.100 ( 1.446 -1.123 2.289) 2.931 6.165 ( -0.624 1.409 -0.040) 1.542 6.278 ( -0.738 -1.698 -2.219) 2.890 6.787 ( -1.451 -7.309 1.312) 7.567 7.068 ( -0.346 0.557 -0.780) 1.019 7.097 ( 0.572 0.962 -0.199) 1.137 7.467 ( -3.082 -9.704 5.234) 11.448 8.530 ( -1.706 -4.867 -0.580) 5.189 8.670 ( 2.462 -2.800 0.072) 3.729 8.825 ( -1.540 2.805 0.523) 3.243 8.982 ( 1.320 -1.191 0.537) 1.857 9.218 ( -1.980 5.358 0.455) 5.730 9.741 ( -1.527 -5.109 -2.238) 5.782 10.610 ( 2.057 1.254 0.498) 2.460 10.751 ( 1.315 1.409 -1.729) 2.589 10.835 ( 0.724 0.195 0.128) 0.760 10.970 ( 0.056 0.742 -0.152) 0.760 11.015 ( -0.244 4.551 -1.330) 4.747 11.166 ( -0.080 0.521 -0.326) 0.619 11.199 ( 2.361 3.032 -0.684) 3.903 11.311 ( 2.526 5.189 2.912) 6.464 11.475 ( -2.421 4.870 2.769) 6.103 11.902 ( 1.346 -0.720 0.392) 1.576 15.220 ( 0.322 1.228 0.844) 1.525 15.531 ( 0.342 1.064 -0.098) 1.122 16.263 ( 2.387 0.608 0.728) 2.569 16.409 ( 0.776 -1.629 4.272) 4.638 16.465 ( -0.400 3.589 -1.347) 3.854 16.605 ( 4.776 4.502 -0.759) 6.607 17.686 ( -4.237 -6.433 -5.019) 9.194 18.152 ( -6.546 -12.153 -0.038) 13.804======================= Grid point 253 (88/116) =======================q-point: ( 0.60 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.425 ( 4.293 4.680 9.009) 11.022 1.558 ( -0.800 -0.949 -0.029) 1.241 1.575 ( 9.340 10.517 0.070) 14.066 1.654 ( 5.722 8.877 -1.025) 10.611 1.695 ( 1.469 3.800 -1.050) 4.207 1.799 ( 0.847 3.208 -5.011) 6.010 1.980 ( 2.237 5.505 3.406) 6.849 2.041 ( 1.463 5.620 -1.292) 5.949 2.093 ( 3.820 5.470 3.657) 7.609 2.211 ( 4.520 5.745 -2.612) 7.763 2.313 ( 1.473 -3.260 0.347) 3.594 2.324 ( -3.110 0.332 -0.624) 3.189 2.567 ( -1.077 -1.800 3.011) 3.669 2.600 ( -0.786 0.592 2.082) 2.302 2.725 ( 2.622 -1.325 -0.226) 2.946 2.906 ( 2.201 3.495 -0.296) 4.141 3.004 ( 0.843 0.936 0.244) 1.283 3.130 ( -1.107 -3.223 -0.412) 3.433 3.261 ( -2.189 -1.622 -2.208) 3.507 3.397 ( -0.582 -0.629 -0.079) 0.860 3.659 ( -0.178 4.638 -0.022) 4.642 3.861 ( -5.796 -8.847 1.664) 10.706 3.969 ( -0.237 -1.083 -0.335) 1.158 4.106 ( -1.930 -2.224 -0.277) 2.958 5.593 ( 0.591 -1.387 -0.704) 1.664 5.625 ( -0.884 -0.632 -1.349) 1.732 5.825 ( -0.962 1.150 -1.024) 1.815 5.890 ( 0.390 1.297 1.391) 1.941 5.933 ( 2.126 2.295 -1.658) 3.541 6.104 ( -0.700 -3.265 1.951) 3.868 6.140 ( -1.662 -1.254 -1.058) 2.336 6.249 ( -0.233 -0.204 -0.483) 0.574 6.711 ( -1.136 -4.203 -0.614) 4.397 7.068 ( -0.198 0.681 -0.373) 0.801 7.112 ( 0.415 0.481 0.012) 0.635 7.359 ( -2.888 -5.371 2.519) 6.598 8.469 ( -1.036 -2.739 -0.818) 3.040 8.672 ( -0.324 -0.567 -0.074) 0.657 8.829 ( 0.660 -0.284 -0.151) 0.734 8.998 ( 0.741 0.090 0.400) 0.847 9.225 ( -1.353 1.868 1.490) 2.746 9.672 ( -1.108 -3.073 -1.868) 3.763 10.664 ( 1.085 3.160 1.572) 3.692 10.774 ( 1.804 -0.325 -2.936) 3.461 10.859 ( 1.078 1.691 0.166) 2.012 11.001 ( 2.662 0.924 0.731) 2.911 11.033 ( -1.375 3.365 -2.208) 4.253 11.167 ( 0.167 0.156 0.201) 0.304 11.250 ( 0.178 3.046 0.270) 3.063 11.401 ( 3.193 1.333 1.292) 3.693 11.477 ( -2.967 2.607 4.928) 6.316 11.925 ( 2.299 -0.413 -1.709) 2.894 15.240 ( 0.456 0.957 0.649) 1.243 15.548 ( 0.521 0.927 -0.179) 1.078 16.301 ( 1.217 0.529 -0.229) 1.347 16.445 ( 1.595 0.686 6.114) 6.355 16.496 ( 0.482 4.551 -1.739) 4.896 16.722 ( 6.416 1.871 -2.387) 7.097 17.521 ( -5.989 -6.986 -3.416) 9.816 17.921 ( -8.318 -9.836 0.214) 12.883======================= Grid point 254 (89/116) =======================q-point: ( 0.70 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.503 ( -0.056 0.168 1.875) 1.884 1.520 ( -1.287 -1.068 0.854) 1.878 1.750 ( 3.176 1.103 1.779) 3.804 1.768 ( 3.228 6.835 -4.536) 8.815 1.827 ( 1.363 6.168 -3.183) 7.073 1.864 ( 7.944 5.985 0.957) 9.992 2.052 ( -1.588 1.424 0.350) 2.162 2.083 ( 1.965 4.965 -0.215) 5.344 2.189 ( 2.707 1.607 0.983) 3.298 2.237 ( -6.096 -0.437 -0.707) 6.152 2.301 ( 1.442 -0.227 -0.648) 1.597 2.390 ( 6.398 4.323 0.676) 7.751 2.550 ( -0.033 -1.129 1.930) 2.236 2.608 ( -0.395 1.363 2.460) 2.840 2.752 ( 2.368 -0.408 -3.830) 4.521 2.964 ( 0.486 2.962 -0.382) 3.026 3.025 ( -0.978 2.032 0.019) 2.255 3.102 ( 0.210 0.815 -0.979) 1.291 3.197 ( -1.257 -2.708 -1.283) 3.249 3.387 ( -0.395 -0.073 0.079) 0.410 3.641 ( -7.357 -4.006 4.764) 9.637 3.754 ( 2.949 -2.570 3.536) 5.273 3.950 ( -1.482 -0.004 -0.583) 1.593 4.037 ( -1.561 -5.106 -1.115) 5.455 5.586 ( -0.077 -0.135 -1.596) 1.604 5.616 ( 1.088 -0.803 -0.199) 1.367 5.818 ( -0.778 1.009 0.438) 1.347 5.910 ( 0.282 0.564 0.889) 1.090 5.983 ( 1.427 1.466 -1.073) 2.310 6.024 ( -2.395 -3.976 1.086) 4.767 6.118 ( -0.469 -0.781 -0.797) 1.210 6.255 ( 0.039 1.110 -0.096) 1.114 6.669 ( -0.323 -1.501 -1.563) 2.191 7.072 ( -0.020 0.750 0.176) 0.770 7.119 ( 0.169 -0.141 0.139) 0.260 7.290 ( -1.883 -2.511 0.766) 3.231 8.438 ( -0.235 -1.119 -0.861) 1.431 8.656 ( -2.140 2.115 -0.116) 3.011 8.838 ( 2.547 -3.377 -0.781) 4.302 9.003 ( -1.349 1.849 -0.392) 2.322 9.227 ( 1.155 -2.672 2.855) 4.077 9.637 ( -0.028 -1.395 -1.452) 2.014 10.701 ( -1.450 3.131 2.700) 4.382 10.792 ( 1.971 0.669 -4.119) 4.615 10.898 ( 0.848 3.008 -0.194) 3.131 11.012 ( -1.148 -0.367 -1.430) 1.870 11.082 ( 3.028 3.711 1.370) 4.982 11.177 ( 0.884 0.088 0.302) 0.938 11.259 ( -2.219 1.695 1.489) 3.165 11.437 ( 0.827 -0.882 -0.067) 1.211 11.465 ( -1.773 -0.967 5.247) 5.622 11.954 ( 2.519 -0.278 -3.311) 4.170 15.255 ( 0.314 0.468 0.356) 0.666 15.562 ( 0.345 0.512 -0.147) 0.635 16.319 ( 0.809 0.633 -0.415) 1.108 16.471 ( -3.596 4.946 2.339) 6.548 16.574 ( 3.822 3.772 1.249) 5.513 16.821 ( 4.533 2.469 -7.470) 9.080 17.359 ( -3.376 -8.610 0.655) 9.272 17.725 ( -5.149 -8.060 2.506) 9.888======================= Grid point 255 (90/116) =======================q-point: (-0.20 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.443 ( -5.042 -1.249 1.818) 5.503 1.527 ( 0.860 -0.288 -0.122) 0.915 1.747 ( -1.030 0.438 -3.020) 3.221 1.867 ( 2.153 3.339 -0.799) 4.052 1.898 ( -0.690 4.713 0.587) 4.800 1.995 ( -4.118 0.667 -0.309) 4.183 2.007 ( 2.695 1.160 -1.305) 3.212 2.120 ( -5.158 -0.151 -0.248) 5.166 2.162 ( 0.847 4.720 -1.357) 4.983 2.225 ( 0.557 0.095 0.192) 0.597 2.319 ( 1.715 -0.381 -1.556) 2.347 2.459 ( -1.739 0.849 1.803) 2.645 2.558 ( -0.391 -2.140 0.537) 2.241 2.619 ( -0.602 0.858 1.183) 1.580 2.767 ( 1.162 1.029 -5.481) 5.697 2.982 ( 0.735 1.022 -0.886) 1.540 3.012 ( -1.173 1.413 -0.791) 1.999 3.099 ( -3.110 4.901 -6.448) 8.676 3.221 ( 4.145 -0.266 7.328) 8.423 3.378 ( -0.679 -0.180 0.211) 0.733 3.527 ( -1.602 -4.234 4.651) 6.490 3.785 ( 1.926 -8.020 6.050) 10.229 3.919 ( -1.355 0.551 0.534) 1.557 3.990 ( 1.009 -1.076 -1.604) 2.179 5.583 ( 0.112 0.656 -1.717) 1.841 5.639 ( 2.410 -0.635 -0.610) 2.566 5.823 ( 0.073 0.574 1.402) 1.517 5.914 ( -0.386 0.135 0.223) 0.466 5.956 ( 0.559 -2.418 0.469) 2.525 6.037 ( 0.629 1.935 -0.461) 2.086 6.099 ( -0.259 -0.669 -1.005) 1.235 6.262 ( -0.468 0.967 -0.072) 1.077 6.659 ( 0.397 0.415 -1.788) 1.878 7.081 ( -0.005 0.737 0.559) 0.925 7.116 ( 0.001 -0.711 0.135) 0.724 7.251 ( -1.138 -1.035 0.622) 1.659 8.434 ( 0.699 0.024 -0.988) 1.211 8.650 ( -1.785 3.661 -0.277) 4.082 8.839 ( 2.464 -4.559 -0.710) 5.230 8.993 ( -2.047 2.877 -0.945) 3.655 9.227 ( 2.121 -5.724 3.643) 7.108 9.635 ( 1.207 -0.071 -1.302) 1.777 10.695 ( -2.379 1.087 2.149) 3.385 10.820 ( 0.667 2.770 -3.214) 4.295 10.934 ( -0.609 4.230 -2.021) 4.727 10.984 ( -0.625 -1.248 0.303) 1.428 11.150 ( 0.663 1.504 0.439) 1.701 11.206 ( 0.662 0.133 0.309) 0.743 11.232 ( -1.559 2.068 3.286) 4.184 11.421 ( 0.096 -3.768 -2.528) 4.539 11.429 ( -2.548 -2.581 7.103) 7.976 11.976 ( 1.621 0.137 -3.876) 4.203 15.260 ( -0.161 -0.033 0.038) 0.168 15.566 ( -0.154 0.064 0.002) 0.167 16.343 ( 1.357 1.572 -1.785) 2.738 16.446 ( -5.239 4.302 0.515) 6.798 16.673 ( 1.647 6.011 1.503) 6.411 16.829 ( -2.788 1.716 -11.146) 11.617 17.297 ( 4.824 -6.932 3.728) 9.231 17.637 ( 1.778 -7.252 5.870) 9.499======================= Grid point 262 (91/116) =======================q-point: ( 0.50 0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.342 ( -0.000 5.843 15.261) 16.342 1.352 ( -0.000 15.797 5.197) 16.630 1.541 ( 0.000 8.009 -5.256) 9.579 1.606 ( 0.000 -0.117 -0.727) 0.736 1.714 ( 0.000 0.948 -0.241) 0.978 1.746 ( 0.000 11.339 -4.821) 12.321 1.921 ( -0.000 2.373 2.448) 3.409 1.959 ( 0.000 2.101 -5.018) 5.440 2.047 ( -0.000 13.850 7.810) 15.900 2.171 ( 0.000 5.190 -3.135) 6.063 2.282 ( -0.000 -3.537 0.085) 3.538 2.378 ( 0.000 0.744 -0.177) 0.765 2.595 ( 0.000 -0.741 -0.675) 1.002 2.618 ( -0.000 0.031 2.701) 2.701 2.676 ( -0.000 -3.722 5.805) 6.895 2.830 ( 0.000 -0.551 -0.251) 0.606 2.984 ( -0.000 0.517 0.271) 0.584 3.161 ( 0.000 -2.929 -0.713) 3.015 3.296 ( 0.000 -0.733 -0.512) 0.894 3.409 ( 0.000 -1.551 -0.144) 1.558 3.672 ( 0.000 6.257 -4.810) 7.892 3.953 ( -0.000 -2.190 1.030) 2.420 3.975 ( 0.000 -7.161 -1.652) 7.350 4.154 ( 0.000 -0.389 -0.871) 0.954 5.580 ( -0.000 -1.512 0.298) 1.541 5.655 ( 0.000 -0.618 -1.296) 1.436 5.816 ( 0.000 0.648 -3.046) 3.114 5.884 ( 0.000 1.121 -0.020) 1.122 5.919 ( 0.000 3.397 -0.468) 3.429 6.089 ( -0.000 -0.733 2.701) 2.798 6.191 ( -0.000 1.943 0.306) 1.967 6.239 ( 0.000 -5.283 -2.607) 5.891 6.737 ( -0.000 -6.294 1.590) 6.491 7.071 ( 0.000 0.331 -1.077) 1.126 7.104 ( -0.000 1.252 0.090) 1.255 7.418 ( -0.000 -8.479 3.673) 9.240 8.499 ( -0.000 -4.516 0.178) 4.520 8.618 ( 0.000 -2.281 0.003) 2.281 8.876 ( -0.000 2.987 0.967) 3.140 8.956 ( -0.000 -1.549 0.498) 1.627 9.291 ( 0.000 5.584 -1.513) 5.785 9.704 ( 0.000 -4.108 -0.995) 4.227 10.594 ( -0.000 0.709 0.149) 0.724 10.757 ( -0.000 1.376 0.214) 1.393 10.824 ( -0.000 -0.471 0.135) 0.490 10.978 ( 0.000 0.524 -0.247) 0.579 11.060 ( 0.000 5.069 -1.881) 5.407 11.175 ( 0.000 0.143 -0.298) 0.330 11.192 ( 0.000 3.299 -1.478) 3.615 11.354 ( -0.000 4.371 3.802) 5.793 11.543 ( 0.000 4.269 -0.988) 4.382 11.891 ( -0.000 -0.307 2.047) 2.070 15.233 ( -0.000 1.264 0.643) 1.418 15.539 ( 0.000 1.196 -0.224) 1.216 16.248 ( -0.000 0.391 1.383) 1.437 16.393 ( -0.000 -3.112 4.842) 5.756 16.481 ( 0.000 2.046 -1.382) 2.469 16.626 ( -0.000 5.314 2.564) 5.900 17.649 ( 0.000 -5.610 -5.092) 7.577 18.089 ( 0.000 -11.028 -3.100) 11.456======================= Grid point 263 (92/116) =======================q-point: ( 0.60 0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.448 ( 1.781 3.972 9.167) 10.148 1.554 ( 0.826 0.824 0.568) 1.298 1.561 ( 4.465 10.005 1.241) 11.026 1.651 ( 2.641 5.131 0.324) 5.780 1.726 ( 0.014 4.423 -1.045) 4.545 1.827 ( -0.449 7.366 -3.797) 8.299 1.972 ( 2.759 1.788 2.357) 4.046 2.005 ( 4.396 2.757 -3.339) 6.170 2.171 ( -1.145 7.188 1.695) 7.473 2.225 ( 1.223 7.123 -0.292) 7.233 2.254 ( 1.224 -3.712 0.292) 3.920 2.373 ( -1.763 1.928 -0.339) 2.634 2.578 ( -0.936 -0.901 0.666) 1.460 2.621 ( -0.290 0.429 0.184) 0.549 2.681 ( 1.387 -1.949 5.908) 6.374 2.866 ( 4.441 0.938 -0.035) 4.539 2.993 ( 0.621 0.160 0.322) 0.717 3.118 ( -1.097 -3.322 -0.593) 3.549 3.275 ( -1.459 -0.773 -1.731) 2.393 3.395 ( -0.138 -0.903 -0.204) 0.936 3.716 ( -0.552 6.631 -4.431) 7.994 3.863 ( -3.961 -7.864 0.070) 8.806 3.946 ( 0.884 -2.036 0.274) 2.236 4.121 ( -2.270 -2.308 -0.727) 3.318 5.572 ( 0.367 -1.112 0.646) 1.337 5.637 ( -1.200 -0.040 -0.787) 1.436 5.821 ( 0.905 0.500 -2.739) 2.927 5.898 ( 0.459 0.722 0.450) 0.967 5.944 ( -0.248 3.167 -0.062) 3.177 6.093 ( -0.067 -1.712 2.289) 2.859 6.145 ( -2.126 -4.242 -1.570) 4.998 6.230 ( 1.610 -0.057 -0.163) 1.619 6.687 ( -0.597 -3.945 1.221) 4.173 7.071 ( 0.073 0.414 -0.940) 1.029 7.115 ( 0.017 0.822 0.116) 0.831 7.348 ( -1.283 -5.491 1.769) 5.910 8.458 ( -0.730 -2.610 0.302) 2.727 8.622 ( 2.650 -2.128 0.061) 3.399 8.877 ( -3.050 2.051 0.802) 3.762 8.963 ( 2.071 -1.222 0.703) 2.505 9.301 ( -3.341 3.755 -1.957) 5.394 9.661 ( -1.067 -2.479 -0.255) 2.711 10.638 ( 3.918 1.287 0.040) 4.124 10.763 ( -0.619 0.418 0.814) 1.105 10.841 ( 2.206 0.325 0.296) 2.249 10.985 ( 0.530 0.815 0.076) 0.975 11.086 ( -1.337 4.222 -2.748) 5.212 11.172 ( -0.183 0.482 -0.033) 0.517 11.238 ( 2.476 1.526 -1.603) 3.321 11.404 ( 0.370 2.333 3.728) 4.413 11.549 ( -2.037 2.111 -2.813) 4.064 11.905 ( 0.391 0.465 2.682) 2.750 15.246 ( 0.141 0.980 0.333) 1.045 15.551 ( 0.200 1.026 -0.235) 1.072 16.278 ( 2.174 0.459 0.983) 2.430 16.398 ( 2.741 -2.672 4.671) 6.039 16.520 ( 2.338 3.122 -1.400) 4.144 16.686 ( 0.844 3.113 4.477) 5.518 17.544 ( -4.710 -5.015 -4.614) 8.284 17.938 ( -5.157 -8.643 -3.949) 10.812======================= Grid point 264 (93/116) =======================q-point: ( 0.70 0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.506 ( 0.519 0.298 1.486) 1.602 1.526 ( -0.656 -1.787 -0.257) 1.921 1.716 ( 3.409 1.867 4.654) 6.064 1.775 ( 2.607 6.264 -2.293) 7.162 1.809 ( 5.459 7.009 0.041) 8.884 1.877 ( 0.247 7.718 -1.557) 7.877 2.045 ( 2.988 -0.628 1.536) 3.418 2.087 ( 2.812 3.276 -0.797) 4.391 2.192 ( -1.045 1.960 0.450) 2.266 2.234 ( 2.833 -4.778 -0.090) 5.556 2.298 ( -0.360 0.796 0.026) 0.874 2.396 ( 0.411 8.543 -0.412) 8.563 2.556 ( -1.086 -0.635 0.702) 1.440 2.626 ( 0.316 0.561 -0.184) 0.669 2.713 ( 1.523 0.198 2.991) 3.362 2.962 ( 2.711 1.935 0.006) 3.331 3.022 ( 2.911 0.223 0.726) 3.009 3.076 ( 0.814 -2.399 2.613) 3.640 3.223 ( -3.140 0.551 -4.910) 5.855 3.388 ( 0.014 -0.373 -0.103) 0.387 3.679 ( -3.403 -8.837 -2.240) 9.731 3.770 ( -3.532 4.992 0.040) 6.115 3.947 ( 1.047 -1.086 -0.095) 1.511 4.033 ( -3.867 -4.754 -0.284) 6.135 5.575 ( 0.569 -0.516 0.678) 1.025 5.617 ( -1.131 0.466 -0.398) 1.287 5.828 ( 0.226 0.291 -1.407) 1.455 5.912 ( 0.365 0.328 0.643) 0.809 5.978 ( 0.867 2.377 -0.363) 2.556 6.028 ( -2.536 -4.258 0.341) 4.967 6.113 ( -0.028 -1.146 0.290) 1.182 6.255 ( 0.987 0.593 0.009) 1.152 6.657 ( -0.238 -1.461 0.631) 1.609 7.076 ( 0.274 0.542 -0.534) 0.809 7.119 ( -0.189 0.112 0.097) 0.240 7.292 ( -1.220 -2.872 0.394) 3.145 8.433 ( -0.416 -0.979 0.247) 1.092 8.655 ( 2.991 -0.871 0.039) 3.116 8.832 ( -3.738 0.357 0.345) 3.771 8.997 ( 2.566 -0.558 0.738) 2.728 9.249 ( -4.427 0.556 -1.454) 4.692 9.629 ( -0.685 -0.935 0.062) 1.161 10.729 ( 4.972 1.269 -2.317) 5.630 10.754 ( -1.177 0.851 2.799) 3.153 10.895 ( 2.645 1.795 0.518) 3.238 11.004 ( 0.610 -0.751 0.349) 1.029 11.098 ( 0.218 4.453 -1.886) 4.841 11.177 ( -0.283 0.951 0.205) 1.014 11.273 ( 1.556 -0.376 -1.324) 2.078 11.422 ( -0.814 -0.196 2.191) 2.346 11.508 ( -2.275 -0.698 -2.411) 3.388 11.927 ( 0.561 0.996 1.742) 2.083 15.257 ( 0.167 0.483 0.095) 0.520 15.562 ( 0.245 0.593 -0.161) 0.662 16.311 ( 0.864 0.447 1.209) 1.552 16.477 ( 7.208 -0.774 1.711) 7.449 16.583 ( -0.381 5.213 -0.140) 5.229 16.759 ( 4.400 2.195 3.565) 6.074 17.379 ( -7.481 -5.576 -3.039) 9.813 17.752 ( -6.710 -6.798 -2.879) 9.976======================= Grid point 265 (94/116) =======================q-point: ( 0.80 0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.494 ( -0.873 -1.512 -0.000) 1.746 1.508 ( -0.356 -0.617 0.000) 0.713 1.754 ( 0.163 0.282 -0.000) 0.326 1.863 ( 2.407 4.169 0.000) 4.814 1.953 ( 3.127 5.416 -0.000) 6.254 1.957 ( 2.538 4.396 -0.000) 5.076 2.034 ( -1.614 -2.795 -0.000) 3.227 2.135 ( -0.141 -0.245 -0.000) 0.282 2.193 ( 0.370 0.641 -0.000) 0.740 2.263 ( 1.015 1.759 -0.000) 2.031 2.276 ( -0.440 -0.763 -0.000) 0.881 2.493 ( 2.139 3.705 -0.000) 4.278 2.535 ( -0.587 -1.016 -0.000) 1.174 2.632 ( -0.149 -0.259 -0.000) 0.299 2.751 ( 1.188 2.058 -0.000) 2.377 2.977 ( -0.106 -0.184 -0.000) 0.213 3.018 ( -0.403 -0.699 -0.000) 0.807 3.150 ( -0.731 -1.266 0.000) 1.461 3.202 ( 3.616 6.264 -0.000) 7.233 3.384 ( -0.145 -0.251 -0.000) 0.289 3.545 ( -2.964 -5.134 -0.000) 5.929 3.717 ( -3.642 -6.308 -0.000) 7.284 3.948 ( -1.009 -1.747 0.000) 2.017 3.960 ( 0.509 0.882 -0.000) 1.018 5.584 ( 0.324 0.562 -0.000) 0.649 5.612 ( 0.231 0.399 0.000) 0.461 5.827 ( 0.006 0.010 -0.000) 0.011 5.919 ( 0.027 0.047 -0.000) 0.054 5.942 ( -1.557 -2.697 0.000) 3.114 6.042 ( 1.643 2.846 -0.000) 3.287 6.095 ( -0.786 -1.361 -0.000) 1.572 6.271 ( 0.282 0.488 -0.000) 0.563 6.655 ( 0.270 0.468 -0.000) 0.540 7.087 ( 0.383 0.664 -0.000) 0.766 7.112 ( -0.359 -0.621 -0.000) 0.717 7.257 ( -0.746 -1.292 -0.000) 1.492 8.427 ( 0.084 0.146 -0.000) 0.168 8.701 ( 1.457 2.524 -0.000) 2.914 8.775 ( -1.551 -2.687 -0.000) 3.102 9.033 ( 0.916 1.587 -0.000) 1.833 9.175 ( -2.053 -3.556 -0.000) 4.106 9.622 ( 0.183 0.316 -0.000) 0.365 10.727 ( -0.801 -1.388 -0.000) 1.603 10.824 ( 2.167 3.753 0.000) 4.334 10.955 ( 1.712 2.965 0.000) 3.424 10.986 ( -0.813 -1.408 -0.000) 1.626 11.170 ( 2.167 3.754 0.000) 4.334 11.174 ( -0.259 -0.449 -0.000) 0.519 11.275 ( -0.004 -0.007 -0.000) 0.008 11.388 ( -1.751 -3.033 0.000) 3.502 11.453 ( -1.747 -3.026 -0.000) 3.494 11.954 ( 0.954 1.652 0.000) 1.908 15.261 ( 0.005 0.008 -0.000) 0.009 15.568 ( 0.072 0.125 -0.000) 0.145 16.332 ( 0.710 1.231 -0.000) 1.421 16.569 ( -0.574 -0.995 -0.000) 1.149 16.614 ( 2.942 5.096 -0.000) 5.884 16.899 ( 4.621 8.003 0.000) 9.241 17.196 ( -4.831 -8.367 -0.000) 9.661 17.598 ( -3.463 -5.998 -0.000) 6.926======================= Grid point 274 (95/116) =======================q-point: ( 0.60 0.60 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.490 ( -0.000 2.190 4.898) 5.366 1.531 ( 0.000 -3.521 -0.419) 3.546 1.643 ( -0.000 12.030 2.337) 12.255 1.671 ( -0.000 1.946 5.368) 5.709 1.766 ( 0.000 5.620 -2.009) 5.969 1.903 ( 0.000 6.553 -1.197) 6.662 1.966 ( -0.000 1.168 1.113) 1.613 1.973 ( 0.000 2.471 -2.269) 3.355 2.196 ( -0.000 -5.293 0.199) 5.296 2.223 ( 0.000 3.330 -2.433) 4.124 2.293 ( -0.000 4.645 2.077) 5.088 2.420 ( 0.000 5.144 -0.629) 5.182 2.580 ( 0.000 -0.207 -0.867) 0.891 2.614 ( 0.000 -0.174 -2.202) 2.209 2.694 ( -0.000 -0.314 11.226) 11.230 2.823 ( 0.000 -0.006 -0.350) 0.350 2.991 ( -0.000 0.115 0.191) 0.223 3.096 ( 0.000 -2.925 -0.027) 2.925 3.276 ( 0.000 -0.565 -1.457) 1.563 3.386 ( 0.000 -0.795 -0.265) 0.838 3.731 ( 0.000 -0.898 -10.484) 10.522 3.860 ( -0.000 0.993 0.808) 1.281 3.919 ( -0.000 -1.957 0.817) 2.120 4.114 ( 0.000 -3.521 -0.602) 3.572 5.565 ( -0.000 -0.624 1.344) 1.482 5.651 ( -0.000 0.694 0.369) 0.786 5.806 ( 0.000 0.756 -3.521) 3.602 5.901 ( -0.000 0.502 0.356) 0.615 5.974 ( -0.000 2.304 0.390) 2.337 6.092 ( -0.000 -0.722 2.363) 2.471 6.102 ( 0.000 -6.214 -1.780) 6.463 6.222 ( -0.000 1.123 0.202) 1.141 6.665 ( -0.000 -2.791 2.263) 3.593 7.070 ( 0.000 0.329 -1.086) 1.135 7.123 ( 0.000 0.660 -0.012) 0.660 7.315 ( -0.000 -4.212 0.699) 4.270 8.445 ( -0.000 -1.799 1.127) 2.123 8.583 ( -0.000 -1.349 0.174) 1.360 8.929 ( -0.000 1.589 1.409) 2.124 8.933 ( -0.000 -1.104 0.391) 1.171 9.356 ( 0.000 3.075 -3.701) 4.812 9.654 ( -0.000 -1.401 0.875) 1.652 10.609 ( -0.000 0.622 0.177) 0.647 10.786 ( -0.000 0.931 2.481) 2.650 10.815 ( -0.000 -0.486 0.155) 0.510 10.987 ( 0.000 0.497 -0.289) 0.575 11.128 ( 0.000 3.875 -3.447) 5.187 11.174 ( 0.000 -0.020 -0.263) 0.264 11.220 ( 0.000 0.899 -2.268) 2.440 11.435 ( -0.000 1.490 3.986) 4.255 11.557 ( 0.000 0.174 -7.750) 7.752 11.930 ( -0.000 1.530 6.012) 6.204 15.254 ( -0.000 0.724 -0.002) 0.724 15.557 ( 0.000 0.815 -0.184) 0.835 16.261 ( -0.000 0.018 1.325) 1.325 16.367 ( -0.000 -2.471 4.388) 5.036 16.507 ( 0.000 1.518 -1.178) 1.922 16.740 ( -0.000 2.945 8.478) 8.975 17.528 ( 0.000 -3.608 -5.405) 6.499 17.896 ( 0.000 -5.756 -6.170) 8.438======================= Grid point 275 (96/116) =======================q-point: ( 0.70 0.60 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.482 ( 0.202 -4.499 -1.349) 4.701 1.524 ( 0.148 0.735 1.058) 1.297 1.713 ( 1.107 0.581 7.421) 7.526 1.780 ( 3.411 7.348 0.353) 8.108 1.817 ( 1.050 5.062 -1.713) 5.446 1.941 ( 0.496 4.008 0.680) 4.095 1.987 ( 2.057 -0.581 1.333) 2.519 2.046 ( 4.460 2.051 0.127) 4.911 2.155 ( 0.377 -4.216 -0.007) 4.233 2.231 ( -0.751 1.569 -1.716) 2.443 2.318 ( -0.724 1.307 1.749) 2.300 2.451 ( -0.340 2.701 -1.864) 3.299 2.577 ( -0.544 0.793 0.055) 0.963 2.610 ( 0.400 0.351 -2.814) 2.864 2.731 ( -0.055 0.612 9.267) 9.287 2.886 ( 6.810 0.665 0.751) 6.884 2.994 ( 0.340 -0.208 0.248) 0.469 3.069 ( -0.915 -1.441 2.110) 2.714 3.255 ( -1.549 0.446 -2.890) 3.309 3.380 ( 0.168 -0.510 -0.250) 0.592 3.642 ( -2.473 -5.016 -9.056) 10.644 3.869 ( -2.709 4.985 -3.882) 6.874 3.915 ( 0.980 -1.511 0.366) 1.838 4.048 ( -2.782 -4.766 0.864) 5.586 5.569 ( 0.273 -0.117 1.724) 1.750 5.650 ( -1.536 1.415 0.848) 2.254 5.812 ( 1.000 0.685 -2.904) 3.147 5.908 ( 0.385 0.094 0.272) 0.481 5.992 ( -0.193 1.152 0.265) 1.197 6.030 ( -1.814 -2.625 -0.568) 3.241 6.101 ( 0.543 -0.930 1.539) 1.878 6.241 ( 1.092 0.409 0.095) 1.170 6.653 ( -0.105 -1.050 2.410) 2.631 7.072 ( 0.313 0.359 -0.940) 1.054 7.125 ( -0.285 0.164 -0.105) 0.345 7.279 ( -0.470 -2.662 -0.202) 2.711 8.435 ( -0.361 -0.478 1.305) 1.436 8.596 ( 2.548 -0.712 0.264) 2.659 8.908 ( -3.442 0.577 1.046) 3.644 8.949 ( 2.002 -0.743 0.767) 2.268 9.328 ( -4.217 1.175 -4.092) 5.992 9.640 ( -0.934 -0.234 1.367) 1.672 10.650 ( 3.951 0.204 -0.845) 4.045 10.786 ( -0.765 0.702 2.945) 3.123 10.854 ( 3.512 0.599 1.365) 3.816 10.995 ( 0.389 0.034 -0.062) 0.396 11.129 ( -0.975 2.450 -2.831) 3.869 11.189 ( 0.812 1.436 -0.639) 1.769 11.227 ( 1.498 -1.188 -2.598) 3.226 11.448 ( -0.737 0.090 1.766) 1.916 11.508 ( -1.634 -1.887 -7.246) 7.663 11.959 ( -0.827 1.604 6.000) 6.265 15.259 ( 0.024 0.267 -0.143) 0.304 15.563 ( 0.077 0.360 -0.112) 0.385 16.295 ( 2.822 0.502 1.313) 3.152 16.380 ( 2.591 -1.559 3.115) 4.341 16.559 ( 4.951 2.047 -1.626) 5.599 16.786 ( -0.969 1.600 11.222) 11.376 17.438 ( -5.020 -2.536 -5.553) 7.904 17.789 ( -5.174 -3.162 -6.611) 8.971======================= Grid point 287 (97/116) =======================q-point: (-0.30 -0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.419 ( 0.000 -7.107 -0.943) 7.169 1.534 ( -0.000 1.002 0.105) 1.008 1.730 ( -0.000 -0.488 6.576) 6.594 1.811 ( 0.000 4.263 -0.556) 4.299 1.844 ( 0.000 3.066 -0.122) 3.069 1.887 ( -0.000 -8.268 3.135) 8.842 2.021 ( 0.000 2.397 -0.444) 2.437 2.024 ( -0.000 2.203 2.098) 3.042 2.135 ( -0.000 0.658 0.232) 0.698 2.233 ( 0.000 -0.813 -2.379) 2.514 2.346 ( -0.000 1.049 2.279) 2.508 2.453 ( 0.000 -0.932 -2.191) 2.381 2.576 ( 0.000 0.421 -0.906) 0.999 2.604 ( 0.000 -2.157 -1.775) 2.794 2.773 ( -0.000 0.076 11.053) 11.053 2.824 ( 0.000 0.297 -0.426) 0.520 2.992 ( -0.000 -0.126 0.144) 0.191 3.089 ( -0.000 2.041 3.358) 3.929 3.262 ( 0.000 0.357 -1.875) 1.908 3.375 ( 0.000 -0.171 -0.384) 0.420 3.603 ( 0.000 -0.115 -12.382) 12.383 3.895 ( -0.000 -1.055 0.733) 1.285 3.910 ( 0.000 1.906 -8.579) 8.788 4.033 ( -0.000 -3.792 2.816) 4.723 5.574 ( -0.000 0.327 2.221) 2.245 5.687 ( -0.000 1.817 2.423) 3.029 5.799 ( 0.000 1.166 -3.854) 4.026 5.905 ( -0.000 -0.281 0.173) 0.330 6.001 ( -0.000 0.074 0.103) 0.127 6.036 ( 0.000 1.367 -0.953) 1.666 6.093 ( -0.000 -0.812 2.267) 2.408 6.233 ( -0.000 -0.142 0.088) 0.167 6.658 ( -0.000 -0.199 3.217) 3.223 7.069 ( 0.000 0.333 -1.029) 1.081 7.128 ( 0.000 -0.085 -0.260) 0.273 7.258 ( 0.000 -2.158 -0.788) 2.298 8.443 ( -0.000 0.404 1.923) 1.965 8.572 ( -0.000 0.065 0.360) 0.366 8.923 ( -0.000 -0.207 0.230) 0.310 8.951 ( -0.000 -0.444 1.815) 1.869 9.356 ( 0.000 0.079 -5.209) 5.210 9.656 ( -0.000 0.652 1.971) 2.076 10.617 ( -0.000 0.009 0.167) 0.167 10.810 ( -0.000 -0.042 0.083) 0.093 10.829 ( -0.000 1.045 4.769) 4.882 10.990 ( 0.000 0.047 -0.256) 0.261 11.153 ( 0.000 1.419 -4.770) 4.977 11.172 ( 0.000 0.105 -0.206) 0.231 11.196 ( 0.000 -1.392 -2.829) 3.153 11.438 ( 0.000 -1.010 -9.710) 9.762 11.494 ( -0.000 -2.385 2.727) 3.623 12.003 ( -0.000 0.888 6.635) 6.694 15.259 ( 0.000 -0.126 -0.236) 0.267 15.564 ( 0.000 -0.094 -0.083) 0.126 16.265 ( -0.000 -0.606 1.448) 1.570 16.378 ( -0.000 0.906 4.560) 4.649 16.519 ( 0.000 0.636 -1.199) 1.357 16.848 ( -0.000 0.378 13.168) 13.173 17.441 ( 0.000 -0.889 -6.861) 6.919 17.798 ( 0.000 0.590 -8.440) 8.461======================= Grid point 344 (98/116) =======================q-point: ( 0.30 0.30 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.591 ( -0.000 0.000 20.247) 20.247 0.591 ( -0.000 0.000 20.247) 20.247 1.082 ( -0.000 0.000 36.339) 36.339 1.265 ( 0.000 -0.000 -12.719) 12.719 1.265 ( 0.000 -0.000 -12.719) 12.719 1.699 ( -0.000 0.000 1.823) 1.823 1.808 ( -0.000 0.000 3.416) 3.416 1.808 ( -0.000 0.000 3.416) 3.416 1.889 ( 0.000 -0.000 -2.968) 2.968 2.110 ( 0.000 -0.000 -7.554) 7.554 2.343 ( 0.000 -0.000 -0.254) 0.254 2.343 ( 0.000 -0.000 -0.254) 0.254 2.632 ( 0.000 -0.000 -0.161) 0.161 2.632 ( 0.000 -0.000 -0.161) 0.161 2.885 ( -0.000 0.000 0.088) 0.088 2.885 ( -0.000 0.000 0.088) 0.088 2.925 ( -0.000 0.000 0.749) 0.749 3.315 ( 0.000 -0.000 -0.089) 0.089 3.338 ( -0.000 0.000 6.328) 6.328 3.487 ( -0.000 0.000 0.233) 0.233 3.487 ( -0.000 0.000 0.233) 0.233 4.014 ( -0.000 0.000 1.964) 1.964 4.014 ( -0.000 0.000 1.964) 1.964 4.138 ( 0.000 -0.000 -14.314) 14.314 5.678 ( -0.000 0.000 0.271) 0.271 5.678 ( -0.000 0.000 0.271) 0.271 5.799 ( -0.000 0.000 0.176) 0.176 5.806 ( 0.000 -0.000 -3.669) 3.669 5.806 ( 0.000 -0.000 -3.669) 3.669 6.110 ( -0.000 0.000 2.796) 2.796 6.110 ( -0.000 0.000 2.796) 2.796 6.113 ( 0.000 -0.000 -0.236) 0.236 7.063 ( 0.000 -0.000 -1.131) 1.131 7.063 ( 0.000 -0.000 -1.131) 1.131 7.078 ( -0.000 0.000 13.023) 13.023 8.074 ( 0.000 -0.000 -11.701) 11.701 8.713 ( -0.000 0.000 0.156) 0.156 8.713 ( -0.000 0.000 0.156) 0.156 8.897 ( -0.000 0.000 4.122) 4.122 9.013 ( -0.000 0.000 0.301) 0.301 9.013 ( -0.000 0.000 0.301) 0.301 10.066 ( 0.000 -0.000 -1.269) 1.269 10.576 ( -0.000 0.000 0.143) 0.143 10.576 ( -0.000 0.000 0.143) 0.143 10.830 ( -0.000 0.000 0.084) 0.084 10.830 ( -0.000 0.000 0.084) 0.084 10.970 ( 0.000 -0.000 -0.114) 0.114 10.970 ( 0.000 -0.000 -0.114) 0.114 11.159 ( 0.000 -0.000 -0.356) 0.356 11.159 ( 0.000 -0.000 -0.356) 0.356 11.162 ( 0.000 -0.000 -0.380) 0.380 11.962 ( -0.000 0.000 0.212) 0.212 15.176 ( -0.000 0.000 0.727) 0.727 15.509 ( -0.000 0.000 0.360) 0.360 16.229 ( -0.000 0.000 1.994) 1.994 16.229 ( -0.000 0.000 1.994) 1.994 16.404 ( 0.000 -0.000 -2.257) 2.257 16.404 ( 0.000 -0.000 -2.257) 2.257 17.958 ( 0.000 -0.000 -1.848) 1.848 18.684 ( -0.000 0.000 2.290) 2.290======================= Grid point 345 (99/116) =======================q-point: ( 0.40 0.30 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.736 ( 11.012 6.358 15.521) 20.064 0.884 ( 14.244 8.224 15.623) 22.685 1.221 ( 3.222 1.860 -12.463) 13.007 1.259 ( 5.107 2.948 29.675) 30.256 1.369 ( 9.263 5.348 -10.847) 15.233 1.688 ( -1.309 -0.756 1.148) 1.897 1.807 ( -0.492 -0.284 2.403) 2.470 1.854 ( 2.375 1.371 1.589) 3.170 1.886 ( 1.314 0.759 -0.463) 1.587 2.083 ( 0.184 0.106 -7.189) 7.192 2.338 ( -0.359 -0.207 -0.122) 0.432 2.350 ( 0.512 0.295 -0.161) 0.612 2.622 ( -0.749 -0.432 0.030) 0.865 2.635 ( 0.093 0.054 -0.269) 0.290 2.817 ( -4.861 -2.807 6.030) 8.239 2.865 ( -1.362 -0.786 0.355) 1.612 2.944 ( 1.160 0.670 0.517) 1.436 3.227 ( -3.329 -1.922 7.982) 8.860 3.313 ( -0.180 -0.104 -0.042) 0.212 3.473 ( -1.270 -0.733 0.207) 1.481 3.642 ( 3.889 2.245 -9.468) 10.479 4.016 ( -0.491 -0.284 1.146) 1.279 4.046 ( 1.597 0.922 1.919) 2.661 4.104 ( 1.246 0.720 -11.259) 11.351 5.679 ( -0.782 -0.452 -0.671) 1.126 5.681 ( 0.457 0.264 -1.251) 1.358 5.770 ( -0.833 -0.481 -1.396) 1.695 5.810 ( 0.973 0.562 0.277) 1.157 5.835 ( 2.149 1.241 -3.539) 4.322 6.120 ( 0.538 0.311 0.087) 0.627 6.138 ( 1.023 0.590 1.244) 1.715 6.170 ( 4.374 2.525 0.499) 5.075 7.044 ( -5.776 -3.335 8.519) 10.820 7.054 ( -0.201 -0.116 -0.820) 0.852 7.075 ( 0.719 0.415 -1.126) 1.399 7.875 ( -12.433 -7.178 -1.077) 14.397 8.700 ( -1.207 -0.697 0.042) 1.394 8.734 ( 0.034 0.020 0.098) 0.106 8.801 ( -5.053 -2.917 2.744) 6.447 9.009 ( -0.587 -0.339 0.265) 0.727 9.053 ( 2.691 1.554 1.163) 3.318 9.968 ( -6.478 -3.740 -1.901) 7.718 10.579 ( 0.163 0.094 0.137) 0.233 10.661 ( 5.442 3.142 -2.330) 6.702 10.830 ( 0.016 0.009 0.153) 0.154 10.884 ( 3.552 2.051 0.006) 4.101 10.968 ( -0.073 -0.042 -0.115) 0.142 11.053 ( 6.419 3.706 -0.284) 7.417 11.115 ( 0.854 0.493 -0.214) 1.009 11.161 ( 0.265 0.153 -0.300) 0.428 11.270 ( 4.711 2.720 0.959) 5.524 11.941 ( -1.220 -0.705 1.433) 2.010 15.185 ( 0.536 0.309 0.978) 1.157 15.510 ( 0.132 0.076 0.141) 0.208 16.253 ( 0.999 0.577 1.170) 1.643 16.306 ( 5.195 3.000 0.075) 6.000 16.394 ( 0.334 0.193 -1.457) 1.507 16.453 ( 4.823 2.784 -2.020) 5.924 17.900 ( -4.582 -2.645 -2.674) 5.928 18.567 ( -10.430 -6.022 2.610) 12.323======================= Grid point 346 (100/116) =======================q-point: ( 0.50 0.30 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.074 ( 14.537 8.393 9.929) 19.502 1.244 ( 13.445 7.763 5.456) 16.456 1.328 ( 10.171 5.872 -4.286) 12.502 1.474 ( 6.444 3.721 18.073) 19.545 1.533 ( 7.185 4.148 -9.961) 12.964 1.666 ( -0.025 -0.014 0.289) 0.291 1.811 ( 0.524 0.302 2.340) 2.416 1.915 ( 2.851 1.646 -0.371) 3.312 1.955 ( 4.497 2.597 2.368) 5.707 2.090 ( 3.052 1.762 -6.155) 7.092 2.324 ( -1.036 -0.598 0.032) 1.196 2.361 ( 0.410 0.237 0.181) 0.507 2.601 ( -1.107 -0.639 0.276) 1.308 2.627 ( -0.992 -0.573 0.990) 1.513 2.769 ( -1.366 -0.788 6.118) 6.318 2.837 ( -1.178 -0.680 0.532) 1.461 2.969 ( 0.954 0.551 0.305) 1.143 3.214 ( -0.873 -0.504 2.625) 2.812 3.305 ( -0.637 -0.368 0.052) 0.737 3.438 ( -1.872 -1.081 0.276) 2.179 3.617 ( -0.783 -0.452 -10.128) 10.168 4.001 ( -1.132 -0.654 0.254) 1.332 4.050 ( -2.437 -1.407 0.507) 2.859 4.109 ( 1.035 0.598 -1.595) 1.993 5.646 ( -1.493 -0.862 -2.139) 2.747 5.677 ( -0.251 -0.145 -2.133) 2.152 5.758 ( -0.350 -0.202 1.125) 1.196 5.840 ( 1.517 0.876 0.602) 1.852 5.879 ( 2.756 1.591 -2.552) 4.080 6.130 ( 0.244 0.141 0.059) 0.288 6.166 ( 1.451 0.838 -0.073) 1.677 6.237 ( 0.792 0.458 -0.115) 0.922 6.911 ( -7.088 -4.092 2.107) 8.451 7.050 ( -0.021 -0.012 -0.193) 0.195 7.092 ( 1.060 0.612 -1.114) 1.655 7.617 ( -11.260 -6.501 4.510) 13.762 8.625 ( -5.947 -3.434 -0.424) 6.880 8.664 ( -1.936 -1.118 -0.130) 2.239 8.830 ( 3.463 1.999 -0.386) 4.017 8.991 ( -1.148 -0.663 0.154) 1.335 9.131 ( 3.787 2.186 2.729) 5.154 9.826 ( -5.389 -3.111 -2.821) 6.832 10.585 ( 0.403 0.233 0.072) 0.471 10.749 ( 3.533 2.040 -3.150) 5.154 10.830 ( -0.127 -0.073 0.181) 0.233 10.960 ( 3.435 1.983 -0.522) 4.001 10.968 ( 0.144 0.083 -0.068) 0.179 11.114 ( 1.826 1.054 0.408) 2.147 11.166 ( 0.283 0.164 -0.150) 0.360 11.266 ( 8.773 5.065 0.317) 10.135 11.353 ( 1.995 1.152 5.549) 6.008 11.937 ( 0.644 0.372 -0.134) 0.755 15.205 ( 0.922 0.532 1.016) 1.472 15.520 ( 0.748 0.432 -0.086) 0.868 16.274 ( 0.773 0.446 -0.616) 1.085 16.384 ( 1.569 0.906 1.549) 2.383 16.410 ( 1.360 0.785 0.317) 1.602 16.599 ( 8.417 4.859 -2.493) 10.033 17.759 ( -6.853 -3.956 -3.860) 8.804 18.298 ( -13.944 -8.051 2.159) 16.245======================= Grid point 347 (101/116) =======================q-point: ( 0.60 0.30 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.378 ( 9.338 5.391 7.813) 13.316 1.470 ( 10.300 5.947 -5.813) 13.238 1.569 ( -1.037 -0.599 -0.921) 1.511 1.616 ( 5.150 2.973 -3.272) 6.787 1.624 ( 12.898 7.446 6.799) 16.372 1.744 ( 5.249 3.030 -2.566) 6.582 1.843 ( 2.096 1.210 4.530) 5.136 1.967 ( 2.126 1.227 -1.786) 3.036 2.082 ( 5.373 3.102 4.284) 7.539 2.187 ( 7.328 4.231 -4.704) 9.681 2.285 ( -2.777 -1.603 -0.170) 3.211 2.370 ( 0.536 0.309 0.481) 0.784 2.580 ( -0.890 -0.514 0.664) 1.224 2.603 ( -1.620 -0.935 2.902) 3.453 2.782 ( 1.181 0.682 -0.286) 1.393 2.820 ( -0.592 -0.342 0.739) 1.006 2.986 ( 0.519 0.300 0.084) 0.605 3.174 ( -2.637 -1.523 -2.914) 4.215 3.284 ( -1.263 -0.729 0.405) 1.513 3.402 ( -1.376 -0.795 0.426) 1.645 3.605 ( 1.611 0.930 -0.745) 2.004 3.945 ( -6.808 -3.930 2.428) 8.227 3.970 ( -1.645 -0.950 -0.625) 1.999 4.126 ( 0.241 0.139 1.100) 1.135 5.609 ( -1.133 -0.654 -2.405) 2.738 5.663 ( -0.137 -0.079 -2.243) 2.248 5.759 ( -0.099 -0.057 2.434) 2.437 5.875 ( 1.358 0.784 0.729) 1.730 5.933 ( 2.713 1.566 -1.559) 3.499 6.128 ( -0.255 -0.147 -0.932) 0.977 6.194 ( -4.532 -2.616 1.321) 5.397 6.198 ( 1.505 0.869 -0.322) 1.767 6.779 ( -4.771 -2.754 -1.940) 5.840 7.052 ( 0.162 0.093 0.487) 0.522 7.110 ( 0.812 0.469 -0.494) 1.060 7.426 ( -7.333 -4.234 2.817) 8.924 8.518 ( -3.512 -2.028 -1.535) 4.336 8.620 ( -1.891 -1.092 -0.269) 2.200 8.901 ( 3.041 1.756 -1.301) 3.745 8.963 ( -1.335 -0.771 -0.027) 1.541 9.227 ( 3.681 2.125 4.243) 6.006 9.724 ( -3.117 -1.800 -2.759) 4.535 10.597 ( 0.636 0.367 -0.013) 0.734 10.798 ( 2.085 1.204 -3.692) 4.408 10.825 ( -0.371 -0.214 0.122) 0.445 10.974 ( 0.415 0.239 0.033) 0.480 11.030 ( 3.121 1.802 0.300) 3.616 11.161 ( 1.844 1.065 1.863) 2.829 11.170 ( 0.093 0.054 0.037) 0.113 11.389 ( 1.137 0.657 5.306) 5.467 11.437 ( 4.793 2.768 3.110) 6.349 11.962 ( 1.971 1.138 -3.400) 4.091 15.229 ( 1.004 0.580 0.906) 1.472 15.539 ( 0.992 0.573 -0.162) 1.157 16.282 ( 0.336 0.194 -1.862) 1.902 16.398 ( -0.575 -0.332 2.310) 2.403 16.450 ( 1.806 1.043 1.565) 2.608 16.760 ( 7.080 4.087 -6.098) 10.199 17.600 ( -6.385 -3.686 -2.026) 7.646 18.017 ( -12.009 -6.934 3.467) 14.294======================= Grid point 348 (102/116) =======================q-point: ( 0.70 0.30 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.500 ( 0.907 0.524 1.847) 2.123 1.524 ( -2.336 -1.349 1.131) 2.925 1.669 ( 8.874 5.123 -2.800) 10.622 1.741 ( 6.498 3.751 -4.399) 8.697 1.766 ( -0.102 -0.059 -4.868) 4.869 1.878 ( 8.412 4.857 3.425) 10.300 1.952 ( 4.778 2.758 1.761) 5.791 1.985 ( -0.069 -0.040 -2.280) 2.281 2.193 ( 3.321 1.917 3.269) 5.038 2.199 ( -4.643 -2.681 -0.455) 5.381 2.314 ( 3.418 1.973 -1.952) 4.403 2.413 ( 3.653 2.109 0.694) 4.275 2.571 ( -0.191 -0.110 1.004) 1.028 2.589 ( -0.133 -0.077 3.088) 3.092 2.797 ( 1.131 0.653 -8.431) 8.531 2.817 ( 0.053 0.031 0.789) 0.792 2.993 ( 0.114 0.066 -0.099) 0.164 3.108 ( -2.021 -1.167 -2.523) 3.437 3.262 ( -0.850 -0.491 1.277) 1.610 3.382 ( -0.667 -0.385 0.426) 0.880 3.628 ( -2.793 -1.613 9.112) 9.666 3.846 ( -0.788 -0.455 3.860) 3.966 3.929 ( -1.713 -0.989 -1.152) 2.289 4.110 ( -2.206 -1.273 -0.073) 2.548 5.584 ( -0.434 -0.251 -2.319) 2.373 5.663 ( 0.930 0.537 -2.067) 2.329 5.771 ( 0.394 0.228 3.350) 3.381 5.900 ( 0.671 0.387 0.451) 0.896 5.981 ( 1.944 1.122 -0.875) 2.409 6.083 ( -5.145 -2.971 1.952) 6.254 6.114 ( -0.560 -0.323 -1.907) 2.013 6.224 ( 0.889 0.513 -0.215) 1.048 6.694 ( -2.239 -1.293 -3.319) 4.207 7.059 ( 0.276 0.160 0.948) 1.001 7.123 ( 0.419 0.242 0.053) 0.487 7.315 ( -3.764 -2.173 0.823) 4.424 8.460 ( -1.389 -0.802 -1.810) 2.418 8.586 ( -1.125 -0.649 -0.346) 1.344 8.936 ( -0.978 -0.565 -0.189) 1.145 8.946 ( 1.482 0.856 -1.920) 2.572 9.310 ( 2.373 1.370 5.152) 5.836 9.670 ( -1.158 -0.668 -2.261) 2.627 10.610 ( 0.553 0.320 -0.095) 0.646 10.816 ( -0.410 -0.237 0.004) 0.474 10.820 ( 1.300 0.751 -4.277) 4.533 10.984 ( 0.416 0.240 0.164) 0.507 11.097 ( 2.564 1.480 2.393) 3.807 11.171 ( -0.016 -0.009 0.175) 0.176 11.196 ( 0.450 0.260 2.790) 2.837 11.419 ( -0.317 -0.183 9.065) 9.072 11.510 ( 1.358 0.784 -0.884) 1.800 11.992 ( 2.020 1.166 -5.786) 6.239 15.251 ( 0.651 0.376 0.639) 0.987 15.557 ( 0.648 0.374 -0.097) 0.755 16.278 ( -0.101 -0.058 -1.993) 1.997 16.386 ( -0.652 -0.377 -0.096) 0.759 16.492 ( 1.440 0.831 1.716) 2.390 16.848 ( 3.719 2.147 -11.717) 12.480 17.483 ( -4.281 -2.472 2.809) 5.686 17.831 ( -6.191 -3.575 6.773) 9.848======================= Grid point 355 (103/116) =======================q-point: ( 0.40 0.40 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.769 ( -0.000 9.408 16.170) 18.708 0.930 ( -0.000 13.447 17.287) 21.901 1.195 ( 0.000 5.653 -12.516) 13.733 1.316 ( 0.000 10.302 -11.618) 15.528 1.377 ( -0.000 7.506 26.001) 27.063 1.690 ( -0.000 -1.707 0.457) 1.768 1.830 ( -0.000 1.110 3.029) 3.225 1.832 ( -0.000 -0.724 0.829) 1.101 1.890 ( 0.000 2.743 -1.690) 3.222 2.059 ( 0.000 0.599 -7.102) 7.127 2.341 ( 0.000 -0.273 -0.247) 0.368 2.347 ( 0.000 0.629 -0.051) 0.631 2.627 ( -0.000 -0.336 0.127) 0.359 2.627 ( 0.000 -0.543 -0.180) 0.572 2.829 ( -0.000 -5.151 5.258) 7.361 2.870 ( -0.000 -1.330 0.166) 1.340 2.946 ( -0.000 1.302 0.444) 1.375 3.253 ( -0.000 -5.336 10.184) 11.497 3.313 ( 0.000 -0.148 -0.033) 0.151 3.476 ( -0.000 -1.317 0.093) 1.321 3.612 ( 0.000 3.160 -8.830) 9.379 4.013 ( -0.000 -0.980 1.099) 1.472 4.058 ( 0.000 1.882 -2.822) 3.392 4.075 ( 0.000 4.556 -8.003) 9.209 5.651 ( -0.000 -1.955 0.262) 1.972 5.695 ( 0.000 -0.221 -1.377) 1.394 5.788 ( 0.000 2.362 -1.278) 2.686 5.802 ( 0.000 0.476 -1.370) 1.450 5.823 ( 0.000 1.999 -1.817) 2.701 6.110 ( -0.000 -0.847 2.594) 2.729 6.123 ( -0.000 1.103 0.177) 1.117 6.198 ( 0.000 5.686 -0.456) 5.705 7.056 ( -0.000 -1.780 0.507) 1.851 7.062 ( 0.000 0.344 -1.144) 1.195 7.071 ( -0.000 -5.982 6.028) 8.492 7.867 ( 0.000 -12.542 -1.927) 12.689 8.699 ( -0.000 -1.460 0.094) 1.463 8.732 ( -0.000 0.082 0.445) 0.452 8.804 ( -0.000 -7.337 2.732) 7.829 9.006 ( -0.000 -0.882 0.384) 0.962 9.071 ( -0.000 4.703 0.182) 4.706 9.961 ( 0.000 -8.063 -1.469) 8.195 10.578 ( -0.000 0.121 0.178) 0.215 10.644 ( 0.000 4.803 -0.952) 4.897 10.831 ( -0.000 0.022 0.099) 0.102 10.885 ( -0.000 4.132 0.093) 4.134 10.970 ( 0.000 0.020 -0.188) 0.189 11.045 ( -0.000 6.581 0.128) 6.582 11.117 ( 0.000 1.589 -0.607) 1.701 11.162 ( 0.000 0.428 -0.338) 0.546 11.290 ( 0.000 8.347 -0.496) 8.361 11.941 ( -0.000 -2.074 1.543) 2.585 15.189 ( -0.000 0.634 1.124) 1.290 15.510 ( 0.000 0.142 -0.120) 0.186 16.233 ( -0.000 -0.119 1.745) 1.749 16.336 ( -0.000 7.998 0.681) 8.027 16.409 ( 0.000 1.795 -0.770) 1.953 16.411 ( 0.000 1.568 -1.911) 2.472 17.897 ( 0.000 -5.215 -1.635) 5.466 18.578 ( -0.000 -10.932 0.352) 10.938======================= Grid point 356 (104/116) =======================q-point: ( 0.50 0.40 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.006 ( 9.317 11.847 11.523) 18.972 1.176 ( 7.761 10.473 12.049) 17.751 1.256 ( 4.285 9.432 -7.881) 13.016 1.446 ( 6.076 10.225 -10.474) 15.848 1.540 ( 1.350 8.274 15.060) 17.236 1.667 ( -0.427 -1.400 -0.273) 1.489 1.823 ( -0.312 0.842 3.803) 3.907 1.887 ( 2.787 1.908 1.687) 3.776 1.926 ( 2.346 2.823 -2.170) 4.264 2.057 ( 0.933 2.433 -5.514) 6.099 2.336 ( -0.292 -0.147 -0.054) 0.331 2.353 ( 0.157 0.143 0.065) 0.222 2.613 ( -0.790 -0.514 0.206) 0.964 2.626 ( 0.093 -0.762 0.019) 0.768 2.789 ( -1.320 -4.035 6.565) 7.819 2.855 ( -0.468 -0.443 0.205) 0.677 2.966 ( 0.662 1.106 0.288) 1.321 3.230 ( -1.244 -2.975 6.189) 6.978 3.309 ( -0.300 -0.372 -0.045) 0.480 3.451 ( -1.143 -1.651 0.032) 2.008 3.588 ( -0.249 0.252 -10.072) 10.078 4.005 ( -0.229 -1.240 0.529) 1.367 4.057 ( -0.319 0.057 -3.033) 3.051 4.107 ( 0.282 2.858 -1.713) 3.344 5.638 ( 0.295 -2.082 -0.354) 2.133 5.670 ( -1.171 -1.028 -1.606) 2.238 5.796 ( -1.390 2.355 -0.306) 2.752 5.824 ( 1.741 1.358 -0.449) 2.253 5.849 ( 1.481 1.862 -1.548) 2.839 6.128 ( 1.511 -1.036 1.648) 2.464 6.137 ( 0.330 1.311 -0.064) 1.353 6.250 ( 0.509 3.566 -0.924) 3.719 6.954 ( -4.379 -9.085 2.665) 10.432 7.056 ( -0.408 0.473 -0.448) 0.769 7.078 ( 0.925 0.840 -0.691) 1.428 7.692 ( -6.314 -11.387 2.497) 13.258 8.635 ( -3.064 -5.766 0.143) 6.531 8.726 ( -1.759 -2.902 0.687) 3.462 8.776 ( 1.948 1.945 0.043) 2.753 9.001 ( 0.007 -0.642 0.275) 0.698 9.124 ( 1.010 4.535 0.853) 4.724 9.846 ( -3.481 -6.645 -1.861) 7.729 10.591 ( 0.567 0.950 0.264) 1.138 10.705 ( 2.702 2.810 -1.474) 4.168 10.832 ( 0.077 0.107 0.115) 0.175 10.936 ( 1.596 3.210 -0.371) 3.604 10.963 ( -0.146 0.047 -0.239) 0.284 11.135 ( 1.349 2.633 -0.241) 2.968 11.157 ( 0.661 1.830 -0.117) 1.949 11.195 ( 4.917 6.502 0.763) 8.188 11.375 ( 0.974 6.178 1.368) 6.402 11.927 ( 0.117 -1.426 1.052) 1.776 15.203 ( 0.450 0.861 0.986) 1.384 15.515 ( 0.354 0.578 -0.264) 0.727 16.258 ( 1.682 0.177 0.744) 1.847 16.390 ( -0.093 3.338 -1.156) 3.533 16.424 ( -0.188 2.591 4.096) 4.850 16.506 ( 6.837 4.588 -2.308) 8.551 17.794 ( -4.431 -6.395 -2.589) 8.199 18.391 ( -8.138 -12.347 -0.545) 14.798======================= Grid point 357 (105/116) =======================q-point: ( 0.60 0.40 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.312 ( 10.018 9.666 8.204) 16.159 1.384 ( 6.892 10.118 -5.838) 13.563 1.489 ( 11.154 6.034 8.350) 15.184 1.553 ( 1.897 4.647 -8.274) 9.677 1.619 ( -0.039 1.411 1.125) 1.805 1.718 ( 3.317 5.792 0.088) 6.675 1.866 ( 0.679 4.354 6.246) 7.644 1.951 ( 2.174 3.065 -1.408) 4.013 2.030 ( 6.160 3.620 1.598) 7.321 2.109 ( 4.163 4.025 -4.325) 7.228 2.319 ( -2.124 0.021 -0.127) 2.128 2.356 ( 0.775 -1.146 0.372) 1.432 2.594 ( -1.022 -0.452 0.374) 1.178 2.615 ( -0.535 -1.180 1.473) 1.962 2.763 ( -0.005 -2.422 2.052) 3.174 2.853 ( -0.638 1.830 0.116) 1.942 2.986 ( 0.426 0.954 0.095) 1.049 3.186 ( -2.039 -2.957 0.003) 3.592 3.291 ( -0.966 -1.411 -0.235) 1.726 3.415 ( -1.238 -1.348 0.086) 1.833 3.587 ( 1.717 2.615 -2.549) 4.035 3.982 ( -1.476 -1.635 -0.058) 2.203 3.999 ( -3.790 -3.916 -0.132) 5.451 4.123 ( 0.246 0.193 0.562) 0.643 5.613 ( -0.955 -1.080 -1.567) 2.130 5.643 ( 0.074 -1.594 -0.744) 1.761 5.793 ( -1.388 1.954 0.850) 2.543 5.865 ( 1.370 1.437 0.856) 2.163 5.894 ( 2.749 1.482 -1.694) 3.553 6.133 ( -0.392 0.112 -0.468) 0.621 6.159 ( 1.328 -0.949 0.557) 1.725 6.253 ( -2.109 0.146 0.107) 2.117 6.808 ( -4.315 -6.131 -0.758) 7.536 7.056 ( -0.088 0.481 0.181) 0.522 7.099 ( 0.900 0.751 -0.453) 1.256 7.497 ( -6.706 -7.949 2.196) 10.629 8.533 ( -2.719 -4.397 -0.755) 5.224 8.671 ( -3.597 0.612 -0.016) 3.649 8.837 ( 4.077 -0.393 -0.616) 4.142 8.990 ( -1.344 0.512 -0.080) 1.441 9.195 ( 3.049 2.166 2.444) 4.467 9.736 ( -2.780 -4.169 -1.901) 5.359 10.612 ( -0.091 2.439 0.382) 2.471 10.760 ( 2.339 0.983 -2.271) 3.405 10.836 ( -0.133 0.721 0.113) 0.742 10.971 ( 0.476 1.032 -0.253) 1.164 10.993 ( 2.863 1.550 0.068) 3.256 11.165 ( 0.189 0.289 -0.150) 0.376 11.182 ( 0.372 3.948 0.931) 4.074 11.350 ( 5.666 4.014 -0.654) 6.974 11.442 ( 0.696 3.053 5.600) 6.416 11.928 ( 1.188 -0.469 -1.586) 2.036 15.225 ( 0.740 0.880 0.708) 1.351 15.530 ( 0.765 0.822 -0.258) 1.152 16.282 ( 0.426 1.149 -0.831) 1.480 16.423 ( 0.246 2.235 0.865) 2.409 16.450 ( 0.173 1.426 3.956) 4.208 16.657 ( 7.143 3.728 -4.383) 9.172 17.640 ( -5.398 -6.406 -1.825) 8.574 18.123 ( -10.050 -10.875 0.653) 14.822======================= Grid point 358 (106/116) =======================q-point: ( 0.70 0.40 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.489 ( 2.311 2.018 1.836) 3.575 1.549 ( -1.367 -1.071 0.375) 1.777 1.588 ( 7.660 9.321 -3.662) 12.608 1.673 ( 5.981 6.781 -3.155) 9.576 1.740 ( 3.613 2.070 -3.474) 5.423 1.786 ( 6.377 3.237 3.562) 7.990 1.968 ( 1.410 6.869 4.097) 8.121 1.996 ( 0.053 3.326 -2.294) 4.040 2.158 ( 4.537 2.098 3.178) 5.923 2.243 ( 5.281 3.456 -2.691) 6.861 2.259 ( -2.762 -0.087 -0.742) 2.861 2.369 ( 2.679 -0.542 0.409) 2.763 2.577 ( -0.507 -0.777 0.550) 1.079 2.603 ( -0.762 -0.219 2.953) 3.057 2.749 ( 0.762 -0.993 -5.483) 5.624 2.868 ( -1.342 4.687 -0.412) 4.893 2.996 ( -0.171 0.745 -0.158) 0.780 3.121 ( -2.284 -2.137 -1.445) 3.445 3.259 ( -0.328 -2.563 1.219) 2.857 3.392 ( -0.726 -0.491 0.309) 0.929 3.661 ( 2.053 2.384 5.574) 6.400 3.861 ( -4.108 -6.342 1.041) 7.627 3.951 ( -1.946 -0.414 -0.761) 2.130 4.113 ( -0.699 -2.678 0.697) 2.854 5.585 ( -0.864 -0.350 -1.751) 1.983 5.636 ( 0.967 -1.253 -0.521) 1.666 5.797 ( -0.777 1.564 2.056) 2.698 5.896 ( 0.693 0.987 0.610) 1.351 5.949 ( 2.766 1.254 -1.045) 3.212 6.113 ( -2.141 -2.257 -1.202) 3.335 6.129 ( -1.985 -2.669 1.225) 3.545 6.230 ( -0.521 1.492 -0.144) 1.586 6.705 ( -2.528 -2.930 -2.215) 4.459 7.063 ( 0.121 0.454 0.740) 0.877 7.117 ( 0.634 0.363 -0.110) 0.739 7.354 ( -4.234 -4.097 0.490) 5.912 8.465 ( -1.514 -2.107 -1.125) 2.828 8.624 ( -3.088 1.204 -0.184) 3.319 8.887 ( 3.575 -1.887 -1.186) 4.213 8.969 ( -2.062 1.325 -0.455) 2.493 9.272 ( 3.936 -0.583 3.707) 5.439 9.667 ( -1.202 -2.295 -1.601) 3.045 10.635 ( -0.827 3.530 0.572) 3.670 10.783 ( 1.303 -0.302 -2.846) 3.145 10.844 ( -0.569 2.236 -0.326) 2.330 10.988 ( 0.111 1.369 -0.446) 1.444 11.061 ( 3.683 0.626 2.052) 4.263 11.171 ( 0.411 0.292 0.013) 0.505 11.220 ( -0.485 2.900 1.914) 3.508 11.431 ( 1.875 1.258 -0.580) 2.331 11.495 ( 1.123 0.055 6.282) 6.381 11.943 ( 2.016 0.068 -4.453) 4.888 15.246 ( 0.702 0.626 0.409) 1.026 15.550 ( 0.764 0.670 -0.116) 1.023 16.291 ( -0.452 1.811 -1.378) 2.321 16.417 ( -2.690 1.239 0.914) 3.100 16.503 ( 1.434 3.505 1.948) 4.259 16.759 ( 4.698 1.811 -8.917) 10.240 17.507 ( -3.189 -6.366 2.035) 7.405 17.897 ( -6.708 -8.445 3.863) 11.456======================= Grid point 367 (107/116) =======================q-point: ( 0.50 0.50 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.090 ( -0.000 14.055 10.383) 17.474 1.259 ( -0.000 9.954 10.886) 14.750 1.300 ( 0.000 11.634 -5.027) 12.674 1.480 ( 0.000 13.832 -9.018) 16.512 1.636 ( -0.000 2.408 5.180) 5.712 1.655 ( 0.000 2.095 -1.279) 2.455 1.873 ( -0.000 4.386 7.475) 8.667 1.884 ( -0.000 2.392 2.561) 3.504 1.916 ( 0.000 2.504 -4.493) 5.143 2.066 ( 0.000 4.246 -4.109) 5.909 2.326 ( 0.000 -1.327 -0.132) 1.333 2.363 ( -0.000 0.887 0.026) 0.887 2.610 ( 0.000 -0.994 -0.445) 1.090 2.624 ( -0.000 -0.202 0.622) 0.654 2.782 ( -0.000 -4.545 6.662) 8.065 2.845 ( 0.000 -1.157 -0.149) 1.166 2.971 ( -0.000 1.007 0.222) 1.031 3.227 ( -0.000 -4.165 4.089) 5.837 3.308 ( 0.000 -0.496 -0.135) 0.514 3.443 ( 0.000 -1.979 -0.159) 1.986 3.570 ( 0.000 2.350 -7.627) 7.981 3.993 ( -0.000 -1.692 0.724) 1.840 4.049 ( 0.000 -0.873 -2.769) 2.904 4.128 ( 0.000 2.508 -1.876) 3.132 5.615 ( -0.000 -2.035 0.650) 2.136 5.668 ( 0.000 -1.084 -1.104) 1.547 5.797 ( 0.000 0.392 -2.365) 2.398 5.849 ( -0.000 3.785 0.115) 3.787 5.853 ( 0.000 1.899 -0.711) 2.028 6.112 ( -0.000 -0.721 2.242) 2.356 6.154 ( -0.000 1.882 0.523) 1.953 6.266 ( 0.000 1.537 -2.193) 2.678 6.902 ( -0.000 -10.342 2.187) 10.571 7.061 ( 0.000 0.346 -1.108) 1.161 7.080 ( -0.000 1.291 0.148) 1.300 7.634 ( -0.000 -12.437 2.362) 12.659 8.617 ( -0.000 -7.905 0.720) 7.937 8.663 ( -0.000 -2.336 0.028) 2.336 8.817 ( -0.000 3.339 0.736) 3.419 8.987 ( -0.000 -1.415 0.465) 1.490 9.174 ( 0.000 6.056 -1.109) 6.157 9.804 ( 0.000 -6.882 -0.915) 6.943 10.584 ( -0.000 0.419 0.169) 0.452 10.716 ( -0.000 3.107 0.236) 3.116 10.830 ( -0.000 -0.173 0.106) 0.203 10.964 ( 0.000 4.506 -0.741) 4.567 10.970 ( 0.000 0.228 -0.237) 0.329 11.122 ( 0.000 3.316 -0.668) 3.383 11.168 ( 0.000 0.419 -0.297) 0.514 11.244 ( -0.000 8.197 2.042) 8.448 11.433 ( 0.000 6.909 -1.813) 7.143 11.916 ( -0.000 -1.536 1.878) 2.427 15.212 ( -0.000 1.089 0.689) 1.289 15.518 ( 0.000 0.874 -0.266) 0.914 16.246 ( -0.000 0.273 1.643) 1.665 16.434 ( -0.000 0.489 0.344) 0.598 16.435 ( 0.000 2.144 -1.641) 2.700 16.509 ( -0.000 8.027 4.287) 9.100 17.756 ( 0.000 -7.368 -3.018) 7.962 18.323 ( 0.000 -14.176 -2.365) 14.371======================= Grid point 368 (108/116) =======================q-point: ( 0.60 0.50 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.309 ( 6.195 13.009 7.535) 16.260 1.389 ( 2.890 10.135 -3.371) 11.065 1.451 ( 5.182 8.176 8.221) 12.700 1.576 ( -0.559 8.501 -7.190) 11.148 1.626 ( 0.133 0.308 -0.608) 0.695 1.720 ( 2.540 4.263 -0.367) 4.976 1.922 ( 1.920 4.425 -0.626) 4.863 1.931 ( 2.151 2.784 -0.690) 3.586 2.006 ( 2.247 8.162 5.529) 10.111 2.103 ( 0.784 4.971 -2.956) 5.837 2.318 ( 0.942 -2.036 0.125) 2.247 2.359 ( -1.376 0.330 -0.198) 1.429 2.598 ( -0.237 -1.081 -0.268) 1.139 2.620 ( -0.425 -0.109 0.395) 0.591 2.753 ( -0.829 -3.521 4.393) 5.691 2.853 ( 1.717 0.300 -0.084) 1.745 2.985 ( 0.632 0.773 0.153) 1.010 3.183 ( -1.263 -3.921 0.657) 4.172 3.293 ( -0.968 -1.215 -0.595) 1.663 3.417 ( -0.727 -1.626 -0.266) 1.801 3.591 ( 0.763 4.718 -3.136) 5.716 3.978 ( -0.229 -2.109 0.581) 2.200 4.002 ( -1.943 -4.818 -1.100) 5.310 4.132 ( -0.781 0.615 -1.070) 1.461 5.602 ( 0.154 -1.715 0.645) 1.839 5.643 ( -1.288 -0.789 -0.675) 1.654 5.807 ( 1.194 0.275 -1.706) 2.101 5.875 ( 0.939 1.893 -1.036) 2.354 5.880 ( -0.327 3.237 1.062) 3.422 6.122 ( 0.911 -0.871 1.742) 2.150 6.164 ( -1.061 1.150 -0.289) 1.591 6.261 ( 0.155 -1.681 -1.286) 2.123 6.798 ( -2.382 -7.536 1.091) 7.979 7.061 ( 0.024 0.402 -0.686) 0.795 7.097 ( 0.410 1.169 0.105) 1.243 7.500 ( -3.368 -9.922 1.402) 10.572 8.529 ( -2.160 -4.864 0.212) 5.326 8.671 ( 2.422 -2.882 0.057) 3.765 8.831 ( -1.941 3.007 0.597) 3.629 8.988 ( 1.263 -1.061 0.444) 1.708 9.214 ( -0.827 4.690 -1.203) 4.912 9.727 ( -1.879 -4.779 -0.299) 5.144 10.614 ( 2.336 1.252 0.085) 2.652 10.746 ( 0.316 1.829 0.486) 1.919 10.836 ( 0.731 0.224 0.088) 0.770 10.969 ( 0.333 0.843 0.084) 0.911 11.001 ( -0.350 3.884 -1.246) 4.093 11.164 ( 0.187 0.462 -0.004) 0.498 11.191 ( 2.746 2.716 -0.859) 3.956 11.336 ( 1.733 6.032 2.058) 6.605 11.480 ( -0.008 4.284 -1.797) 4.645 11.912 ( 0.023 -0.569 1.456) 1.563 15.227 ( 0.330 1.106 0.288) 1.190 15.529 ( 0.347 1.081 -0.151) 1.146 16.272 ( 1.649 0.588 1.037) 2.035 16.430 ( 0.699 1.592 -0.423) 1.790 16.472 ( 1.077 0.531 0.912) 1.508 16.613 ( 2.287 6.122 3.100) 7.234 17.645 ( -3.733 -7.033 -2.631) 8.385 18.136 ( -5.482 -12.929 -2.111) 14.201======================= Grid point 369 (109/116) =======================q-point: ( 0.70 0.50 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.482 ( 1.826 3.162 -0.000) 3.652 1.547 ( 2.978 5.159 0.000) 5.957 1.575 ( 2.908 5.037 -0.000) 5.816 1.652 ( 5.357 9.278 0.000) 10.714 1.695 ( 4.026 6.973 -0.000) 8.051 1.766 ( 0.664 1.150 0.000) 1.328 2.003 ( 2.392 4.143 -0.000) 4.784 2.027 ( 2.732 4.733 0.000) 5.465 2.118 ( 2.892 5.010 0.000) 5.785 2.194 ( 4.412 7.641 -0.000) 8.823 2.317 ( -1.402 -2.429 -0.000) 2.805 2.319 ( -0.375 -0.650 -0.000) 0.750 2.578 ( -0.741 -1.283 -0.000) 1.481 2.617 ( 0.131 0.227 -0.000) 0.262 2.726 ( -0.615 -1.065 -0.000) 1.230 2.905 ( 2.047 3.545 -0.000) 4.094 3.005 ( 0.657 1.138 -0.000) 1.314 3.128 ( -1.594 -2.761 0.000) 3.188 3.247 ( -1.645 -2.850 -0.000) 3.290 3.396 ( -0.397 -0.688 -0.000) 0.794 3.660 ( 2.726 4.721 0.000) 5.452 3.867 ( -5.135 -8.895 -0.000) 10.271 3.966 ( -0.545 -0.945 -0.000) 1.091 4.104 ( -1.507 -2.609 0.000) 3.013 5.589 ( -0.448 -0.776 -0.000) 0.896 5.618 ( -0.445 -0.771 0.000) 0.890 5.819 ( 0.261 0.451 -0.000) 0.521 5.900 ( 0.576 0.997 -0.000) 1.151 5.922 ( 1.678 2.907 -0.000) 3.357 6.122 ( -2.363 -4.092 0.000) 4.725 6.127 ( -0.251 -0.435 -0.000) 0.502 6.247 ( -0.035 -0.061 -0.000) 0.071 6.707 ( -2.196 -3.803 -0.000) 4.392 7.066 ( 0.251 0.434 0.000) 0.502 7.112 ( 0.365 0.631 -0.000) 0.729 7.372 ( -3.271 -5.666 -0.000) 6.542 8.465 ( -1.440 -2.494 -0.000) 2.880 8.672 ( -0.342 -0.592 -0.000) 0.684 8.828 ( 0.010 0.018 -0.000) 0.021 9.000 ( 0.232 0.401 -0.000) 0.463 9.233 ( 0.479 0.830 -0.000) 0.958 9.662 ( -1.540 -2.667 -0.000) 3.080 10.673 ( 1.957 3.389 -0.000) 3.914 10.758 ( 0.015 0.026 -0.000) 0.030 10.860 ( 1.010 1.749 -0.000) 2.020 11.011 ( 1.731 2.998 0.000) 3.462 11.014 ( 0.425 0.736 -0.000) 0.850 11.168 ( 0.166 0.287 -0.000) 0.331 11.251 ( 1.382 2.393 -0.000) 2.764 11.408 ( 1.346 2.331 -0.000) 2.692 11.503 ( 0.433 0.749 -0.000) 0.865 11.916 ( 0.234 0.405 -0.000) 0.468 15.244 ( 0.488 0.845 -0.000) 0.975 15.546 ( 0.540 0.935 -0.000) 1.080 16.301 ( 0.575 0.995 -0.000) 1.149 16.486 ( 0.557 0.965 0.000) 1.114 16.487 ( 2.103 3.642 -0.000) 4.205 16.705 ( 2.315 4.010 0.000) 4.630 17.502 ( -4.335 -7.509 -0.000) 8.670 17.918 ( -6.263 -10.848 -0.000) 12.527======================= Grid point 379 (110/116) =======================q-point: ( 0.60 0.60 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.410 ( -0.000 13.656 6.072) 14.945 1.441 ( 0.000 6.880 -1.513) 7.045 1.515 ( -0.000 7.951 5.509) 9.673 1.604 ( 0.000 -0.845 -0.000) 0.845 1.690 ( 0.000 13.301 -6.195) 14.673 1.720 ( -0.000 2.075 1.511) 2.566 1.903 ( 0.000 2.774 -6.204) 6.796 1.946 ( -0.000 2.199 2.341) 3.212 2.110 ( -0.000 9.435 1.948) 9.634 2.145 ( -0.000 7.307 0.542) 7.327 2.283 ( -0.000 -3.411 0.152) 3.414 2.375 ( 0.000 0.657 -0.377) 0.758 2.587 ( 0.000 -0.861 -0.794) 1.171 2.621 ( 0.000 -0.673 -0.831) 1.070 2.752 ( -0.000 -2.347 6.345) 6.765 2.826 ( 0.000 -0.600 -0.502) 0.782 2.986 ( -0.000 0.531 0.113) 0.543 3.158 ( -0.000 -3.754 0.370) 3.773 3.290 ( 0.000 -1.106 -0.652) 1.284 3.407 ( 0.000 -1.552 -0.362) 1.594 3.624 ( 0.000 5.736 -4.040) 7.016 3.960 ( 0.000 -6.894 -1.171) 6.993 3.962 ( -0.000 -2.126 0.818) 2.278 4.140 ( 0.000 0.041 -1.556) 1.556 5.589 ( -0.000 -1.423 1.477) 2.051 5.650 ( -0.000 -0.409 0.384) 0.561 5.786 ( 0.000 0.293 -2.850) 2.865 5.881 ( 0.000 1.482 -0.460) 1.551 5.921 ( -0.000 3.379 0.712) 3.453 6.113 ( -0.000 -0.664 2.048) 2.153 6.194 ( -0.000 1.850 0.429) 1.899 6.214 ( 0.000 -5.098 -2.328) 5.604 6.757 ( -0.000 -6.257 2.244) 6.647 7.060 ( 0.000 0.334 -1.042) 1.095 7.106 ( -0.000 1.176 0.295) 1.213 7.439 ( -0.000 -8.855 0.407) 8.864 8.506 ( -0.000 -4.394 0.973) 4.500 8.618 ( -0.000 -2.250 0.136) 2.254 8.888 ( -0.000 3.164 1.259) 3.405 8.961 ( -0.000 -1.562 0.380) 1.607 9.266 ( 0.000 4.996 -3.357) 6.019 9.704 ( -0.000 -3.737 1.040) 3.879 10.596 ( -0.000 0.711 0.136) 0.724 10.769 ( -0.000 1.818 2.087) 2.768 10.825 ( -0.000 -0.451 0.090) 0.460 10.976 ( 0.000 0.509 -0.234) 0.560 11.041 ( 0.000 4.322 -1.680) 4.637 11.172 ( 0.000 0.146 -0.241) 0.282 11.177 ( 0.000 2.813 -1.430) 3.156 11.388 ( -0.000 4.872 2.706) 5.573 11.502 ( 0.000 3.155 -6.589) 7.306 11.924 ( -0.000 0.715 3.911) 3.975 15.235 ( 0.000 1.148 -0.168) 1.160 15.537 ( -0.000 1.194 0.024) 1.194 16.263 ( -0.000 0.274 1.732) 1.753 16.420 ( 0.000 -1.827 -0.404) 1.871 16.466 ( 0.000 2.186 -1.564) 2.688 16.684 ( -0.000 6.124 8.044) 10.110 17.605 ( 0.000 -6.172 -2.977) 6.852 18.050 ( 0.000 -12.123 -3.751) 12.691======================= Grid point 462 (111/116) =======================q-point: ( 0.40 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.789 ( -0.000 0.000 18.870) 18.870 0.789 ( -0.000 0.000 18.870) 18.870 1.130 ( 0.000 -0.000 -14.325) 14.325 1.130 ( 0.000 -0.000 -14.325) 14.325 1.411 ( -0.000 0.000 27.607) 27.607 1.708 ( 0.000 -0.000 -0.638) 0.638 1.834 ( -0.000 0.000 1.707) 1.707 1.834 ( -0.000 0.000 1.707) 1.707 1.857 ( 0.000 -0.000 -3.300) 3.300 2.031 ( 0.000 -0.000 -7.430) 7.430 2.341 ( 0.000 -0.000 -0.182) 0.182 2.341 ( 0.000 -0.000 -0.182) 0.182 2.631 ( -0.000 0.000 0.051) 0.051 2.631 ( -0.000 0.000 0.051) 0.051 2.887 ( -0.000 0.000 0.225) 0.225 2.887 ( -0.000 0.000 0.225) 0.225 2.931 ( -0.000 0.000 0.431) 0.431 3.315 ( 0.000 -0.000 -0.023) 0.023 3.435 ( -0.000 0.000 12.043) 12.043 3.489 ( -0.000 0.000 0.104) 0.104 3.489 ( -0.000 0.000 0.104) 0.104 3.980 ( 0.000 -0.000 -15.880) 15.880 4.026 ( -0.000 0.000 0.521) 0.521 4.026 ( -0.000 0.000 0.521) 0.521 5.682 ( -0.000 0.000 0.378) 0.378 5.682 ( -0.000 0.000 0.378) 0.378 5.777 ( 0.000 -0.000 -2.039) 2.039 5.777 ( 0.000 -0.000 -2.039) 2.039 5.800 ( -0.000 0.000 0.101) 0.101 6.111 ( 0.000 -0.000 -0.141) 0.141 6.132 ( -0.000 0.000 1.618) 1.618 6.132 ( -0.000 0.000 1.618) 1.618 7.053 ( 0.000 -0.000 -0.795) 0.795 7.053 ( 0.000 -0.000 -0.795) 0.795 7.184 ( -0.000 0.000 7.620) 7.620 7.972 ( 0.000 -0.000 -7.795) 7.795 8.714 ( -0.000 0.000 0.096) 0.096 8.714 ( -0.000 0.000 0.096) 0.096 8.931 ( -0.000 0.000 2.459) 2.459 9.016 ( -0.000 0.000 0.218) 0.218 9.016 ( -0.000 0.000 0.218) 0.218 10.056 ( 0.000 -0.000 -0.623) 0.623 10.578 ( -0.000 0.000 0.156) 0.156 10.578 ( -0.000 0.000 0.156) 0.156 10.831 ( -0.000 0.000 0.105) 0.105 10.831 ( -0.000 0.000 0.105) 0.105 10.969 ( 0.000 -0.000 -0.130) 0.130 10.969 ( 0.000 -0.000 -0.130) 0.130 11.156 ( 0.000 -0.000 -0.613) 0.613 11.156 ( 0.000 -0.000 -0.259) 0.259 11.156 ( 0.000 -0.000 -0.259) 0.259 11.965 ( -0.000 0.000 0.377) 0.377 15.187 ( -0.000 0.000 1.179) 1.179 15.509 ( 0.000 -0.000 -0.344) 0.344 16.245 ( -0.000 0.000 1.140) 1.140 16.245 ( -0.000 0.000 1.140) 1.140 16.385 ( 0.000 -0.000 -1.322) 1.322 16.385 ( 0.000 -0.000 -1.322) 1.322 17.955 ( -0.000 0.000 1.309) 1.309 18.690 ( 0.000 -0.000 -1.017) 1.017======================= Grid point 463 (112/116) =======================q-point: ( 0.50 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.897 ( 8.042 4.643 15.889) 18.404 1.029 ( 10.065 5.811 8.888) 14.632 1.099 ( 6.264 3.616 -7.928) 10.731 1.244 ( 10.201 5.890 -13.097) 17.615 1.519 ( 1.957 1.130 19.174) 19.307 1.688 ( -1.155 -0.667 -1.569) 2.059 1.828 ( -0.237 -0.137 2.148) 2.165 1.862 ( 1.753 1.012 -0.031) 2.024 1.876 ( 2.607 1.505 -1.839) 3.528 2.013 ( 0.676 0.390 -5.391) 5.447 2.337 ( -0.284 -0.164 0.043) 0.331 2.348 ( 0.602 0.348 -0.180) 0.718 2.623 ( -0.686 -0.396 0.247) 0.830 2.632 ( -0.010 -0.006 -0.246) 0.247 2.861 ( -2.305 -1.331 2.464) 3.627 2.868 ( -1.296 -0.748 0.331) 1.532 2.948 ( 1.107 0.639 0.250) 1.303 3.313 ( -0.159 -0.092 0.008) 0.184 3.331 ( -5.893 -3.402 11.398) 13.275 3.475 ( -1.242 -0.717 0.128) 1.440 3.551 ( 0.418 0.241 -8.721) 8.735 4.000 ( 4.435 2.561 -7.516) 9.095 4.021 ( -0.627 -0.362 0.025) 0.725 4.060 ( 2.393 1.382 0.692) 2.849 5.669 ( -1.480 -0.855 -1.198) 2.087 5.676 ( -0.292 -0.169 0.137) 0.364 5.767 ( 0.108 0.062 0.796) 0.805 5.805 ( 2.254 1.302 -2.369) 3.520 5.813 ( 1.122 0.648 0.227) 1.315 6.120 ( 0.673 0.389 -0.042) 0.778 6.144 ( 0.429 0.248 -0.025) 0.496 6.182 ( 3.599 2.078 1.354) 4.371 7.049 ( -0.007 -0.004 -0.122) 0.123 7.062 ( 0.815 0.471 -1.000) 1.373 7.107 ( -7.921 -4.573 3.583) 9.823 7.855 ( -8.159 -4.711 -1.907) 9.613 8.700 ( -1.264 -0.730 0.017) 1.460 8.735 ( 0.549 0.317 0.075) 0.639 8.823 ( -6.673 -3.853 1.281) 7.811 9.011 ( -0.618 -0.357 0.007) 0.713 9.063 ( 3.316 1.914 0.880) 3.928 9.954 ( -7.098 -4.098 -0.867) 8.242 10.580 ( 0.137 0.079 0.059) 0.169 10.645 ( 4.554 2.629 -0.902) 5.335 10.831 ( 0.029 0.017 0.084) 0.091 10.885 ( 3.393 1.959 0.034) 3.918 10.967 ( -0.051 -0.029 -0.017) 0.061 11.050 ( 6.167 3.561 -0.240) 7.125 11.113 ( 1.498 0.865 -0.207) 1.742 11.159 ( 0.306 0.177 -0.093) 0.365 11.278 ( 6.035 3.485 0.616) 6.996 11.951 ( -1.090 -0.630 0.546) 1.372 15.196 ( 0.483 0.279 0.890) 1.050 15.508 ( 0.151 0.087 -0.326) 0.369 16.257 ( 0.471 0.272 -0.347) 0.645 16.319 ( 5.393 3.114 1.840) 6.494 16.387 ( 0.842 0.486 0.158) 0.985 16.434 ( 4.533 2.617 -1.874) 5.559 17.891 ( -5.801 -3.349 0.509) 6.718 18.569 ( -9.919 -5.727 -1.019) 11.498======================= Grid point 464 (113/116) =======================q-point: ( 0.60 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.180 ( 12.530 7.234 10.855) 18.088 1.193 ( 9.968 5.755 -9.814) 15.126 1.385 ( 13.653 7.883 9.703) 18.512 1.417 ( 8.042 4.643 -12.938) 15.926 1.609 ( 1.492 0.861 8.260) 8.438 1.665 ( 0.522 0.301 -0.798) 0.999 1.852 ( 0.801 0.463 5.745) 5.819 1.905 ( 2.332 1.346 -1.557) 3.110 1.954 ( 5.970 3.447 -4.466) 8.214 2.043 ( 3.365 1.943 -1.048) 4.024 2.325 ( -1.067 -0.616 0.115) 1.238 2.362 ( 0.619 0.357 0.100) 0.722 2.605 ( -1.001 -0.578 0.485) 1.253 2.629 ( -0.208 -0.120 -0.341) 0.418 2.813 ( -2.686 -1.551 1.124) 3.299 2.843 ( -1.095 -0.632 0.426) 1.334 2.971 ( 0.894 0.516 0.065) 1.035 3.244 ( -4.591 -2.651 1.735) 5.578 3.306 ( -0.552 -0.319 0.138) 0.653 3.441 ( -1.793 -1.035 0.258) 2.087 3.541 ( 2.057 1.188 -3.181) 3.970 3.999 ( -1.330 -0.768 -0.434) 1.595 4.038 ( -0.680 -0.393 -0.912) 1.204 4.112 ( 1.865 1.077 1.374) 2.555 5.627 ( -1.714 -0.989 -1.599) 2.544 5.664 ( -0.676 -0.390 -0.398) 0.876 5.775 ( 0.073 0.042 2.033) 2.035 5.846 ( 1.637 0.945 0.597) 1.982 5.858 ( 3.063 1.768 -1.521) 3.850 6.127 ( -0.111 -0.064 -0.785) 0.795 6.161 ( 1.419 0.819 -0.723) 1.791 6.246 ( 0.925 0.534 1.693) 2.001 6.917 ( -8.663 -5.001 -0.647) 10.024 7.052 ( 0.181 0.104 0.587) 0.623 7.083 ( 1.158 0.669 -0.596) 1.464 7.642 ( -10.481 -6.051 0.693) 12.123 8.622 ( -6.731 -3.886 -0.320) 7.779 8.663 ( -2.002 -1.156 -0.074) 2.313 8.824 ( 3.104 1.792 -0.677) 3.647 8.990 ( -1.181 -0.682 -0.216) 1.380 9.157 ( 4.587 2.649 2.184) 5.730 9.805 ( -5.745 -3.317 -1.182) 6.738 10.585 ( 0.376 0.217 -0.053) 0.438 10.726 ( 3.053 1.763 -1.601) 3.872 10.831 ( -0.131 -0.076 0.014) 0.152 10.959 ( 3.502 2.022 0.275) 4.053 10.968 ( 0.168 0.097 0.115) 0.226 11.117 ( 2.455 1.417 0.316) 2.852 11.166 ( 0.333 0.192 0.101) 0.398 11.261 ( 8.043 4.644 -1.142) 9.358 11.402 ( 4.595 2.653 4.118) 6.716 11.931 ( -0.545 -0.315 -1.034) 1.210 15.213 ( 0.888 0.513 0.484) 1.134 15.517 ( 0.769 0.444 -0.212) 0.913 16.262 ( 0.350 0.202 -1.523) 1.576 16.414 ( 1.761 1.017 3.349) 3.918 16.420 ( 1.768 1.021 1.340) 2.442 16.562 ( 7.478 4.317 -4.869) 9.913 17.741 ( -7.278 -4.202 0.097) 8.405 18.306 ( -13.045 -7.531 0.620) 15.075======================= Grid point 474 (114/116) =======================q-point: ( 0.50 0.50 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.930 ( -0.000 6.550 15.436) 16.769 1.044 ( 0.000 8.046 -10.193) 12.986 1.107 ( -0.000 11.925 10.895) 16.152 1.192 ( 0.000 12.051 -13.115) 17.811 1.579 ( -0.000 2.349 11.084) 11.331 1.679 ( 0.000 -1.319 -2.486) 2.814 1.844 ( -0.000 1.242 1.485) 1.936 1.854 ( -0.000 1.464 1.568) 2.145 1.864 ( 0.000 1.685 -2.686) 3.171 2.001 ( 0.000 1.257 -3.208) 3.445 2.339 ( 0.000 -0.270 -0.199) 0.336 2.347 ( -0.000 0.707 0.087) 0.712 2.626 ( 0.000 -0.674 -0.188) 0.700 2.629 ( -0.000 -0.199 0.274) 0.339 2.865 ( -0.000 -2.433 1.662) 2.947 2.870 ( 0.000 -1.411 -0.047) 1.411 2.949 ( -0.000 1.266 0.125) 1.272 3.313 ( 0.000 -0.160 -0.014) 0.160 3.364 ( -0.000 -7.793 8.743) 11.712 3.476 ( 0.000 -1.375 -0.053) 1.376 3.526 ( 0.000 -0.019 -6.840) 6.840 3.981 ( 0.000 6.250 -4.319) 7.598 4.019 ( -0.000 -0.861 0.331) 0.923 4.064 ( 0.000 3.182 -0.328) 3.199 5.658 ( -0.000 -2.024 0.927) 2.226 5.682 ( 0.000 -0.632 -1.038) 1.215 5.782 ( 0.000 0.591 -1.976) 2.062 5.788 ( -0.000 2.574 0.978) 2.754 5.815 ( 0.000 1.562 -0.282) 1.588 6.119 ( -0.000 0.688 0.035) 0.688 6.136 ( -0.000 0.035 1.555) 1.555 6.193 ( 0.000 4.488 -0.799) 4.558 7.052 ( 0.000 0.222 -0.702) 0.736 7.056 ( -0.000 0.464 0.221) 0.514 7.116 ( -0.000 -9.446 1.904) 9.636 7.849 ( 0.000 -8.786 -0.930) 8.835 8.700 ( -0.000 -1.481 0.032) 1.481 8.735 ( -0.000 0.726 0.101) 0.733 8.824 ( -0.000 -8.247 1.051) 8.314 9.009 ( -0.000 -0.797 0.269) 0.841 9.070 ( 0.000 4.391 -0.375) 4.407 9.952 ( 0.000 -8.418 -0.330) 8.425 10.580 ( -0.000 0.128 0.115) 0.172 10.640 ( -0.000 4.766 0.101) 4.767 10.832 ( -0.000 0.026 0.051) 0.058 10.885 ( 0.000 3.956 -0.065) 3.957 10.968 ( 0.000 -0.013 -0.143) 0.143 11.048 ( -0.000 6.832 0.277) 6.838 11.113 ( 0.000 1.889 -0.217) 1.902 11.159 ( 0.000 0.405 -0.182) 0.444 11.284 ( 0.000 7.957 -0.633) 7.982 11.952 ( -0.000 -1.474 0.541) 1.570 15.198 ( -0.000 0.559 0.478) 0.736 15.507 ( 0.000 0.170 -0.198) 0.261 16.248 ( -0.000 0.051 1.266) 1.267 16.335 ( 0.000 7.470 -1.033) 7.541 16.395 ( 0.000 1.433 -1.264) 1.911 16.416 ( -0.000 3.548 1.648) 3.912 17.894 ( -0.000 -6.783 0.253) 6.788 18.568 ( 0.000 -11.107 -1.110) 11.162======================= Grid point 475 (115/116) =======================q-point: ( 0.60 0.50 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.114 ( 5.871 10.169 -0.000) 11.742 1.136 ( 6.283 10.883 0.000) 12.566 1.328 ( 6.424 11.127 -0.000) 12.848 1.333 ( 6.387 11.062 0.000) 12.774 1.630 ( 1.914 3.316 0.000) 3.829 1.655 ( -0.888 -1.537 -0.000) 1.775 1.875 ( 1.503 2.604 -0.000) 3.007 1.877 ( 0.596 1.033 0.000) 1.192 1.906 ( 2.355 4.080 0.000) 4.711 2.024 ( 1.541 2.669 -0.000) 3.082 2.336 ( -0.129 -0.224 -0.000) 0.259 2.354 ( 0.143 0.247 -0.000) 0.285 2.615 ( -0.425 -0.735 -0.000) 0.849 2.625 ( -0.203 -0.352 -0.000) 0.406 2.826 ( -1.820 -3.153 -0.000) 3.641 2.856 ( -0.334 -0.578 -0.000) 0.668 2.967 ( 0.632 1.094 -0.000) 1.264 3.277 ( -3.286 -5.691 -0.000) 6.572 3.308 ( -0.291 -0.503 -0.000) 0.581 3.451 ( -1.037 -1.796 -0.000) 2.074 3.524 ( 0.974 1.687 0.000) 1.948 4.006 ( -0.582 -1.008 -0.000) 1.164 4.035 ( 0.824 1.427 -0.000) 1.648 4.102 ( 1.203 2.083 0.000) 2.405 5.636 ( -0.920 -1.593 -0.000) 1.839 5.661 ( -0.727 -1.259 0.000) 1.454 5.796 ( 0.418 0.723 -0.000) 0.835 5.819 ( 1.429 2.475 -0.000) 2.857 5.842 ( 1.086 1.880 -0.000) 2.171 6.136 ( 0.650 1.125 -0.000) 1.299 6.137 ( -0.100 -0.173 -0.000) 0.199 6.246 ( 1.540 2.668 -0.000) 3.080 6.967 ( -5.451 -9.441 -0.000) 10.901 7.053 ( 0.134 0.232 -0.000) 0.268 7.075 ( 0.590 1.022 -0.000) 1.180 7.703 ( -5.925 -10.262 -0.000) 11.849 8.636 ( -3.342 -5.788 -0.000) 6.683 8.730 ( -1.927 -3.338 -0.000) 3.855 8.776 ( 1.335 2.312 -0.000) 2.669 9.003 ( -0.270 -0.468 -0.000) 0.541 9.128 ( 2.289 3.965 -0.000) 4.578 9.837 ( -3.848 -6.665 -0.000) 7.696 10.592 ( 0.585 1.013 -0.000) 1.170 10.698 ( 1.812 3.139 -0.000) 3.624 10.833 ( 0.069 0.119 -0.000) 0.137 10.933 ( 1.704 2.952 -0.000) 3.408 10.962 ( -0.034 -0.060 -0.000) 0.069 11.134 ( 1.563 2.707 -0.000) 3.126 11.156 ( 0.779 1.350 -0.000) 1.559 11.199 ( 4.337 7.513 -0.000) 8.675 11.382 ( 3.256 5.640 -0.000) 6.513 11.933 ( -0.694 -1.201 -0.000) 1.387 15.209 ( 0.457 0.792 -0.000) 0.915 15.513 ( 0.346 0.599 -0.000) 0.691 16.262 ( 0.429 0.744 -0.000) 0.859 16.383 ( 1.253 2.171 -0.000) 2.507 16.459 ( 1.161 2.011 -0.000) 2.323 16.485 ( 4.208 7.288 0.000) 8.416 17.783 ( -4.348 -7.531 -0.000) 8.696 18.382 ( -7.336 -12.706 -0.000) 14.672======================= Grid point 586 (116/116) =======================q-point: (-0.50 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 58Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.949 ( -0.000 0.000 0.000) 0.000 0.949 ( -0.000 0.000 0.000) 0.000 0.993 ( 0.000 -0.000 -0.000) 0.000 0.993 ( 0.000 -0.000 -0.000) 0.000 1.588 ( -0.000 0.000 0.000) 0.000 1.681 ( -0.000 0.000 0.000) 0.000 1.835 ( -0.000 0.000 0.000) 0.000 1.842 ( -0.000 0.000 0.000) 0.000 1.842 ( -0.000 0.000 0.000) 0.000 1.987 ( 0.000 -0.000 -0.000) 0.000 2.340 ( -0.000 0.000 0.000) 0.000 2.340 ( -0.000 0.000 0.000) 0.000 2.632 ( -0.000 0.000 0.000) 0.000 2.632 ( -0.000 0.000 0.000) 0.000 2.888 ( -0.000 0.000 0.000) 0.000 2.888 ( -0.000 0.000 0.000) 0.000 2.933 ( -0.000 0.000 0.000) 0.000 3.315 ( -0.000 0.000 0.000) 0.000 3.489 ( -0.000 0.000 0.000) 0.000 3.489 ( -0.000 0.000 0.000) 0.000 3.520 ( -0.000 0.000 0.000) 0.000 3.876 ( -0.000 0.000 0.000) 0.000 4.028 ( -0.000 0.000 0.000) 0.000 4.028 ( -0.000 0.000 0.000) 0.000 5.684 ( -0.000 0.000 0.000) 0.000 5.684 ( -0.000 0.000 0.000) 0.000 5.767 ( -0.000 0.000 0.000) 0.000 5.767 ( -0.000 0.000 0.000) 0.000 5.801 ( -0.000 0.000 0.000) 0.000 6.111 ( -0.000 0.000 0.000) 0.000 6.141 ( -0.000 0.000 0.000) 0.000 6.141 ( -0.000 0.000 0.000) 0.000 7.049 ( -0.000 0.000 0.000) 0.000 7.049 ( -0.000 0.000 0.000) 0.000 7.223 ( -0.000 0.000 0.000) 0.000 7.931 ( -0.000 0.000 0.000) 0.000 8.714 ( -0.000 0.000 0.000) 0.000 8.714 ( -0.000 0.000 0.000) 0.000 8.944 ( -0.000 0.000 0.000) 0.000 9.017 ( -0.000 0.000 0.000) 0.000 9.017 ( -0.000 0.000 0.000) 0.000 10.053 ( -0.000 0.000 0.000) 0.000 10.579 ( -0.000 0.000 0.000) 0.000 10.579 ( -0.000 0.000 0.000) 0.000 10.831 ( -0.000 0.000 0.000) 0.000 10.831 ( -0.000 0.000 0.000) 0.000 10.968 ( -0.000 0.000 0.000) 0.000 10.968 ( -0.000 0.000 0.000) 0.000 11.152 ( -0.000 0.000 0.000) 0.000 11.154 ( -0.000 0.000 0.000) 0.000 11.154 ( -0.000 0.000 0.000) 0.000 11.967 ( -0.000 0.000 0.000) 0.000 15.194 ( -0.000 0.000 0.000) 0.000 15.506 ( -0.000 0.000 0.000) 0.000 16.251 ( -0.000 0.000 0.000) 0.000 16.251 ( -0.000 0.000 0.000) 0.000 16.378 ( -0.000 0.000 0.000) 0.000 16.378 ( -0.000 -0.000 0.000) 0.000 17.967 ( -0.000 0.000 0.000) 0.000 18.680 ( -0.000 0.000 0.000) 0.000=================== 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 3/60000 10.0 74.272 74.272 23.061 0.000 -0.000 0.000 3/60000 20.0 18.050 18.050 6.789 0.000 -0.000 0.000 3/60000 30.0 8.898 8.898 3.411 0.000 -0.000 0.000 3/60000 40.0 5.730 5.730 2.230 0.000 -0.000 0.000 3/60000 50.0 4.197 4.197 1.668 0.000 -0.000 0.000 3/60000 60.0 3.308 3.308 1.346 0.000 -0.000 0.000 3/60000 70.0 2.733 2.733 1.137 0.000 -0.000 0.000 3/60000 80.0 2.333 2.333 0.991 0.000 -0.000 0.000 3/60000 90.0 2.039 2.039 0.882 0.000 -0.000 0.000 3/60000 100.0 1.814 1.814 0.798 0.000 -0.000 0.000 3/60000 110.0 1.637 1.637 0.732 0.000 -0.000 0.000 3/60000 120.0 1.494 1.494 0.677 0.000 -0.000 0.000 3/60000 130.0 1.376 1.376 0.631 0.000 -0.000 0.000 3/60000 140.0 1.277 1.277 0.593 0.000 -0.000 0.000 3/60000 150.0 1.193 1.193 0.560 0.000 -0.000 0.000 3/60000 160.0 1.120 1.120 0.530 0.000 -0.000 0.000 3/60000 170.0 1.056 1.056 0.505 0.000 -0.000 0.000 3/60000 180.0 1.000 1.000 0.482 0.000 -0.000 0.000 3/60000 190.0 0.949 0.949 0.461 0.000 -0.000 0.000 3/60000 200.0 0.905 0.905 0.442 0.000 -0.000 0.000 3/60000 210.0 0.864 0.864 0.425 0.000 -0.000 0.000 3/60000 220.0 0.827 0.827 0.410 0.000 -0.000 0.000 3/60000 230.0 0.793 0.793 0.395 0.000 -0.000 0.000 3/60000 240.0 0.763 0.763 0.382 0.000 -0.000 0.000 3/60000 250.0 0.734 0.734 0.369 0.000 -0.000 0.000 3/60000 260.0 0.708 0.708 0.357 0.000 -0.000 0.000 3/60000 270.0 0.683 0.683 0.346 0.000 -0.000 0.000 3/60000 280.0 0.661 0.661 0.336 0.000 -0.000 0.000 3/60000 290.0 0.639 0.639 0.326 0.000 -0.000 0.000 3/60000 300.0 0.619 0.619 0.317 0.000 -0.000 0.000 3/60000 310.0 0.601 0.601 0.308 0.000 -0.000 0.000 3/60000 320.0 0.583 0.583 0.300 0.000 -0.000 0.000 3/60000 330.0 0.567 0.567 0.292 0.000 -0.000 0.000 3/60000 340.0 0.551 0.551 0.285 0.000 -0.000 0.000 3/60000 350.0 0.536 0.536 0.278 0.000 -0.000 0.000 3/60000 360.0 0.522 0.522 0.271 0.000 -0.000 0.000 3/60000 370.0 0.509 0.509 0.265 0.000 -0.000 0.000 3/60000 380.0 0.496 0.496 0.259 0.000 -0.000 0.000 3/60000 390.0 0.484 0.484 0.253 0.000 -0.000 0.000 3/60000 400.0 0.473 0.473 0.247 0.000 -0.000 0.000 3/60000 410.0 0.462 0.462 0.242 0.000 -0.000 0.000 3/60000 420.0 0.451 0.451 0.237 0.000 -0.000 0.000 3/60000 430.0 0.441 0.441 0.232 0.000 -0.000 0.000 3/60000 440.0 0.432 0.432 0.227 0.000 -0.000 0.000 3/60000 450.0 0.422 0.422 0.222 0.000 -0.000 0.000 3/60000 460.0 0.414 0.414 0.218 0.000 -0.000 0.000 3/60000 470.0 0.405 0.405 0.214 0.000 -0.000 0.000 3/60000 480.0 0.397 0.397 0.210 0.000 -0.000 0.000 3/60000 490.0 0.389 0.389 0.206 0.000 -0.000 0.000 3/60000 500.0 0.382 0.382 0.202 0.000 -0.000 0.000 3/60000 510.0 0.375 0.375 0.198 0.000 -0.000 0.000 3/60000 520.0 0.368 0.368 0.195 0.000 -0.000 0.000 3/60000 530.0 0.361 0.361 0.191 0.000 -0.000 0.000 3/60000 540.0 0.355 0.355 0.188 0.000 -0.000 0.000 3/60000 550.0 0.348 0.348 0.185 0.000 -0.000 0.000 3/60000 560.0 0.342 0.342 0.182 0.000 -0.000 0.000 3/60000 570.0 0.336 0.336 0.179 0.000 -0.000 0.000 3/60000 580.0 0.331 0.331 0.176 0.000 -0.000 0.000 3/60000 590.0 0.325 0.325 0.173 0.000 -0.000 0.000 3/60000 600.0 0.320 0.320 0.170 0.000 -0.000 0.000 3/60000 610.0 0.315 0.315 0.168 0.000 -0.000 0.000 3/60000 620.0 0.310 0.310 0.165 0.000 -0.000 0.000 3/60000 630.0 0.305 0.305 0.163 0.000 -0.000 0.000 3/60000 640.0 0.301 0.301 0.160 0.000 -0.000 0.000 3/60000 650.0 0.296 0.296 0.158 0.000 -0.000 0.000 3/60000 660.0 0.292 0.292 0.156 0.000 -0.000 0.000 3/60000 670.0 0.288 0.288 0.153 0.000 -0.000 0.000 3/60000 680.0 0.283 0.283 0.151 0.000 -0.000 0.000 3/60000 690.0 0.279 0.279 0.149 0.000 -0.000 0.000 3/60000 700.0 0.276 0.276 0.147 0.000 -0.000 0.000 3/60000 710.0 0.272 0.272 0.145 0.000 -0.000 0.000 3/60000 720.0 0.268 0.268 0.143 0.000 -0.000 0.000 3/60000 730.0 0.264 0.264 0.141 0.000 -0.000 0.000 3/60000 740.0 0.261 0.261 0.140 0.000 -0.000 0.000 3/60000 750.0 0.258 0.258 0.138 0.000 -0.000 0.000 3/60000 760.0 0.254 0.254 0.136 0.000 -0.000 0.000 3/60000 770.0 0.251 0.251 0.134 0.000 -0.000 0.000 3/60000 780.0 0.248 0.248 0.133 0.000 -0.000 0.000 3/60000 790.0 0.245 0.245 0.131 0.000 -0.000 0.000 3/60000 800.0 0.242 0.242 0.129 0.000 -0.000 0.000 3/60000 810.0 0.239 0.239 0.128 0.000 -0.000 0.000 3/60000 820.0 0.236 0.236 0.126 0.000 -0.000 0.000 3/60000 830.0 0.233 0.233 0.125 0.000 -0.000 0.000 3/60000 840.0 0.230 0.230 0.123 0.000 -0.000 0.000 3/60000 850.0 0.228 0.228 0.122 0.000 -0.000 0.000 3/60000 860.0 0.225 0.225 0.121 0.000 -0.000 0.000 3/60000 870.0 0.223 0.223 0.119 0.000 -0.000 0.000 3/60000 880.0 0.220 0.220 0.118 0.000 -0.000 0.000 3/60000 890.0 0.218 0.218 0.117 0.000 -0.000 0.000 3/60000 900.0 0.215 0.215 0.115 0.000 -0.000 0.000 3/60000 910.0 0.213 0.213 0.114 0.000 -0.000 0.000 3/60000 920.0 0.211 0.211 0.113 0.000 -0.000 0.000 3/60000 930.0 0.208 0.208 0.112 0.000 -0.000 0.000 3/60000 940.0 0.206 0.206 0.111 0.000 -0.000 0.000 3/60000 950.0 0.204 0.204 0.110 0.000 -0.000 0.000 3/60000 960.0 0.202 0.202 0.108 0.000 -0.000 0.000 3/60000 970.0 0.200 0.200 0.107 0.000 -0.000 0.000 3/60000 980.0 0.198 0.198 0.106 0.000 -0.000 0.000 3/60000 990.0 0.196 0.196 0.105 0.000 -0.000 0.000 3/60000 1000.0 0.194 0.194 0.104 0.000 -0.000 0.000 3/60000Thermal conductivity related properties were written into "kappa-m101010.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 21:51:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|