# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/da0be8c7-a1e9-4783-8266-43bae68c1196/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 Nb(SeBr)2 / C2/m (12) / materials id 569623](https://mdr.nims.go.jp/datasets/a9878b15-0496-4860-aac7-b10467f155fc) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 18:42:04]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: C2/m (12)Number of symmetry operations in supercell: 32------------------------------ primitive cell ------------------------------Lattice vectors: a 3.291531075329872 -5.825863110000001 0.000000000000000 b 3.291531075329872 5.825863110000001 0.000000000000000 c -2.432356784862915 0.000000000000000 6.727534996875364Atomic positions (fractional): *1 Nb 0.87339810327858 0.12660189672142 0.00000000000000 92.906 2 Nb 0.12660189672142 0.87339810327858 0.00000000000000 92.906 *3 Se 0.13217545664698 0.13217545664698 0.32348850034923 78.960 *4 Se 0.34825227930194 0.34825227930194 0.12984130887960 78.960 5 Se 0.65174772069806 0.65174772069806 0.87015869112040 78.960 6 Se 0.86782454335302 0.86782454335302 0.67651149965077 78.960 *7 Br 0.43636519425188 0.01928606187957 0.77347928934785 79.904 8 Br 0.56363480574812 0.98071393812043 0.22652071065215 79.904 9 Br 0.01928606187957 0.43636519425188 0.77347928934785 79.904 10 Br 0.98071393812043 0.56363480574813 0.22652071065215 79.904-------------------------------- unit cell ---------------------------------Lattice vectors: a 6.583062150659743 0.000000000000000 0.000000000000000 b 0.000000000000000 11.651726220000002 0.000000000000000 c -2.432356784862915 0.000000000000000 6.727534996875364Atomic positions (fractional): *1 Nb 0.00000000000000 0.12660189672142 0.00000000000000 92.906 > 1 2 Nb 0.50000000000000 0.37339810327858 0.00000000000000 92.906 > 2 3 Nb 0.50000000000000 0.62660189672142 0.00000000000000 92.906 > 1 4 Nb 0.00000000000000 0.87339810327858 0.00000000000000 92.906 > 2 *5 Se 0.13217545664698 0.00000000000000 0.32348850034923 78.960 > 3 *6 Se 0.34825227930194 0.00000000000000 0.12984130887960 78.960 > 4 7 Se 0.65174772069806 0.00000000000000 0.87015869112040 78.960 > 5 8 Se 0.86782454335302 0.00000000000000 0.67651149965077 78.960 > 6 9 Se 0.63217545664698 0.50000000000000 0.32348850034923 78.960 > 3 10 Se 0.84825227930194 0.50000000000000 0.12984130887960 78.960 > 4 11 Se 0.15174772069806 0.50000000000000 0.87015869112040 78.960 > 5 12 Se 0.36782454335302 0.50000000000000 0.67651149965077 78.960 > 6 *13 Br 0.72782562806572 0.29146043381385 0.77347928934785 79.904 > 7 14 Br 0.77217437193428 0.20853956618615 0.22652071065215 79.904 > 8 15 Br 0.22782562806572 0.20853956618615 0.77347928934785 79.904 > 9 16 Br 0.27217437193428 0.29146043381385 0.22652071065215 79.904 > 10 17 Br 0.22782562806572 0.79146043381385 0.77347928934785 79.904 > 7 18 Br 0.27217437193428 0.70853956618615 0.22652071065215 79.904 > 8 19 Br 0.72782562806572 0.70853956618615 0.77347928934785 79.904 > 9 20 Br 0.77217437193428 0.79146043381385 0.22652071065215 79.904 > 10-------------------------------- super cell --------------------------------Lattice vectors: a 13.166124301319487 0.000000000000000 0.000000000000000 b 0.000000000000000 11.651726220000002 0.000000000000000 c -4.864713569725830 0.000000000000000 13.455069993750728Atomic positions (fractional): *1 Nb 0.00000000000000 0.12660189672142 0.00000000000000 92.906 > 1 2 Nb 0.50000000000000 0.12660189672142 0.00000000000000 92.906 > 1 3 Nb 0.00000000000000 0.12660189672142 0.50000000000000 92.906 > 1 4 Nb 0.50000000000000 0.12660189672142 0.50000000000000 92.906 > 1 5 Nb 0.25000000000000 0.37339810327858 0.00000000000000 92.906 > 2 6 Nb 0.75000000000000 0.37339810327858 0.00000000000000 92.906 > 2 7 Nb 0.25000000000000 0.37339810327858 0.50000000000000 92.906 > 2 8 Nb 0.75000000000000 0.37339810327858 0.50000000000000 92.906 > 2 9 Nb 0.25000000000000 0.62660189672142 0.00000000000000 92.906 > 1 10 Nb 0.75000000000000 0.62660189672142 0.00000000000000 92.906 > 1 11 Nb 0.25000000000000 0.62660189672142 0.50000000000000 92.906 > 1 12 Nb 0.75000000000000 0.62660189672142 0.50000000000000 92.906 > 1 13 Nb 0.00000000000000 0.87339810327858 0.00000000000000 92.906 > 2 14 Nb 0.50000000000000 0.87339810327858 0.00000000000000 92.906 > 2 15 Nb 0.00000000000000 0.87339810327858 0.50000000000000 92.906 > 2 16 Nb 0.50000000000000 0.87339810327858 0.50000000000000 92.906 > 2 *17 Se 0.06608772832349 0.00000000000000 0.16174425017462 78.960 > 3 18 Se 0.56608772832349 0.00000000000000 0.16174425017462 78.960 > 3 19 Se 0.06608772832349 0.00000000000000 0.66174425017462 78.960 > 3 20 Se 0.56608772832349 0.00000000000000 0.66174425017462 78.960 > 3 *21 Se 0.17412613965097 0.00000000000000 0.06492065443980 78.960 > 4 22 Se 0.67412613965097 0.00000000000000 0.06492065443980 78.960 > 4 23 Se 0.17412613965097 0.00000000000000 0.56492065443980 78.960 > 4 24 Se 0.67412613965097 0.00000000000000 0.56492065443980 78.960 > 4 25 Se 0.32587386034903 0.00000000000000 0.43507934556020 78.960 > 5 26 Se 0.82587386034903 0.00000000000000 0.43507934556020 78.960 > 5 27 Se 0.32587386034903 0.00000000000000 0.93507934556020 78.960 > 5 28 Se 0.82587386034903 0.00000000000000 0.93507934556020 78.960 > 5 29 Se 0.43391227167651 0.00000000000000 0.33825574982538 78.960 > 6 30 Se 0.93391227167651 0.00000000000000 0.33825574982538 78.960 > 6 31 Se 0.43391227167651 0.00000000000000 0.83825574982538 78.960 > 6 32 Se 0.93391227167651 0.00000000000000 0.83825574982538 78.960 > 6 33 Se 0.31608772832349 0.50000000000000 0.16174425017462 78.960 > 3 34 Se 0.81608772832349 0.50000000000000 0.16174425017462 78.960 > 3 35 Se 0.31608772832349 0.50000000000000 0.66174425017462 78.960 > 3 36 Se 0.81608772832349 0.50000000000000 0.66174425017462 78.960 > 3 37 Se 0.42412613965097 0.50000000000000 0.06492065443980 78.960 > 4 38 Se 0.92412613965097 0.50000000000000 0.06492065443980 78.960 > 4 39 Se 0.42412613965097 0.50000000000000 0.56492065443980 78.960 > 4 40 Se 0.92412613965097 0.50000000000000 0.56492065443980 78.960 > 4 41 Se 0.07587386034903 0.50000000000000 0.43507934556020 78.960 > 5 42 Se 0.57587386034903 0.50000000000000 0.43507934556020 78.960 > 5 43 Se 0.07587386034903 0.50000000000000 0.93507934556020 78.960 > 5 44 Se 0.57587386034903 0.50000000000000 0.93507934556020 78.960 > 5 45 Se 0.18391227167651 0.50000000000000 0.33825574982538 78.960 > 6 46 Se 0.68391227167651 0.50000000000000 0.33825574982538 78.960 > 6 47 Se 0.18391227167651 0.50000000000000 0.83825574982538 78.960 > 6 48 Se 0.68391227167651 0.50000000000000 0.83825574982538 78.960 > 6 *49 Br 0.36391281403286 0.29146043381385 0.38673964467393 79.904 > 7 50 Br 0.86391281403286 0.29146043381385 0.38673964467393 79.904 > 7 51 Br 0.36391281403286 0.29146043381385 0.88673964467393 79.904 > 7 52 Br 0.86391281403286 0.29146043381385 0.88673964467393 79.904 > 7 53 Br 0.38608718596714 0.20853956618615 0.11326035532607 79.904 > 8 54 Br 0.88608718596714 0.20853956618615 0.11326035532607 79.904 > 8 55 Br 0.38608718596714 0.20853956618615 0.61326035532607 79.904 > 8 56 Br 0.88608718596714 0.20853956618615 0.61326035532607 79.904 > 8 57 Br 0.11391281403286 0.20853956618615 0.38673964467393 79.904 > 9 58 Br 0.61391281403286 0.20853956618615 0.38673964467393 79.904 > 9 59 Br 0.11391281403286 0.20853956618615 0.88673964467393 79.904 > 9 60 Br 0.61391281403286 0.20853956618615 0.88673964467393 79.904 > 9 61 Br 0.13608718596714 0.29146043381385 0.11326035532607 79.904 > 10 62 Br 0.63608718596714 0.29146043381385 0.11326035532607 79.904 > 10 63 Br 0.13608718596714 0.29146043381385 0.61326035532607 79.904 > 10 64 Br 0.63608718596714 0.29146043381385 0.61326035532607 79.904 > 10 65 Br 0.11391281403286 0.79146043381385 0.38673964467393 79.904 > 7 66 Br 0.61391281403286 0.79146043381385 0.38673964467393 79.904 > 7 67 Br 0.11391281403286 0.79146043381385 0.88673964467393 79.904 > 7 68 Br 0.61391281403286 0.79146043381385 0.88673964467393 79.904 > 7 69 Br 0.13608718596714 0.70853956618615 0.11326035532607 79.904 > 8 70 Br 0.63608718596714 0.70853956618615 0.11326035532607 79.904 > 8 71 Br 0.13608718596714 0.70853956618615 0.61326035532607 79.904 > 8 72 Br 0.63608718596714 0.70853956618615 0.61326035532607 79.904 > 8 73 Br 0.36391281403286 0.70853956618615 0.38673964467393 79.904 > 9 74 Br 0.86391281403286 0.70853956618615 0.38673964467393 79.904 > 9 75 Br 0.36391281403286 0.70853956618615 0.88673964467393 79.904 > 9 76 Br 0.86391281403286 0.70853956618615 0.88673964467393 79.904 > 9 77 Br 0.38608718596714 0.79146043381385 0.11326035532607 79.904 > 10 78 Br 0.88608718596714 0.79146043381385 0.11326035532607 79.904 > 10 79 Br 0.38608718596714 0.79146043381385 0.61326035532607 79.904 > 10 80 Br 0.88608718596714 0.79146043381385 0.61326035532607 79.904 > 10----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 8.3834636 0.0000000 -0.3908550 0.0000000 8.1342576 0.0000000 -0.3908592 0.0000000 5.1925374-------------------------- Born effective charges -------------------------- 1 Nb 2.4629922 0.0000000 -0.0543918 0.0000000 1.7844317 0.0000000 0.0313403 0.0000000 0.6865569 2 Nb 2.4629922 0.0000000 -0.0543918 0.0000000 1.7844317 0.0000000 0.0313403 0.0000000 0.6865569 3 Se 0.0601014 0.0000000 -0.1344366 0.0000000 0.0980142 0.0000000 0.2575989 0.0000000 -0.0098366 4 Se -0.0835210 0.0000000 0.0422344 0.0000000 0.4126142 0.0000000 -0.4795954 0.0000000 0.1055209 5 Se -0.0835210 0.0000000 0.0422344 0.0000000 0.4126142 0.0000000 -0.4795954 0.0000000 0.1055209 6 Se 0.0601014 0.0000000 -0.1344366 0.0000000 0.0980142 0.0000000 0.2575989 0.0000000 -0.0098366 7 Br -1.2197862 0.8055075 0.0732970 0.5578417 -1.1475301 0.2815294 0.0953281 0.0802547 -0.3911206 8 Br -1.2197862 0.8055075 0.0732970 0.5578417 -1.1475301 0.2815294 0.0953281 0.0802547 -0.3911206 9 Br -1.2197862 -0.8055075 0.0732970 -0.5578417 -1.1475301 -0.2815294 0.0953281 -0.0802547 -0.3911206 10 Br -1.2197862 -0.8055075 0.0732970 -0.5578417 -1.1475301 -0.2815294 0.0953281 -0.0802547 -0.3911206----------------------------------------------------------------------------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: 240/240Permutation basis: 4368/4368Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1008Number of blocks in projector: 1008Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 236Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 164Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 164Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 148Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 148Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 148Use standard eigh solver.Tree of FC basis block matrices:- (1008, 985), data: False|-- (148, 144), data: True|-- (148, 144), data: True|-- (148, 144), data: True|-- (164, 162), data: True|-- (164, 162), data: True|-- (236, 229), data: True-----Solver_atoms: 1 -- 80 / 80Time (Solver_compr_matrix_reshape): 0.002Solver_block: 100 / 320 - Time: 0.777Solver_block: 200 / 320 - Time: 0.777Solver_block: 300 / 320 - Time: 0.778Solver_block: 320 / 320 - Time: 0.193Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.543--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (xz) 0.00000000 (xz) Permutation basis: 240/240Permutation basis: 4368/4368Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1008Number of blocks in projector: 1008Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 236Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 164Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 164Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 148Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 148Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 148Use standard eigh solver.Tree of FC basis block matrices:- (1008, 985), data: False|-- (148, 144), data: True|-- (148, 144), data: True|-- (148, 144), data: True|-- (164, 162), data: True|-- (164, 162), data: True|-- (236, 229), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (xz) 0.00000000 (xz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 18:42:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 18:42:17]-------------------------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): [2 1 2]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: C2/m (12)------------------------------ primitive cell ------------------------------Lattice vectors: a 3.291531075329872 -5.825863110000001 0.000000000000000 b 3.291531075329872 5.825863110000001 0.000000000000000 c -2.432356784862915 0.000000000000000 6.727534996875364Atomic positions (fractional): 1 Nb 0.87339810327858 0.12660189672142 0.00000000000000 92.906 2 Nb 0.12660189672142 0.87339810327858 0.00000000000000 92.906 3 Se 0.13217545664698 0.13217545664698 0.32348850034923 78.960 4 Se 0.34825227930194 0.34825227930194 0.12984130887960 78.960 5 Se 0.65174772069806 0.65174772069806 0.87015869112040 78.960 6 Se 0.86782454335302 0.86782454335302 0.67651149965077 78.960 7 Br 0.43636519425188 0.01928606187957 0.77347928934785 79.904 8 Br 0.56363480574812 0.98071393812043 0.22652071065215 79.904 9 Br 0.01928606187957 0.43636519425188 0.77347928934785 79.904 10 Br 0.98071393812043 0.56363480574813 0.22652071065215 79.904-------------------------------- supercell ---------------------------------Lattice vectors: a 13.166124301319487 0.000000000000000 0.000000000000000 b 0.000000000000000 11.651726220000002 0.000000000000000 c -4.864713569725830 0.000000000000000 13.455069993750728Atomic positions (fractional): 1 Nb 0.00000000000000 0.12660189672142 0.00000000000000 92.906 > 1 2 Nb 0.50000000000000 0.12660189672142 0.00000000000000 92.906 > 1 3 Nb 0.00000000000000 0.12660189672142 0.50000000000000 92.906 > 1 4 Nb 0.50000000000000 0.12660189672142 0.50000000000000 92.906 > 1 5 Nb 0.25000000000000 0.37339810327858 0.00000000000000 92.906 > 5 6 Nb 0.75000000000000 0.37339810327858 0.00000000000000 92.906 > 5 7 Nb 0.25000000000000 0.37339810327858 0.50000000000000 92.906 > 5 8 Nb 0.75000000000000 0.37339810327858 0.50000000000000 92.906 > 5 9 Nb 0.25000000000000 0.62660189672142 0.00000000000000 92.906 > 1 10 Nb 0.75000000000000 0.62660189672142 0.00000000000000 92.906 > 1 11 Nb 0.25000000000000 0.62660189672142 0.50000000000000 92.906 > 1 12 Nb 0.75000000000000 0.62660189672142 0.50000000000000 92.906 > 1 13 Nb 0.00000000000000 0.87339810327858 0.00000000000000 92.906 > 5 14 Nb 0.50000000000000 0.87339810327858 0.00000000000000 92.906 > 5 15 Nb 0.00000000000000 0.87339810327858 0.50000000000000 92.906 > 5 16 Nb 0.50000000000000 0.87339810327858 0.50000000000000 92.906 > 5 17 Se 0.06608772832349 0.00000000000000 0.16174425017462 78.960 > 17 18 Se 0.56608772832349 0.00000000000000 0.16174425017462 78.960 > 17 19 Se 0.06608772832349 0.00000000000000 0.66174425017462 78.960 > 17 20 Se 0.56608772832349 0.00000000000000 0.66174425017462 78.960 > 17 21 Se 0.17412613965097 0.00000000000000 0.06492065443980 78.960 > 21 22 Se 0.67412613965097 0.00000000000000 0.06492065443980 78.960 > 21 23 Se 0.17412613965097 0.00000000000000 0.56492065443980 78.960 > 21 24 Se 0.67412613965097 0.00000000000000 0.56492065443980 78.960 > 21 25 Se 0.32587386034903 0.00000000000000 0.43507934556020 78.960 > 25 26 Se 0.82587386034903 0.00000000000000 0.43507934556020 78.960 > 25 27 Se 0.32587386034903 0.00000000000000 0.93507934556020 78.960 > 25 28 Se 0.82587386034903 0.00000000000000 0.93507934556020 78.960 > 25 29 Se 0.43391227167651 0.00000000000000 0.33825574982538 78.960 > 29 30 Se 0.93391227167651 0.00000000000000 0.33825574982538 78.960 > 29 31 Se 0.43391227167651 0.00000000000000 0.83825574982538 78.960 > 29 32 Se 0.93391227167651 0.00000000000000 0.83825574982538 78.960 > 29 33 Se 0.31608772832349 0.50000000000000 0.16174425017462 78.960 > 17 34 Se 0.81608772832349 0.50000000000000 0.16174425017462 78.960 > 17 35 Se 0.31608772832349 0.50000000000000 0.66174425017462 78.960 > 17 36 Se 0.81608772832349 0.50000000000000 0.66174425017462 78.960 > 17 37 Se 0.42412613965097 0.50000000000000 0.06492065443980 78.960 > 21 38 Se 0.92412613965097 0.50000000000000 0.06492065443980 78.960 > 21 39 Se 0.42412613965097 0.50000000000000 0.56492065443980 78.960 > 21 40 Se 0.92412613965097 0.50000000000000 0.56492065443980 78.960 > 21 41 Se 0.07587386034903 0.50000000000000 0.43507934556020 78.960 > 25 42 Se 0.57587386034903 0.50000000000000 0.43507934556020 78.960 > 25 43 Se 0.07587386034903 0.50000000000000 0.93507934556020 78.960 > 25 44 Se 0.57587386034903 0.50000000000000 0.93507934556020 78.960 > 25 45 Se 0.18391227167651 0.50000000000000 0.33825574982538 78.960 > 29 46 Se 0.68391227167651 0.50000000000000 0.33825574982538 78.960 > 29 47 Se 0.18391227167651 0.50000000000000 0.83825574982538 78.960 > 29 48 Se 0.68391227167651 0.50000000000000 0.83825574982538 78.960 > 29 49 Br 0.36391281403286 0.29146043381385 0.38673964467393 79.904 > 49 50 Br 0.86391281403286 0.29146043381385 0.38673964467393 79.904 > 49 51 Br 0.36391281403286 0.29146043381385 0.88673964467393 79.904 > 49 52 Br 0.86391281403286 0.29146043381385 0.88673964467393 79.904 > 49 53 Br 0.38608718596714 0.20853956618615 0.11326035532607 79.904 > 53 54 Br 0.88608718596714 0.20853956618615 0.11326035532607 79.904 > 53 55 Br 0.38608718596714 0.20853956618615 0.61326035532607 79.904 > 53 56 Br 0.88608718596714 0.20853956618615 0.61326035532607 79.904 > 53 57 Br 0.11391281403286 0.20853956618615 0.38673964467393 79.904 > 57 58 Br 0.61391281403286 0.20853956618615 0.38673964467393 79.904 > 57 59 Br 0.11391281403286 0.20853956618615 0.88673964467393 79.904 > 57 60 Br 0.61391281403286 0.20853956618615 0.88673964467393 79.904 > 57 61 Br 0.13608718596714 0.29146043381385 0.11326035532607 79.904 > 61 62 Br 0.63608718596714 0.29146043381385 0.11326035532607 79.904 > 61 63 Br 0.13608718596714 0.29146043381385 0.61326035532607 79.904 > 61 64 Br 0.63608718596714 0.29146043381385 0.61326035532607 79.904 > 61 65 Br 0.11391281403286 0.79146043381385 0.38673964467393 79.904 > 49 66 Br 0.61391281403286 0.79146043381385 0.38673964467393 79.904 > 49 67 Br 0.11391281403286 0.79146043381385 0.88673964467393 79.904 > 49 68 Br 0.61391281403286 0.79146043381385 0.88673964467393 79.904 > 49 69 Br 0.13608718596714 0.70853956618615 0.11326035532607 79.904 > 53 70 Br 0.63608718596714 0.70853956618615 0.11326035532607 79.904 > 53 71 Br 0.13608718596714 0.70853956618615 0.61326035532607 79.904 > 53 72 Br 0.63608718596714 0.70853956618615 0.61326035532607 79.904 > 53 73 Br 0.36391281403286 0.70853956618615 0.38673964467393 79.904 > 57 74 Br 0.86391281403286 0.70853956618615 0.38673964467393 79.904 > 57 75 Br 0.36391281403286 0.70853956618615 0.88673964467393 79.904 > 57 76 Br 0.86391281403286 0.70853956618615 0.88673964467393 79.904 > 57 77 Br 0.38608718596714 0.79146043381385 0.11326035532607 79.904 > 61 78 Br 0.88608718596714 0.79146043381385 0.11326035532607 79.904 > 61 79 Br 0.38608718596714 0.79146043381385 0.61326035532607 79.904 > 61 80 Br 0.88608718596714 0.79146043381385 0.61326035532607 79.904 > 61----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 8.3834636 0.0000000 -0.3908550 0.0000000 8.1342576 0.0000000 -0.3908592 0.0000000 5.1925374-------------------------- Born effective charges -------------------------- 1 Nb 2.4629922 0.0000000 -0.0543918 0.0000000 1.7844317 0.0000000 0.0313403 0.0000000 0.6865569 2 Nb 2.4629922 0.0000000 -0.0543918 0.0000000 1.7844317 0.0000000 0.0313403 0.0000000 0.6865569 3 Se 0.0601014 0.0000000 -0.1344366 0.0000000 0.0980142 0.0000000 0.2575989 0.0000000 -0.0098366 4 Se -0.0835210 0.0000000 0.0422344 0.0000000 0.4126142 0.0000000 -0.4795954 0.0000000 0.1055209 5 Se -0.0835210 0.0000000 0.0422344 0.0000000 0.4126142 0.0000000 -0.4795954 0.0000000 0.1055209 6 Se 0.0601014 0.0000000 -0.1344366 0.0000000 0.0980142 0.0000000 0.2575989 0.0000000 -0.0098366 7 Br -1.2197862 0.8055075 0.0732970 0.5578417 -1.1475301 0.2815294 0.0953281 0.0802547 -0.3911206 8 Br -1.2197862 0.8055075 0.0732970 0.5578417 -1.1475301 0.2815294 0.0953281 0.0802547 -0.3911206 9 Br -1.2197862 -0.8055075 0.0732970 -0.5578417 -1.1475301 -0.2815294 0.0953281 -0.0802547 -0.3911206 10 Br -1.2197862 -0.8055075 0.0732970 -0.5578417 -1.1475301 -0.2815294 0.0953281 -0.0802547 -0.3911206----------------------------------------------------------------------------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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094]Computing fc3[ 17, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094]Computing fc3[ 21, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094]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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000002 (yyy) -0.00000002 (yyy) -0.00000002 (yyy)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000001 (zx) 0.00000001 (zx) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 18:42:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 18:42:26]-------------------------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: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 1 2]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: C2/m (12)------------------------------ primitive cell ------------------------------Lattice vectors: a 3.291531075329872 -5.825863110000001 0.000000000000000 b 3.291531075329872 5.825863110000001 0.000000000000000 c -2.432356784862915 0.000000000000000 6.727534996875364Atomic positions (fractional): 1 Nb 0.87339810327858 0.12660189672142 0.00000000000000 92.906 2 Nb 0.12660189672142 0.87339810327858 0.00000000000000 92.906 3 Se 0.13217545664698 0.13217545664698 0.32348850034923 78.960 4 Se 0.34825227930194 0.34825227930194 0.12984130887960 78.960 5 Se 0.65174772069806 0.65174772069806 0.87015869112040 78.960 6 Se 0.86782454335302 0.86782454335302 0.67651149965077 78.960 7 Br 0.43636519425188 0.01928606187957 0.77347928934785 79.904 8 Br 0.56363480574812 0.98071393812043 0.22652071065215 79.904 9 Br 0.01928606187957 0.43636519425188 0.77347928934785 79.904 10 Br 0.98071393812043 0.56363480574813 0.22652071065215 79.904-------------------------------- supercell ---------------------------------Lattice vectors: a 13.166124301319487 0.000000000000000 0.000000000000000 b 0.000000000000000 11.651726220000002 0.000000000000000 c -4.864713569725830 0.000000000000000 13.455069993750728Atomic positions (fractional): 1 Nb 0.00000000000000 0.12660189672142 0.00000000000000 92.906 > 1 2 Nb 0.50000000000000 0.12660189672142 0.00000000000000 92.906 > 1 3 Nb 0.00000000000000 0.12660189672142 0.50000000000000 92.906 > 1 4 Nb 0.50000000000000 0.12660189672142 0.50000000000000 92.906 > 1 5 Nb 0.25000000000000 0.37339810327858 0.00000000000000 92.906 > 5 6 Nb 0.75000000000000 0.37339810327858 0.00000000000000 92.906 > 5 7 Nb 0.25000000000000 0.37339810327858 0.50000000000000 92.906 > 5 8 Nb 0.75000000000000 0.37339810327858 0.50000000000000 92.906 > 5 9 Nb 0.25000000000000 0.62660189672142 0.00000000000000 92.906 > 1 10 Nb 0.75000000000000 0.62660189672142 0.00000000000000 92.906 > 1 11 Nb 0.25000000000000 0.62660189672142 0.50000000000000 92.906 > 1 12 Nb 0.75000000000000 0.62660189672142 0.50000000000000 92.906 > 1 13 Nb 0.00000000000000 0.87339810327858 0.00000000000000 92.906 > 5 14 Nb 0.50000000000000 0.87339810327858 0.00000000000000 92.906 > 5 15 Nb 0.00000000000000 0.87339810327858 0.50000000000000 92.906 > 5 16 Nb 0.50000000000000 0.87339810327858 0.50000000000000 92.906 > 5 17 Se 0.06608772832349 0.00000000000000 0.16174425017462 78.960 > 17 18 Se 0.56608772832349 0.00000000000000 0.16174425017462 78.960 > 17 19 Se 0.06608772832349 0.00000000000000 0.66174425017462 78.960 > 17 20 Se 0.56608772832349 0.00000000000000 0.66174425017462 78.960 > 17 21 Se 0.17412613965097 0.00000000000000 0.06492065443980 78.960 > 21 22 Se 0.67412613965097 0.00000000000000 0.06492065443980 78.960 > 21 23 Se 0.17412613965097 0.00000000000000 0.56492065443980 78.960 > 21 24 Se 0.67412613965097 0.00000000000000 0.56492065443980 78.960 > 21 25 Se 0.32587386034903 0.00000000000000 0.43507934556020 78.960 > 25 26 Se 0.82587386034903 0.00000000000000 0.43507934556020 78.960 > 25 27 Se 0.32587386034903 0.00000000000000 0.93507934556020 78.960 > 25 28 Se 0.82587386034903 0.00000000000000 0.93507934556020 78.960 > 25 29 Se 0.43391227167651 0.00000000000000 0.33825574982538 78.960 > 29 30 Se 0.93391227167651 0.00000000000000 0.33825574982538 78.960 > 29 31 Se 0.43391227167651 0.00000000000000 0.83825574982538 78.960 > 29 32 Se 0.93391227167651 0.00000000000000 0.83825574982538 78.960 > 29 33 Se 0.31608772832349 0.50000000000000 0.16174425017462 78.960 > 17 34 Se 0.81608772832349 0.50000000000000 0.16174425017462 78.960 > 17 35 Se 0.31608772832349 0.50000000000000 0.66174425017462 78.960 > 17 36 Se 0.81608772832349 0.50000000000000 0.66174425017462 78.960 > 17 37 Se 0.42412613965097 0.50000000000000 0.06492065443980 78.960 > 21 38 Se 0.92412613965097 0.50000000000000 0.06492065443980 78.960 > 21 39 Se 0.42412613965097 0.50000000000000 0.56492065443980 78.960 > 21 40 Se 0.92412613965097 0.50000000000000 0.56492065443980 78.960 > 21 41 Se 0.07587386034903 0.50000000000000 0.43507934556020 78.960 > 25 42 Se 0.57587386034903 0.50000000000000 0.43507934556020 78.960 > 25 43 Se 0.07587386034903 0.50000000000000 0.93507934556020 78.960 > 25 44 Se 0.57587386034903 0.50000000000000 0.93507934556020 78.960 > 25 45 Se 0.18391227167651 0.50000000000000 0.33825574982538 78.960 > 29 46 Se 0.68391227167651 0.50000000000000 0.33825574982538 78.960 > 29 47 Se 0.18391227167651 0.50000000000000 0.83825574982538 78.960 > 29 48 Se 0.68391227167651 0.50000000000000 0.83825574982538 78.960 > 29 49 Br 0.36391281403286 0.29146043381385 0.38673964467393 79.904 > 49 50 Br 0.86391281403286 0.29146043381385 0.38673964467393 79.904 > 49 51 Br 0.36391281403286 0.29146043381385 0.88673964467393 79.904 > 49 52 Br 0.86391281403286 0.29146043381385 0.88673964467393 79.904 > 49 53 Br 0.38608718596714 0.20853956618615 0.11326035532607 79.904 > 53 54 Br 0.88608718596714 0.20853956618615 0.11326035532607 79.904 > 53 55 Br 0.38608718596714 0.20853956618615 0.61326035532607 79.904 > 53 56 Br 0.88608718596714 0.20853956618615 0.61326035532607 79.904 > 53 57 Br 0.11391281403286 0.20853956618615 0.38673964467393 79.904 > 57 58 Br 0.61391281403286 0.20853956618615 0.38673964467393 79.904 > 57 59 Br 0.11391281403286 0.20853956618615 0.88673964467393 79.904 > 57 60 Br 0.61391281403286 0.20853956618615 0.88673964467393 79.904 > 57 61 Br 0.13608718596714 0.29146043381385 0.11326035532607 79.904 > 61 62 Br 0.63608718596714 0.29146043381385 0.11326035532607 79.904 > 61 63 Br 0.13608718596714 0.29146043381385 0.61326035532607 79.904 > 61 64 Br 0.63608718596714 0.29146043381385 0.61326035532607 79.904 > 61 65 Br 0.11391281403286 0.79146043381385 0.38673964467393 79.904 > 49 66 Br 0.61391281403286 0.79146043381385 0.38673964467393 79.904 > 49 67 Br 0.11391281403286 0.79146043381385 0.88673964467393 79.904 > 49 68 Br 0.61391281403286 0.79146043381385 0.88673964467393 79.904 > 49 69 Br 0.13608718596714 0.70853956618615 0.11326035532607 79.904 > 53 70 Br 0.63608718596714 0.70853956618615 0.11326035532607 79.904 > 53 71 Br 0.13608718596714 0.70853956618615 0.61326035532607 79.904 > 53 72 Br 0.63608718596714 0.70853956618615 0.61326035532607 79.904 > 53 73 Br 0.36391281403286 0.70853956618615 0.38673964467393 79.904 > 57 74 Br 0.86391281403286 0.70853956618615 0.38673964467393 79.904 > 57 75 Br 0.36391281403286 0.70853956618615 0.88673964467393 79.904 > 57 76 Br 0.86391281403286 0.70853956618615 0.88673964467393 79.904 > 57 77 Br 0.38608718596714 0.79146043381385 0.11326035532607 79.904 > 61 78 Br 0.88608718596714 0.79146043381385 0.11326035532607 79.904 > 61 79 Br 0.38608718596714 0.79146043381385 0.61326035532607 79.904 > 61 80 Br 0.88608718596714 0.79146043381385 0.61326035532607 79.904 > 61----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 8.3834636 0.0000000 -0.3908550 0.0000000 8.1342576 0.0000000 -0.3908592 0.0000000 5.1925374-------------------------- Born effective charges -------------------------- 1 Nb 2.4629922 0.0000000 -0.0543918 0.0000000 1.7844317 0.0000000 0.0313403 0.0000000 0.6865569 2 Nb 2.4629922 0.0000000 -0.0543918 0.0000000 1.7844317 0.0000000 0.0313403 0.0000000 0.6865569 3 Se 0.0601014 0.0000000 -0.1344366 0.0000000 0.0980142 0.0000000 0.2575989 0.0000000 -0.0098366 4 Se -0.0835210 0.0000000 0.0422344 0.0000000 0.4126142 0.0000000 -0.4795954 0.0000000 0.1055209 5 Se -0.0835210 0.0000000 0.0422344 0.0000000 0.4126142 0.0000000 -0.4795954 0.0000000 0.1055209 6 Se 0.0601014 0.0000000 -0.1344366 0.0000000 0.0980142 0.0000000 0.2575989 0.0000000 -0.0098366 7 Br -1.2197862 0.8055075 0.0732970 0.5578417 -1.1475301 0.2815294 0.0953281 0.0802547 -0.3911206 8 Br -1.2197862 0.8055075 0.0732970 0.5578417 -1.1475301 0.2815294 0.0953281 0.0802547 -0.3911206 9 Br -1.2197862 -0.8055075 0.0732970 -0.5578417 -1.1475301 -0.2815294 0.0953281 -0.0802547 -0.3911206 10 Br -1.2197862 -0.8055075 0.0732970 -0.5578417 -1.1475301 -0.2815294 0.0953281 -0.0802547 -0.3911206----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000002 (yyy) -0.00000002 (yyy) -0.00000002 (yyy)Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) --------------------------- 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 ... [ 9 9 7 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.65, Number of G-points: 307, Lambda: 0.18Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/160) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 160Calculating 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 1.670 ( 0.000 0.000 0.000) 0.000 2.032 ( 0.000 0.000 0.000) 0.000 2.320 ( 0.000 0.000 0.000) 0.000 2.720 ( 0.000 0.000 0.000) 0.000 2.917 ( 0.000 0.000 0.000) 0.000 2.965 ( 0.000 0.000 0.000) 0.000 3.221 ( 0.000 0.000 0.000) 0.000 3.252 ( 0.000 0.000 0.000) 0.000 3.611 ( 0.000 0.000 0.000) 0.000 3.946 ( 0.000 0.000 0.000) 0.000 4.117 ( 0.000 0.000 0.000) 0.000 4.252 ( 0.000 0.000 0.000) 0.000 4.507 ( 0.000 0.000 0.000) 0.000 4.530 ( 0.000 0.000 0.000) 0.000 4.532 ( 0.000 0.000 0.000) 0.000 4.676 ( 0.000 0.000 0.000) 0.000 5.017 ( 0.000 0.000 0.000) 0.000 5.259 ( 0.000 0.000 0.000) 0.000 5.269 ( 0.000 0.000 0.000) 0.000 7.292 ( 0.000 0.000 0.000) 0.000 7.414 ( 0.000 0.000 0.000) 0.000 7.490 ( 0.000 0.000 0.000) 0.000 7.894 ( 0.000 0.000 0.000) 0.000 8.118 ( 0.000 0.000 0.000) 0.000 8.247 ( 0.000 0.000 0.000) 0.000 9.959 ( 0.000 0.000 0.000) 0.000 10.222 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/160) =======================q-point: ( 0.11 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.208 ( 7.476 -7.044 6.494) 12.152 0.414 ( 20.617 -3.230 2.058) 20.969 0.765 ( 29.309 -26.258 0.236) 39.352 1.693 ( 1.865 -0.415 0.200) 1.921 2.024 ( 1.920 4.508 0.146) 4.902 2.372 ( 2.449 -5.554 0.218) 6.074 2.701 ( -1.231 2.079 0.047) 2.417 2.833 ( -8.758 1.284 0.640) 8.875 2.965 ( -0.710 5.502 -0.104) 5.548 3.117 ( -6.687 -3.669 -0.813) 7.671 3.374 ( 7.133 -0.218 0.187) 7.139 3.624 ( 0.795 -1.226 -0.909) 1.721 3.943 ( -0.089 0.105 -0.452) 0.472 4.100 ( -2.009 3.602 1.509) 4.392 4.215 ( -4.227 0.871 -0.045) 4.316 4.512 ( 0.059 0.302 0.014) 0.308 4.536 ( 1.106 0.080 -0.142) 1.118 4.623 ( 2.830 9.562 -1.687) 10.114 4.759 ( 3.638 -2.320 -2.404) 4.939 5.022 ( 1.371 1.417 -0.264) 1.990 5.255 ( -0.380 0.296 0.291) 0.563 5.298 ( -3.323 -5.539 -0.952) 6.529 7.296 ( -3.019 -2.931 -0.176) 4.212 7.433 ( 2.501 0.863 -0.254) 2.658 7.586 ( 1.531 2.135 -1.743) 3.153 7.883 ( -0.881 0.365 -0.527) 1.089 8.110 ( 0.093 1.791 0.062) 1.794 8.251 ( -1.263 -1.805 0.373) 2.235 9.972 ( 1.644 -0.212 -0.663) 1.785 10.226 ( -1.329 0.884 1.686) 2.321======================= Grid point 2 (3/160) =======================q-point: ( 0.22 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.472 ( 10.319 -9.612 4.177) 14.708 0.759 ( 15.844 -1.305 1.381) 15.957 1.472 ( 25.538 -22.923 0.434) 34.319 1.720 ( 0.978 0.914 0.311) 1.374 2.034 ( 5.035 4.995 0.197) 7.095 2.487 ( 2.694 -5.886 0.339) 6.483 2.624 ( -6.646 1.868 0.102) 6.904 2.661 ( -6.343 2.104 0.107) 6.683 2.861 ( -5.519 3.843 0.091) 6.726 3.076 ( -2.835 -4.317 -0.309) 5.174 3.470 ( 4.104 1.244 0.121) 4.291 3.650 ( 1.685 -1.625 -1.599) 2.835 3.938 ( 0.316 0.535 -0.648) 0.897 4.017 ( -3.962 5.039 1.006) 6.489 4.123 ( -4.438 1.320 -0.037) 4.630 4.492 ( -0.254 3.268 -0.441) 3.307 4.554 ( 0.860 1.236 0.886) 1.747 4.586 ( 1.661 3.797 -0.782) 4.218 4.821 ( 1.203 -3.848 -0.706) 4.093 5.030 ( 1.901 2.393 -0.441) 3.088 5.240 ( -1.664 -0.237 -0.084) 1.683 5.287 ( -2.029 -2.863 -0.252) 3.518 7.270 ( -2.272 -1.369 -0.129) 2.656 7.468 ( 2.996 1.722 -0.186) 3.460 7.589 ( 0.655 -0.638 -0.281) 0.957 7.855 ( -1.417 0.470 -0.767) 1.679 8.091 ( 0.111 2.525 0.143) 2.532 8.243 ( -2.430 -2.434 0.147) 3.442 10.007 ( 2.791 -0.194 -1.305) 3.087 10.198 ( -2.283 0.464 1.605) 2.830======================= Grid point 3 (4/160) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.771 ( 10.917 -9.490 2.028) 14.607 0.983 ( 9.200 -1.172 0.743) 9.304 1.666 ( -3.534 4.992 0.700) 6.156 2.057 ( 20.432 -7.502 0.042) 21.766 2.116 ( 7.684 -5.157 0.231) 9.257 2.392 ( -8.913 2.433 -0.137) 9.240 2.557 ( -5.285 1.994 -0.174) 5.651 2.677 ( 3.790 -8.739 0.515) 9.539 2.743 ( -4.838 0.494 0.201) 4.868 3.077 ( -1.129 -2.455 -0.180) 2.708 3.467 ( -1.410 4.902 -0.047) 5.101 3.697 ( 2.863 -2.157 -1.794) 4.008 3.898 ( -4.129 4.153 0.730) 5.902 3.935 ( 0.494 1.272 -0.343) 1.407 4.055 ( -2.879 0.626 0.174) 2.952 4.445 ( -0.156 4.426 -0.289) 4.438 4.551 ( 0.512 1.964 0.678) 2.141 4.591 ( 0.799 0.193 -0.200) 0.846 4.859 ( -0.328 -2.853 -0.223) 2.881 5.035 ( 2.128 2.884 -0.282) 3.595 5.202 ( -3.270 -1.301 -0.580) 3.567 5.285 ( -0.542 -1.186 0.193) 1.318 7.247 ( -1.460 -0.775 -0.078) 1.655 7.497 ( 2.204 1.328 0.072) 2.574 7.614 ( 0.997 -1.136 0.061) 1.513 7.823 ( -1.138 0.260 -0.677) 1.350 8.071 ( 0.337 2.284 0.141) 2.313 8.217 ( -2.978 -1.890 0.019) 3.527 10.050 ( 3.267 0.083 -1.844) 3.752 10.163 ( -2.814 0.030 1.899) 3.395======================= Grid point 4 (5/160) =======================q-point: ( 0.44 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.963 ( 3.587 -1.076 0.224) 3.751 1.177 ( 8.282 -8.605 0.673) 11.961 1.505 ( -6.810 8.539 0.158) 10.924 2.211 ( 6.084 1.841 -0.020) 6.356 2.268 ( -0.977 2.204 -0.130) 2.414 2.391 ( -0.521 -0.588 0.130) 0.797 2.492 ( 1.416 -8.352 0.004) 8.471 2.681 ( -1.645 0.611 0.062) 1.756 2.827 ( 3.030 -5.796 0.351) 6.549 3.078 ( -0.484 -0.914 -0.084) 1.038 3.357 ( -3.193 5.414 -0.227) 6.289 3.758 ( 2.894 -2.070 -1.512) 3.866 3.820 ( -2.793 1.907 1.226) 3.598 3.942 ( 2.229 0.790 -0.413) 2.401 3.998 ( -3.386 0.706 0.293) 3.471 4.415 ( 0.329 1.787 -0.103) 1.820 4.547 ( 0.176 0.650 0.197) 0.701 4.598 ( 0.148 0.017 0.036) 0.153 4.865 ( -0.665 -0.962 -0.071) 1.171 5.046 ( 1.571 1.568 0.014) 2.220 5.161 ( -2.062 -1.000 -0.368) 2.321 5.289 ( -0.079 -0.326 0.097) 0.349 7.235 ( -0.499 -0.269 -0.021) 0.567 7.517 ( 0.917 0.373 0.083) 0.993 7.634 ( 0.331 -0.375 0.063) 0.504 7.807 ( -0.297 0.005 -0.279) 0.408 8.063 ( 0.374 1.018 0.055) 1.086 8.188 ( -1.600 -0.763 -0.013) 1.773 10.091 ( 3.260 0.375 -2.157) 3.927 10.127 ( -3.079 -0.345 2.155) 3.774======================= Grid point 10 (6/160) =======================q-point: ( 0.11 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.368 ( 10.234 -0.000 6.092) 11.910 0.884 ( 24.990 -0.000 1.686) 25.047 1.124 ( 27.835 -0.000 0.187) 27.836 1.730 ( 2.068 -0.000 0.462) 2.119 2.106 ( 5.409 -0.000 0.142) 5.411 2.399 ( 3.682 -0.000 0.401) 3.703 2.651 ( -12.870 0.000 0.365) 12.875 2.679 ( -2.487 0.000 0.010) 2.487 2.931 ( -10.379 0.000 -0.477) 10.390 3.009 ( 1.171 -0.000 -0.028) 1.172 3.480 ( 4.927 -0.000 0.066) 4.928 3.634 ( 1.777 -0.000 -1.537) 2.350 3.941 ( 0.401 -0.000 -0.664) 0.776 4.078 ( -3.281 0.000 1.194) 3.491 4.129 ( -6.370 0.000 -0.077) 6.370 4.523 ( 0.330 -0.000 0.411) 0.527 4.554 ( 1.372 -0.000 -0.689) 1.536 4.637 ( -2.313 0.000 0.607) 2.391 4.790 ( 2.637 -0.000 -2.751) 3.811 5.064 ( 2.525 -0.000 -0.679) 2.615 5.221 ( -2.951 0.000 -0.615) 3.015 5.261 ( 0.019 -0.000 0.773) 0.774 7.253 ( -1.542 0.000 0.015) 1.542 7.490 ( 3.586 -0.000 -0.339) 3.602 7.579 ( -0.953 0.000 -0.378) 1.025 7.861 ( -1.464 0.000 -0.829) 1.683 8.123 ( 0.358 -0.000 0.019) 0.358 8.211 ( -2.487 0.000 0.242) 2.499 10.005 ( 2.902 -0.000 -1.229) 3.151 10.204 ( -2.638 0.000 1.680) 3.128======================= Grid point 11 (7/160) =======================q-point: ( 0.22 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.614 ( 11.990 -5.251 3.748) 13.616 1.176 ( 19.510 17.618 1.133) 26.312 1.633 ( 13.731 -18.488 1.071) 23.054 1.770 ( 5.734 -1.647 -0.048) 5.966 2.216 ( 10.474 5.747 0.076) 11.947 2.417 ( -12.132 0.366 -0.116) 12.138 2.495 ( 0.463 -6.796 0.119) 6.813 2.631 ( -1.479 2.201 0.093) 2.653 2.749 ( -8.949 -0.029 0.038) 8.949 3.040 ( 1.149 -1.142 -0.118) 1.624 3.524 ( 0.350 1.268 0.200) 1.330 3.667 ( 2.999 -0.848 -1.940) 3.671 3.946 ( 0.075 0.191 -0.209) 0.293 3.985 ( -5.068 4.219 0.319) 6.602 4.047 ( -3.885 -1.679 0.451) 4.257 4.510 ( -0.906 2.144 0.001) 2.327 4.574 ( 0.829 -0.133 0.020) 0.840 4.596 ( -1.820 0.586 0.190) 1.922 4.821 ( 1.836 -0.901 -1.176) 2.359 5.089 ( 2.086 2.559 -0.485) 3.337 5.165 ( -4.059 -2.222 -0.788) 4.694 5.271 ( 0.384 -0.320 0.630) 0.804 7.233 ( -1.064 -0.497 0.056) 1.176 7.532 ( 2.193 2.113 0.028) 3.046 7.582 ( 0.513 -2.054 0.264) 2.134 7.829 ( -1.500 0.229 -0.594) 1.629 8.118 ( 0.217 2.361 0.006) 2.371 8.177 ( -2.676 -2.171 0.026) 3.446 10.051 ( 3.460 0.018 -1.697) 3.854 10.165 ( -3.130 0.086 1.837) 3.630======================= Grid point 12 (8/160) =======================q-point: ( 0.33 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.898 ( 11.792 -7.050 1.791) 13.855 1.254 ( 10.223 17.209 0.841) 20.035 1.676 ( -2.369 7.769 0.777) 8.160 2.116 ( 5.204 -14.647 0.234) 15.546 2.240 ( -5.046 -5.306 -0.606) 7.347 2.343 ( 7.834 2.120 -0.002) 8.116 2.457 ( -4.365 1.275 -0.446) 4.570 2.667 ( -1.020 -2.504 0.463) 2.743 2.706 ( 5.363 -3.871 0.447) 6.629 3.060 ( 0.384 -0.583 -0.188) 0.723 3.465 ( -3.795 4.271 -0.117) 5.715 3.722 ( 3.245 -1.467 -1.701) 3.947 3.866 ( -3.881 2.917 0.875) 4.933 3.948 ( -0.812 -0.485 -0.044) 0.947 4.010 ( -1.745 0.511 0.225) 1.832 4.456 ( -2.536 2.150 -0.160) 3.329 4.561 ( -1.265 0.691 0.661) 1.586 4.591 ( 0.225 -0.560 -0.592) 0.845 4.851 ( 1.694 -0.386 -0.602) 1.839 5.060 ( -3.207 -0.052 -0.457) 3.240 5.149 ( 1.081 -0.160 -0.198) 1.111 5.285 ( 0.619 -0.106 0.258) 0.679 7.228 ( -0.209 -0.443 0.139) 0.509 7.538 ( 0.761 1.691 0.402) 1.898 7.615 ( 0.468 -1.595 0.323) 1.694 7.806 ( -0.686 -0.053 -0.144) 0.703 8.087 ( -1.547 1.366 -0.033) 2.064 8.170 ( 0.154 -1.048 -0.147) 1.069 10.097 ( 3.305 0.208 -1.941) 3.838 10.123 ( -3.171 -0.126 1.980) 3.741======================= Grid point 13 (9/160) =======================q-point: (-0.56 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.080 ( 4.248 5.563 0.369) 7.009 1.296 ( 8.203 4.780 0.981) 9.545 1.505 ( -3.949 11.363 -0.203) 12.032 2.141 ( -5.584 -6.340 -0.162) 8.450 2.179 ( -8.279 -4.230 -0.078) 9.298 2.423 ( 3.741 1.375 -0.075) 3.987 2.582 ( 8.965 -2.235 -0.117) 9.240 2.659 ( -1.136 -0.853 -0.060) 1.422 2.846 ( 4.454 -2.407 0.361) 5.075 3.068 ( 0.321 -0.995 0.038) 1.046 3.351 ( -2.827 4.155 -0.133) 5.027 3.781 ( 2.590 -1.342 -1.244) 3.171 3.800 ( -2.298 1.355 1.121) 2.894 3.924 ( -3.513 -1.357 0.396) 3.786 3.996 ( 1.787 0.928 -0.124) 2.017 4.396 ( -3.265 -0.288 -0.101) 3.279 4.538 ( -1.701 -0.391 0.292) 1.770 4.591 ( -0.335 -0.509 -0.707) 0.933 4.884 ( 2.942 0.981 -0.350) 3.121 5.008 ( -3.670 -2.195 -0.278) 4.285 5.179 ( 2.533 0.800 0.294) 2.672 5.297 ( 0.925 0.468 0.100) 1.041 7.236 ( 0.715 -0.177 0.183) 0.759 7.525 ( -1.025 1.200 0.266) 1.601 7.628 ( -0.422 -0.959 0.330) 1.099 7.805 ( 0.167 -0.230 0.389) 0.481 8.051 ( -1.778 -0.268 -0.136) 1.804 8.199 ( 2.777 0.343 -0.170) 2.803 10.084 ( -3.166 -0.323 2.229) 3.885 10.135 ( 2.965 0.380 -2.178) 3.699======================= Grid point 14 (10/160) =======================q-point: (-0.44 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.971 ( -6.009 11.785 -0.561) 13.241 1.202 ( -1.435 18.187 -0.163) 18.244 1.562 ( 7.563 -4.954 -0.271) 9.045 1.989 ( -12.087 -3.863 -0.158) 12.690 2.215 ( -2.078 -6.526 0.352) 6.858 2.428 ( -0.037 5.877 -0.258) 5.883 2.573 ( -0.999 4.246 -0.099) 4.363 2.724 ( 5.020 -0.709 -0.355) 5.082 2.838 ( -2.290 6.529 -0.364) 6.929 3.113 ( 3.005 0.237 0.412) 3.042 3.353 ( 1.890 -5.274 0.269) 5.609 3.741 ( -2.651 2.118 1.545) 3.729 3.841 ( 2.500 -1.986 -0.961) 3.334 3.896 ( -1.327 -2.493 0.242) 2.834 4.036 ( 2.093 -1.059 -0.012) 2.346 4.362 ( -2.452 -3.665 0.035) 4.409 4.515 ( -2.493 -1.964 0.103) 3.176 4.582 ( -0.793 -0.599 -0.861) 1.315 4.917 ( 2.603 2.857 -0.301) 3.877 4.982 ( -1.715 -2.564 0.198) 3.091 5.215 ( 1.866 0.233 0.138) 1.885 5.312 ( 1.825 1.384 0.354) 2.318 7.257 ( 1.581 0.142 0.191) 1.599 7.486 ( -2.706 0.221 0.141) 2.719 7.622 ( -1.234 -0.268 0.144) 1.271 7.820 ( 1.009 -0.132 0.814) 1.303 8.036 ( -0.715 -1.366 -0.251) 1.562 8.247 ( 3.615 1.185 -0.129) 3.807 10.048 ( -2.958 -0.150 2.029) 3.590 10.165 ( 2.461 0.184 -1.972) 3.159======================= Grid point 15 (11/160) =======================q-point: (-0.33 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.694 ( -9.856 13.182 -1.947) 16.574 0.998 ( -1.648 20.213 -0.817) 20.296 1.685 ( 2.668 -1.386 -0.585) 3.063 1.801 ( -13.658 4.757 0.124) 14.463 2.038 ( -10.205 9.343 0.019) 13.836 2.471 ( 4.583 -5.523 -0.036) 7.177 2.580 ( 0.826 -3.224 -0.193) 3.334 2.719 ( -1.058 7.976 -0.142) 8.047 2.819 ( 5.372 -0.931 -0.491) 5.474 3.149 ( 3.319 3.059 0.395) 4.531 3.420 ( -1.699 -4.315 0.034) 4.637 3.691 ( -1.594 2.413 1.550) 3.281 3.904 ( 1.125 -3.444 0.479) 3.655 3.928 ( 2.117 -3.566 -0.839) 4.231 4.083 ( 2.172 -2.319 0.075) 3.178 4.384 ( -1.558 -6.846 0.302) 7.028 4.494 ( -2.990 -3.414 0.009) 4.538 4.566 ( -0.975 -0.196 -0.757) 1.250 4.908 ( 1.012 4.146 -0.140) 4.270 4.992 ( -0.255 -1.148 0.407) 1.244 5.236 ( 0.634 -0.443 -0.268) 0.819 5.338 ( 2.767 2.161 0.743) 3.589 7.289 ( 2.464 0.444 0.219) 2.513 7.440 ( -3.047 -0.985 0.149) 3.205 7.595 ( -2.015 0.009 0.119) 2.019 7.849 ( 1.605 -0.079 0.850) 1.818 8.046 ( -0.003 -2.005 -0.284) 2.025 8.287 ( 2.876 2.040 -0.121) 3.528 10.011 ( -2.489 0.258 1.493) 2.914 10.191 ( 1.870 -0.264 -1.538) 2.435======================= Grid point 16 (12/160) =======================q-point: (-0.22 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.406 ( -7.122 12.708 -2.709) 14.817 0.749 ( -1.077 24.045 -1.441) 24.112 1.317 ( -18.663 29.118 0.164) 34.586 1.709 ( -0.290 1.331 -0.154) 1.371 1.926 ( -2.941 -4.227 -0.125) 5.151 2.500 ( -1.756 5.208 -0.235) 5.501 2.634 ( 1.196 -4.589 0.024) 4.742 2.749 ( 4.623 -5.678 -0.183) 7.324 2.905 ( 3.740 -0.780 -0.424) 3.843 3.185 ( 4.383 3.124 0.602) 5.416 3.373 ( -5.700 -0.652 -0.206) 5.741 3.660 ( -0.443 2.388 0.939) 2.604 3.934 ( 0.312 -1.047 0.317) 1.137 4.005 ( 1.412 -5.469 -0.724) 5.695 4.166 ( 3.376 -4.108 0.114) 5.319 4.415 ( -4.868 -9.012 0.712) 10.268 4.489 ( -0.905 -3.075 0.030) 3.206 4.544 ( -0.834 0.634 -0.472) 1.149 4.874 ( 0.890 6.934 0.040) 6.991 4.993 ( -0.943 -1.300 0.305) 1.634 5.246 ( 0.233 -0.649 -0.283) 0.746 5.369 ( 2.788 2.219 0.842) 3.661 7.336 ( 3.677 0.706 0.291) 3.756 7.408 ( -2.181 -1.482 0.178) 2.643 7.557 ( -3.177 -0.584 0.245) 3.239 7.880 ( 1.341 0.023 0.522) 1.440 8.066 ( 0.055 -2.313 -0.163) 2.319 8.300 ( 1.390 2.748 -0.149) 3.084 9.980 ( -1.504 0.534 0.754) 1.765 10.212 ( 0.932 -0.571 -1.024) 1.497======================= Grid point 17 (13/160) =======================q-point: (-0.11 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.210 ( 0.000 11.929 0.000) 11.929 0.517 ( 0.000 26.005 0.000) 26.005 0.762 ( 0.000 39.330 0.000) 39.330 1.686 ( 0.000 1.607 0.000) 1.607 1.955 ( -0.000 -5.904 -0.000) 5.904 2.415 ( 0.000 7.509 0.000) 7.509 2.683 ( -0.000 -3.586 -0.000) 3.586 2.859 ( -0.000 -7.050 -0.000) 7.050 2.943 ( -0.000 -0.365 -0.000) 0.365 3.242 ( 0.000 1.882 0.000) 1.882 3.273 ( 0.000 1.411 0.000) 1.411 3.640 ( 0.000 1.794 0.000) 1.794 3.944 ( -0.000 -0.281 -0.000) 0.281 4.064 ( -0.000 -4.894 -0.000) 4.894 4.247 ( -0.000 -4.137 -0.000) 4.137 4.421 ( -0.000 -7.311 -0.000) 7.311 4.512 ( -0.000 -2.042 -0.000) 2.042 4.524 ( 0.000 1.266 0.000) 1.266 4.802 ( 0.000 8.821 0.000) 8.821 5.000 ( -0.000 -1.604 -0.000) 1.604 5.253 ( -0.000 -0.565 -0.000) 0.565 5.392 ( 0.000 0.780 0.000) 0.780 7.398 ( -0.000 -1.522 -0.000) 1.522 7.402 ( -0.000 -0.795 -0.000) 0.795 7.501 ( 0.000 1.008 0.000) 1.008 7.895 ( 0.000 0.035 0.000) 0.035 8.088 ( -0.000 -2.356 -0.000) 2.356 8.282 ( 0.000 2.902 0.000) 2.902 9.964 ( 0.000 0.480 0.000) 0.480 10.219 ( -0.000 -0.312 -0.000) 0.312======================= Grid point 20 (14/160) =======================q-point: ( 0.22 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.819 ( 12.717 -0.000 2.532) 12.966 1.589 ( -0.384 0.000 1.137) 1.200 1.705 ( 21.836 -0.000 1.594) 21.894 1.859 ( 6.532 -0.000 -0.450) 6.548 2.183 ( -13.641 0.000 -0.838) 13.667 2.393 ( -9.111 0.000 -0.046) 9.111 2.449 ( 9.907 -0.000 -0.589) 9.925 2.638 ( -2.703 0.000 0.747) 2.804 2.677 ( 6.595 -0.000 0.281) 6.601 3.056 ( 0.892 -0.000 -0.253) 0.927 3.505 ( -3.246 0.000 -0.005) 3.246 3.707 ( 3.335 -0.000 -1.756) 3.769 3.920 ( -4.307 0.000 -0.014) 4.307 3.921 ( -3.641 0.000 0.885) 3.747 4.015 ( 0.610 -0.000 0.142) 0.626 4.480 ( -3.916 0.000 -0.065) 3.916 4.568 ( -1.994 0.000 0.935) 2.202 4.584 ( 0.725 -0.000 -0.962) 1.205 4.848 ( 2.631 -0.000 -0.903) 2.781 5.057 ( -5.559 0.000 -0.686) 5.601 5.149 ( 2.683 -0.000 -0.097) 2.685 5.284 ( 0.890 -0.000 0.318) 0.945 7.223 ( -0.063 0.000 0.211) 0.220 7.571 ( 0.313 -0.000 0.908) 0.960 7.582 ( 0.966 -0.000 0.022) 0.967 7.806 ( -0.939 0.000 -0.084) 0.943 8.104 ( -3.515 0.000 -0.055) 3.515 8.156 ( 2.076 -0.000 -0.207) 2.087 10.098 ( 3.212 -0.000 -1.729) 3.647 10.122 ( -3.112 0.000 1.784) 3.587======================= Grid point 21 (15/160) =======================q-point: ( 0.33 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.053 ( 10.769 -2.898 1.403) 11.240 1.514 ( 0.766 10.606 1.264) 10.708 1.804 ( 1.554 18.436 -0.219) 18.503 1.997 ( -4.244 -6.471 -0.466) 7.752 2.109 ( -5.234 -6.321 -0.158) 8.208 2.301 ( 4.864 -11.903 0.596) 12.872 2.542 ( 4.863 1.563 -0.640) 5.148 2.624 ( -1.835 -2.428 0.515) 3.086 2.843 ( 9.912 1.058 0.248) 9.972 3.063 ( 0.325 0.069 -0.160) 0.369 3.423 ( -4.691 2.152 -0.214) 5.166 3.754 ( 2.919 -0.822 -1.402) 3.341 3.836 ( -3.780 2.059 0.989) 4.417 3.888 ( -2.682 -2.181 0.295) 3.469 4.024 ( 0.659 1.259 0.127) 1.427 4.397 ( -5.209 0.164 -0.205) 5.215 4.530 ( -3.389 -0.357 0.511) 3.446 4.585 ( -0.027 -0.128 -1.072) 1.080 4.899 ( 4.083 0.456 -0.630) 4.157 4.973 ( -4.124 -1.117 -0.380) 4.289 5.189 ( 2.108 0.252 0.188) 2.131 5.304 ( 1.463 0.233 0.226) 1.499 7.232 ( 0.806 -0.165 0.289) 0.872 7.558 ( -1.198 2.043 0.476) 2.416 7.600 ( -0.427 -1.905 0.633) 2.052 7.801 ( 0.157 -0.137 0.434) 0.481 8.049 ( -2.580 0.025 -0.160) 2.585 8.202 ( 3.456 0.078 -0.312) 3.471 10.079 ( -3.139 -0.121 2.259) 3.869 10.140 ( 2.929 0.163 -2.178) 3.654======================= Grid point 22 (16/160) =======================q-point: (-0.56 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.158 ( -1.026 5.955 0.628) 6.076 1.504 ( 7.453 4.112 0.884) 8.558 1.600 ( -1.801 16.487 -1.018) 16.616 1.936 ( -11.405 -1.672 -0.194) 11.529 2.059 ( 1.141 -6.882 0.148) 6.978 2.480 ( 1.783 0.395 0.328) 1.855 2.616 ( -1.194 -1.586 -0.115) 1.989 2.684 ( 8.084 -5.333 -0.205) 9.687 2.926 ( 2.302 3.719 -0.210) 4.379 3.083 ( 2.696 -1.048 0.550) 2.944 3.329 ( -3.235 1.490 -0.078) 3.563 3.766 ( -3.883 0.371 1.192) 4.079 3.806 ( 2.701 -1.694 -1.174) 3.398 3.867 ( -1.588 -0.382 0.285) 1.658 4.028 ( 1.052 0.359 0.156) 1.123 4.314 ( -4.774 -1.480 -0.168) 5.001 4.472 ( -4.866 -2.301 0.073) 5.383 4.575 ( -0.367 -0.120 -1.125) 1.189 4.937 ( -1.759 -1.478 -0.029) 2.297 4.964 ( 4.826 1.418 -0.372) 5.043 5.216 ( 1.076 -0.032 -0.043) 1.077 5.333 ( 2.240 0.796 0.588) 2.449 7.254 ( 1.404 -0.254 0.254) 1.449 7.502 ( -3.567 1.221 0.401) 3.791 7.607 ( -0.956 -1.123 0.426) 1.535 7.817 ( 1.155 -0.120 0.839) 1.433 8.019 ( -1.009 -0.454 -0.280) 1.141 8.263 ( 4.079 0.529 -0.285) 4.123 10.045 ( -2.699 -0.118 2.154) 3.455 10.169 ( 2.220 0.204 -2.012) 3.004======================= Grid point 23 (17/160) =======================q-point: (-0.44 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.958 ( -8.092 14.081 -0.326) 16.244 1.398 ( -1.404 18.553 -0.622) 18.616 1.654 ( 6.940 -1.550 -0.273) 7.116 1.797 ( -6.027 -1.612 -0.092) 6.239 2.141 ( 0.258 -2.547 0.689) 2.651 2.462 ( -1.359 4.151 0.169) 4.371 2.545 ( -3.992 1.660 -0.595) 4.364 2.811 ( 5.073 -0.134 -0.372) 5.089 2.869 ( -1.391 6.896 -0.265) 7.040 3.177 ( 3.787 -1.075 0.631) 3.987 3.316 ( -0.552 -5.285 0.242) 5.319 3.720 ( -2.175 -0.269 1.263) 2.529 3.851 ( 0.771 -1.008 0.002) 1.269 3.866 ( 1.077 -2.668 -0.641) 2.948 4.051 ( 0.913 -1.035 0.132) 1.386 4.273 ( -3.262 -4.386 0.007) 5.466 4.420 ( -4.680 -4.241 -0.151) 6.318 4.564 ( -0.297 -0.066 -0.949) 0.996 4.933 ( -0.169 -0.789 0.144) 0.819 5.017 ( 3.689 2.874 -0.151) 4.679 5.227 ( 0.248 -0.408 -0.285) 0.556 5.369 ( 2.461 1.158 0.797) 2.834 7.287 ( 1.797 -0.544 0.167) 1.885 7.432 ( -3.841 0.056 0.355) 3.858 7.592 ( -1.825 -0.321 0.141) 1.858 7.849 ( 1.744 0.003 0.933) 1.978 8.017 ( 0.059 -0.964 -0.366) 1.033 8.318 ( 3.370 1.184 -0.194) 3.578 10.016 ( -2.116 0.184 1.697) 2.719 10.188 ( 1.546 -0.032 -1.565) 2.200======================= Grid point 24 (18/160) =======================q-point: (-0.33 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.679 ( -6.420 15.798 -0.873) 17.075 1.177 ( -2.358 18.879 -0.842) 19.045 1.719 ( 0.987 4.874 -0.045) 4.973 1.757 ( 1.910 3.392 -0.316) 3.906 1.978 ( -9.383 16.643 0.526) 19.112 2.452 ( 0.681 -7.002 -0.070) 7.036 2.545 ( 0.113 -4.661 -0.204) 4.667 2.769 ( -1.014 6.474 -0.025) 6.553 2.897 ( 4.143 -0.292 -0.388) 4.172 3.226 ( 2.765 0.814 0.419) 2.913 3.339 ( -3.090 -3.144 -0.009) 4.408 3.704 ( -0.278 1.525 0.901) 1.793 3.889 ( 0.862 -3.523 0.226) 3.634 3.914 ( 0.924 -3.866 -0.500) 4.006 4.087 ( 1.385 -3.171 0.075) 3.461 4.271 ( -3.445 -6.114 0.136) 7.019 4.407 ( -1.918 -5.324 -0.113) 5.660 4.554 ( -0.161 0.288 -0.549) 0.641 4.945 ( 0.861 -0.205 0.152) 0.898 5.022 ( 1.045 4.807 -0.023) 4.919 5.232 ( 0.035 -0.703 -0.242) 0.745 5.399 ( 1.780 1.130 0.598) 2.191 7.327 ( 1.834 -1.268 0.063) 2.231 7.385 ( -2.230 -0.884 0.309) 2.419 7.558 ( -2.097 0.431 0.015) 2.141 7.881 ( 1.380 0.074 0.594) 1.504 8.030 ( 0.207 -1.410 -0.250) 1.447 8.346 ( 1.758 1.998 -0.109) 2.663 9.991 ( -1.264 0.590 0.896) 1.658 10.203 ( 0.835 -0.351 -0.873) 1.258======================= Grid point 25 (19/160) =======================q-point: (-0.22 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.467 ( 0.000 15.142 0.000) 15.142 0.969 ( 0.000 20.661 0.000) 20.661 1.485 ( 0.000 35.643 0.000) 35.643 1.733 ( 0.000 3.896 0.000) 3.896 1.853 ( -0.000 -4.481 -0.000) 4.481 2.511 ( -0.000 -1.446 -0.000) 1.446 2.596 ( -0.000 -5.152 -0.000) 5.152 2.735 ( -0.000 -1.372 -0.000) 1.372 2.939 ( -0.000 -0.378 -0.000) 0.378 3.280 ( 0.000 1.693 0.000) 1.693 3.282 ( -0.000 -0.790 -0.000) 0.790 3.685 ( 0.000 2.575 0.000) 2.575 3.926 ( -0.000 -2.070 -0.000) 2.070 3.963 ( -0.000 -5.031 -0.000) 5.031 4.148 ( -0.000 -5.453 -0.000) 5.453 4.291 ( -0.000 -6.188 -0.000) 6.188 4.445 ( -0.000 -4.992 -0.000) 4.992 4.545 ( 0.000 0.828 0.000) 0.828 4.962 ( 0.000 7.608 0.000) 7.608 4.968 ( -0.000 -1.522 -0.000) 1.522 5.240 ( -0.000 -0.801 -0.000) 0.801 5.409 ( 0.000 0.884 0.000) 0.884 7.362 ( -0.000 -2.140 -0.000) 2.140 7.382 ( -0.000 -1.217 -0.000) 1.217 7.524 ( 0.000 1.318 0.000) 1.318 7.896 ( 0.000 0.049 0.000) 0.049 8.047 ( -0.000 -1.840 -0.000) 1.840 8.338 ( 0.000 2.653 0.000) 2.653 9.976 ( 0.000 0.736 0.000) 0.736 10.211 ( -0.000 -0.433 -0.000) 0.433======================= Grid point 30 (20/160) =======================q-point: (-0.67 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.200 ( 5.993 -0.000 1.129) 6.098 1.577 ( 2.384 -0.000 1.272) 2.702 1.748 ( -10.726 0.000 -1.482) 10.828 1.921 ( -11.761 0.000 -0.242) 11.763 2.052 ( 6.108 -0.000 -0.438) 6.124 2.434 ( 13.487 -0.000 1.412) 13.560 2.564 ( -1.736 0.000 1.022) 2.015 2.631 ( 5.336 -0.000 -1.167) 5.462 2.970 ( 3.145 -0.000 -0.327) 3.162 3.082 ( 1.915 -0.000 0.405) 1.958 3.348 ( -5.004 0.000 -0.195) 5.007 3.767 ( -5.287 0.000 0.899) 5.363 3.788 ( 2.559 -0.000 -1.118) 2.793 3.865 ( 0.073 -0.000 0.298) 0.306 4.037 ( 0.038 -0.000 0.329) 0.331 4.300 ( -5.598 0.000 -0.252) 5.604 4.446 ( -6.013 0.000 -0.138) 6.015 4.575 ( -0.314 0.000 -1.078) 1.123 4.920 ( -1.335 0.000 0.026) 1.335 4.979 ( 5.284 -0.000 -0.529) 5.310 5.215 ( 0.850 -0.000 -0.083) 0.854 5.341 ( 2.289 -0.000 0.647) 2.378 7.251 ( 1.297 -0.000 0.280) 1.327 7.518 ( -4.556 0.000 0.510) 4.585 7.592 ( -0.183 0.000 0.564) 0.593 7.816 ( 1.256 -0.000 0.820) 1.500 8.015 ( -1.125 0.000 -0.271) 1.158 8.268 ( 4.243 -0.000 -0.361) 4.259 10.044 ( -2.604 0.000 2.197) 3.407 10.171 ( 2.139 -0.000 -2.024) 2.944======================= Grid point 32 (21/160) =======================q-point: (-0.56 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.199 ( -2.791 9.265 0.795) 9.709 1.580 ( -6.815 -0.021 -1.230) 6.925 1.656 ( 5.492 2.153 0.676) 5.937 1.748 ( -7.944 -3.142 -0.229) 8.546 2.137 ( 6.975 3.343 -0.111) 7.735 2.474 ( -2.567 -0.559 0.471) 2.669 2.654 ( 4.398 6.500 -0.247) 7.852 2.776 ( 8.428 -4.908 0.098) 9.753 2.968 ( -0.339 3.043 -0.301) 3.076 3.112 ( 0.713 -2.883 0.826) 3.082 3.267 ( -4.307 -0.715 -0.046) 4.366 3.695 ( -3.995 -1.158 0.646) 4.210 3.826 ( 1.821 -1.119 -0.881) 2.312 3.868 ( 0.403 1.148 0.429) 1.291 4.040 ( 0.267 -0.151 0.300) 0.429 4.219 ( -4.310 -1.362 -0.119) 4.522 4.349 ( -5.933 -2.453 -0.521) 6.441 4.563 ( -0.290 -0.010 -0.880) 0.927 4.919 ( 0.410 -0.452 0.211) 0.646 5.058 ( 4.690 1.145 -0.355) 4.841 5.222 ( 0.077 -0.152 -0.266) 0.316 5.383 ( 2.238 0.366 0.825) 2.413 7.276 ( 1.278 -0.351 0.137) 1.332 7.436 ( -4.884 0.177 0.540) 4.917 7.586 ( -0.989 -0.199 0.231) 1.035 7.849 ( 1.826 -0.007 0.919) 2.044 8.007 ( 0.044 -0.235 -0.371) 0.441 8.333 ( 3.650 0.367 -0.278) 3.679 10.018 ( -1.861 0.062 1.821) 2.605 10.189 ( 1.337 0.022 -1.604) 2.088======================= Grid point 33 (22/160) =======================q-point: (-0.44 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.996 ( -4.440 16.773 0.064) 17.351 1.425 ( -6.023 6.772 -0.489) 9.076 1.704 ( -0.911 -7.022 -0.568) 7.104 1.764 ( 3.775 1.335 0.398) 4.024 2.229 ( 6.858 2.409 0.397) 7.280 2.466 ( -0.641 -3.064 0.132) 3.133 2.526 ( -4.694 18.199 -0.439) 18.800 2.865 ( 1.048 1.168 -0.070) 1.571 2.924 ( 1.086 4.699 -0.191) 4.827 3.203 ( 1.618 -4.554 0.434) 4.852 3.242 ( -1.463 -6.267 0.227) 6.440 3.676 ( -1.181 -3.738 0.494) 3.951 3.856 ( 0.409 -1.800 -0.150) 1.852 3.865 ( 0.716 1.130 -0.057) 1.339 4.052 ( 0.347 -0.929 0.117) 0.998 4.183 ( -2.703 -3.122 0.030) 4.130 4.303 ( -3.111 -4.974 -0.394) 5.880 4.556 ( -0.106 -0.070 -0.508) 0.523 4.935 ( 0.654 -0.421 0.169) 0.796 5.101 ( 2.584 2.954 -0.160) 3.929 5.221 ( -0.185 -0.432 -0.203) 0.512 5.415 ( 1.400 0.535 0.549) 1.596 7.302 ( 0.801 -1.127 -0.039) 1.383 7.372 ( -2.844 -0.499 0.423) 2.918 7.567 ( -1.063 0.472 0.044) 1.163 7.882 ( 1.368 0.025 0.617) 1.501 8.012 ( 0.258 -0.547 -0.297) 0.674 8.374 ( 2.021 0.951 -0.139) 2.238 10.001 ( -1.026 0.374 1.025) 1.497 10.198 ( 0.671 -0.161 -0.889) 1.125======================= Grid point 34 (23/160) =======================q-point: (-0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.784 ( 0.000 17.865 0.000) 17.865 1.281 ( 0.000 11.642 0.000) 11.642 1.765 ( -0.000 -6.032 -0.000) 6.032 1.773 ( 0.000 3.258 0.000) 3.258 2.165 ( 0.000 32.046 0.000) 32.046 2.374 ( -0.000 -7.969 -0.000) 7.969 2.501 ( -0.000 -4.492 -0.000) 4.492 2.820 ( 0.000 6.268 0.000) 6.268 2.929 ( -0.000 -0.180 -0.000) 0.180 3.243 ( -0.000 -3.104 -0.000) 3.104 3.283 ( -0.000 -2.438 -0.000) 2.438 3.706 ( -0.000 -2.037 -0.000) 2.037 3.870 ( -0.000 -1.791 -0.000) 1.791 3.885 ( -0.000 -3.125 -0.000) 3.125 4.071 ( -0.000 -2.277 -0.000) 2.277 4.191 ( -0.000 -4.153 -0.000) 4.153 4.332 ( -0.000 -6.279 -0.000) 6.279 4.554 ( 0.000 0.071 0.000) 0.071 4.947 ( -0.000 -0.675 -0.000) 0.675 5.083 ( 0.000 4.943 0.000) 4.943 5.224 ( -0.000 -0.726 -0.000) 0.726 5.423 ( 0.000 0.621 0.000) 0.621 7.322 ( -0.000 -1.875 -0.000) 1.875 7.359 ( -0.000 -1.068 -0.000) 1.068 7.548 ( 0.000 1.137 0.000) 1.137 7.896 ( 0.000 0.037 0.000) 0.037 8.020 ( -0.000 -0.924 -0.000) 0.924 8.379 ( 0.000 1.592 0.000) 1.592 9.990 ( 0.000 0.648 0.000) 0.648 10.204 ( -0.000 -0.334 -0.000) 0.334======================= Grid point 41 (24/160) =======================q-point: (-0.56 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.228 ( -1.667 0.000 0.677) 1.799 1.442 ( -5.752 0.000 -0.645) 5.788 1.599 ( -5.234 0.000 -0.308) 5.243 1.778 ( 5.182 -0.000 0.355) 5.194 2.248 ( 4.054 -0.000 -0.299) 4.065 2.433 ( -1.506 0.000 0.257) 1.527 2.808 ( 5.903 -0.000 -1.197) 6.023 2.889 ( 6.952 -0.000 0.810) 6.999 2.976 ( -0.462 0.000 -0.060) 0.466 3.047 ( -4.749 0.000 0.894) 4.833 3.190 ( -3.402 0.000 -0.008) 3.402 3.635 ( -2.359 0.000 0.246) 2.372 3.835 ( 0.461 -0.000 -0.337) 0.571 3.890 ( 0.816 -0.000 0.219) 0.845 4.043 ( 0.134 -0.000 0.219) 0.257 4.153 ( -2.519 0.000 -0.009) 2.519 4.248 ( -3.605 0.000 -0.578) 3.651 4.554 ( -0.167 0.000 -0.486) 0.513 4.931 ( 0.791 -0.000 0.161) 0.808 5.129 ( 2.971 -0.000 -0.195) 2.977 5.217 ( -0.288 0.000 -0.186) 0.343 5.420 ( 1.302 -0.000 0.549) 1.413 7.290 ( 0.518 -0.000 -0.051) 0.520 7.367 ( -3.170 0.000 0.457) 3.203 7.572 ( -0.680 0.000 0.073) 0.683 7.883 ( 1.376 -0.000 0.613) 1.506 8.007 ( 0.253 -0.000 -0.306) 0.397 8.383 ( 2.112 -0.000 -0.160) 2.118 10.004 ( -0.924 0.000 1.077) 1.419 10.197 ( 0.592 -0.000 -0.908) 1.084======================= Grid point 43 (25/160) =======================q-point: (-0.44 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.121 ( 0.000 15.623 0.000) 15.623 1.402 ( 0.000 0.399 0.000) 0.399 1.600 ( -0.000 -8.859 -0.000) 8.859 1.819 ( 0.000 1.378 0.000) 1.378 2.288 ( -0.000 -1.420 -0.000) 1.420 2.431 ( -0.000 -1.835 -0.000) 1.835 2.729 ( 0.000 25.859 0.000) 25.859 2.878 ( 0.000 0.168 0.000) 0.168 2.976 ( 0.000 3.905 0.000) 3.905 3.129 ( -0.000 -14.890 -0.000) 14.890 3.177 ( -0.000 -3.093 -0.000) 3.093 3.630 ( -0.000 -3.048 -0.000) 3.048 3.843 ( -0.000 -1.199 -0.000) 1.199 3.888 ( 0.000 1.803 0.000) 1.803 4.048 ( -0.000 -0.550 -0.000) 0.550 4.138 ( -0.000 -1.372 -0.000) 1.372 4.232 ( -0.000 -3.359 -0.000) 3.359 4.552 ( -0.000 -0.105 -0.000) 0.105 4.940 ( -0.000 -0.145 -0.000) 0.145 5.147 ( 0.000 1.703 0.000) 1.703 5.214 ( -0.000 -0.302 -0.000) 0.302 5.432 ( 0.000 0.222 0.000) 0.222 7.296 ( -0.000 -0.749 -0.000) 0.749 7.344 ( -0.000 -0.421 -0.000) 0.421 7.564 ( 0.000 0.457 0.000) 0.457 7.897 ( 0.000 0.013 0.000) 0.013 8.010 ( -0.000 -0.254 -0.000) 0.254 8.398 ( 0.000 0.500 0.000) 0.500 9.999 ( 0.000 0.256 0.000) 0.256 10.199 ( -0.000 -0.119 -0.000) 0.119======================= Grid point 85 (26/160) =======================q-point: ( 0.00 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.137 ( 0.396 -0.000 6.187) 6.200 0.172 ( 2.316 -0.000 7.554) 7.901 0.315 ( 0.229 -0.000 13.913) 13.915 1.655 ( 0.695 -0.000 -1.392) 1.556 2.044 ( -0.132 0.000 0.970) 0.979 2.325 ( 0.099 -0.000 0.447) 0.458 2.713 ( 0.406 -0.000 -0.618) 0.739 2.923 ( 1.104 -0.000 0.548) 1.232 2.970 ( 0.064 -0.000 0.459) 0.463 3.207 ( -4.494 0.000 -1.151) 4.639 3.258 ( 3.530 -0.000 0.417) 3.554 3.594 ( -0.499 0.000 -1.501) 1.582 3.941 ( 0.056 -0.000 -0.438) 0.442 4.145 ( 3.171 -0.000 -0.240) 3.180 4.251 ( -0.006 0.000 -0.117) 0.117 4.513 ( -1.665 0.000 -0.704) 1.808 4.515 ( 0.043 -0.000 0.696) 0.697 4.563 ( -5.041 0.000 1.017) 5.142 4.677 ( 0.407 -0.000 0.057) 0.411 5.012 ( -0.150 0.000 -0.479) 0.502 5.253 ( 0.761 -0.000 -0.525) 0.925 5.267 ( -0.338 0.000 -0.217) 0.401 7.291 ( 0.131 -0.000 -0.155) 0.202 7.416 ( -0.428 0.000 0.135) 0.449 7.500 ( -0.375 0.000 0.831) 0.912 7.886 ( -0.324 0.000 -0.731) 0.800 8.117 ( 0.059 -0.000 -0.042) 0.072 8.247 ( 0.693 -0.000 -0.461) 0.832 9.971 ( -1.132 0.000 1.040) 1.537 10.239 ( 2.509 -0.000 -0.352) 2.534======================= Grid point 86 (27/160) =======================q-point: ( 0.11 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.419 ( 3.098 -2.704 10.538) 11.312 0.472 ( 18.312 -2.653 3.144) 18.768 0.786 ( 28.277 -25.235 1.571) 37.932 1.682 ( 2.719 -0.339 -1.168) 2.978 2.036 ( 1.604 4.571 0.859) 4.920 2.381 ( 2.467 -5.673 0.617) 6.217 2.696 ( -0.987 2.123 -0.495) 2.393 2.845 ( -9.106 1.578 0.440) 9.253 2.961 ( -0.523 4.308 -0.015) 4.340 3.101 ( -6.063 -3.756 -0.535) 7.153 3.373 ( 6.899 -0.247 -0.275) 6.908 3.593 ( 0.723 -1.026 -1.868) 2.251 3.936 ( -0.338 0.152 -0.299) 0.476 4.122 ( -1.937 3.658 0.345) 4.154 4.210 ( -3.912 1.246 -0.316) 4.118 4.508 ( 0.787 2.372 -0.493) 2.547 4.539 ( 0.960 -1.352 0.407) 1.708 4.572 ( 5.443 6.930 -1.515) 8.942 4.726 ( 0.838 -7.457 -0.440) 7.517 5.012 ( 1.302 1.437 -0.621) 2.036 5.251 ( -0.438 0.104 -0.587) 0.740 5.276 ( -1.005 -3.103 -0.766) 3.351 7.288 ( -1.841 -1.804 -0.446) 2.616 7.431 ( 2.299 0.748 0.079) 2.419 7.546 ( 2.907 -0.150 -0.854) 3.033 7.867 ( -1.083 0.263 -0.904) 1.435 8.110 ( 0.142 1.754 -0.053) 1.760 8.251 ( -1.079 -1.889 -0.409) 2.213 9.971 ( 0.462 -0.108 0.491) 0.683 10.246 ( -0.465 0.813 0.179) 0.954======================= Grid point 87 (28/160) =======================q-point: ( 0.22 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.592 ( 6.686 -6.201 6.151) 11.000 0.790 ( 14.953 -0.651 1.373) 15.030 1.486 ( 25.659 -22.792 0.735) 34.328 1.712 ( 1.430 1.332 -1.004) 2.197 2.043 ( 4.739 5.050 0.565) 6.949 2.500 ( 2.482 -5.894 0.771) 6.441 2.619 ( -6.341 1.749 -0.562) 6.601 2.660 ( -6.914 2.204 -0.229) 7.260 2.866 ( -5.636 3.327 0.309) 6.552 3.071 ( -2.494 -4.229 -0.120) 4.911 3.468 ( 4.366 1.323 -0.274) 4.571 3.611 ( 1.570 -1.543 -1.858) 2.881 3.929 ( 0.207 0.754 -0.220) 0.812 4.035 ( -4.083 4.754 0.577) 6.293 4.120 ( -3.980 1.464 -0.212) 4.246 4.483 ( 0.193 4.089 -0.386) 4.112 4.565 ( 2.200 4.343 -0.993) 4.969 4.573 ( 0.916 -0.575 0.819) 1.357 4.806 ( 0.907 -5.855 -0.553) 5.951 5.019 ( 2.069 2.362 -0.510) 3.181 5.228 ( -2.241 -0.866 -0.824) 2.540 5.279 ( -0.713 -1.726 -0.561) 1.950 7.266 ( -1.904 -1.101 -0.216) 2.210 7.469 ( 3.048 1.571 0.256) 3.439 7.582 ( 1.560 -0.967 -0.238) 1.850 7.838 ( -1.224 0.512 -0.716) 1.507 8.090 ( 0.088 2.469 -0.174) 2.476 8.240 ( -2.400 -2.539 -0.373) 3.513 9.991 ( 1.665 0.026 -0.166) 1.674 10.224 ( -1.532 0.442 0.760) 1.766======================= Grid point 88 (29/160) =======================q-point: ( 0.33 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.821 ( 8.638 -6.800 2.235) 11.218 1.001 ( 9.174 -1.101 0.906) 9.284 1.663 ( -3.007 5.688 -0.946) 6.503 2.059 ( 20.137 -7.027 0.143) 21.329 2.123 ( 7.600 -5.418 0.325) 9.339 2.389 ( -9.324 1.945 -0.221) 9.528 2.551 ( -5.228 1.670 -0.353) 5.500 2.687 ( 4.058 -8.431 0.342) 9.363 2.748 ( -5.200 0.314 0.224) 5.214 3.076 ( -1.012 -2.401 0.076) 2.607 3.460 ( -1.438 5.305 -0.555) 5.524 3.662 ( 3.146 -2.348 -1.274) 4.128 3.905 ( -2.010 3.630 -0.055) 4.150 3.939 ( -1.490 1.436 0.641) 2.167 4.057 ( -2.501 0.782 -0.009) 2.620 4.438 ( 0.061 4.475 -0.308) 4.486 4.551 ( 0.886 2.519 -0.549) 2.727 4.596 ( 0.263 -0.761 0.522) 0.959 4.854 ( -0.517 -3.734 -0.234) 3.777 5.031 ( 2.556 2.747 -0.067) 3.753 5.186 ( -3.180 -1.489 -0.717) 3.584 5.280 ( -0.182 -0.864 -0.671) 1.109 7.246 ( -1.246 -0.606 -0.037) 1.387 7.502 ( 2.316 1.448 0.401) 2.761 7.617 ( 1.293 -0.995 0.235) 1.649 7.813 ( -0.652 0.417 -0.242) 0.811 8.068 ( 0.256 2.257 -0.479) 2.322 8.214 ( -2.941 -2.080 -0.304) 3.615 10.020 ( 2.318 0.340 -0.912) 2.514 10.198 ( -2.088 -0.090 1.339) 2.481======================= Grid point 89 (30/160) =======================q-point: ( 0.44 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.967 ( 3.223 -0.211 0.195) 3.236 1.196 ( 7.981 -7.855 0.990) 11.242 1.489 ( -6.844 9.480 -1.478) 11.785 2.211 ( 6.002 1.696 0.094) 6.238 2.261 ( -0.944 1.884 -0.431) 2.150 2.393 ( -0.895 -0.364 0.029) 0.966 2.492 ( 1.619 -8.722 -0.034) 8.871 2.681 ( -1.858 0.689 -0.102) 1.984 2.831 ( 2.757 -5.209 -0.030) 5.894 3.081 ( -0.380 -0.889 0.280) 1.006 3.350 ( -2.800 5.121 -0.392) 5.849 3.732 ( 3.076 -2.237 -0.811) 3.889 3.843 ( -2.419 1.583 0.797) 2.999 3.936 ( 1.986 1.084 -0.114) 2.266 4.004 ( -3.075 0.651 0.255) 3.153 4.411 ( 0.495 1.629 -0.239) 1.720 4.541 ( 0.308 0.991 -0.565) 1.182 4.602 ( -0.416 -0.507 0.247) 0.701 4.863 ( -0.763 -1.458 -0.086) 1.648 5.050 ( 1.353 1.147 0.286) 1.797 5.153 ( -1.239 -0.867 -0.367) 1.556 5.280 ( 0.103 -0.221 -0.805) 0.841 7.236 ( -0.361 -0.090 0.049) 0.375 7.522 ( 0.850 0.718 0.363) 1.171 7.638 ( 0.342 0.010 0.288) 0.447 7.808 ( 0.269 0.119 0.369) 0.472 8.054 ( 0.402 0.958 -0.834) 1.332 8.186 ( -1.557 -0.968 -0.147) 1.839 10.050 ( 2.650 0.481 -1.609) 3.137 10.172 ( -2.581 -0.388 1.963) 3.266======================= Grid point 90 (31/160) =======================q-point: (-0.44 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.960 ( -4.092 1.672 -0.034) 4.421 1.171 ( -8.732 10.054 0.090) 13.317 1.483 ( 7.052 -8.441 -1.666) 11.125 2.212 ( -6.793 -2.097 0.065) 7.109 2.266 ( 2.253 -1.998 -0.234) 3.021 2.389 ( -0.249 0.402 -0.071) 0.478 2.492 ( -1.300 7.943 -0.032) 8.048 2.679 ( 1.637 -0.581 -0.172) 1.746 2.818 ( -3.053 6.271 -0.498) 6.993 3.084 ( 0.471 0.898 0.373) 1.081 3.358 ( 3.328 -5.427 -0.088) 6.366 3.788 ( -2.468 1.843 0.664) 3.151 3.799 ( 2.681 -2.099 -0.198) 3.411 3.948 ( -1.540 -0.707 0.037) 1.695 3.995 ( 2.979 -0.657 0.097) 3.052 4.415 ( -0.181 -2.001 -0.148) 2.014 4.535 ( -0.056 -0.126 -0.634) 0.649 4.600 ( -0.560 -0.656 0.086) 0.866 4.866 ( 0.564 0.515 0.031) 0.764 5.049 ( -1.773 -1.893 0.268) 2.607 5.165 ( 2.519 0.884 -0.132) 2.673 5.278 ( 0.473 0.677 -0.762) 1.124 7.236 ( 0.605 0.423 0.075) 0.742 7.518 ( -0.974 0.022 0.219) 0.998 7.636 ( -0.362 0.658 0.228) 0.785 7.818 ( 0.644 0.158 0.700) 0.965 8.052 ( -0.121 -1.162 -0.899) 1.474 8.187 ( 1.511 0.635 -0.110) 1.643 10.082 ( 2.826 0.175 -2.025) 3.481 10.140 ( -3.112 -0.173 2.377) 3.920======================= Grid point 91 (32/160) =======================q-point: (-0.33 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.749 ( -11.933 10.397 0.095) 15.827 0.973 ( -9.607 1.648 -0.195) 9.749 1.637 ( 3.880 -4.641 -1.834) 6.321 2.057 ( -20.353 7.235 0.076) 21.601 2.114 ( -7.626 5.397 0.043) 9.342 2.394 ( 8.977 -2.480 0.016) 9.313 2.557 ( 4.960 -2.395 -0.184) 5.511 2.667 ( -3.506 9.136 -0.348) 9.792 2.741 ( 4.784 -0.793 0.015) 4.849 3.082 ( 1.107 2.571 0.291) 2.814 3.462 ( 1.305 -4.591 -0.455) 4.794 3.728 ( -2.836 1.904 0.875) 3.526 3.884 ( 4.371 -3.993 -0.397) 5.934 3.946 ( -0.537 -1.669 0.501) 1.824 4.051 ( 2.995 -0.383 -0.205) 3.026 4.448 ( 0.360 -4.786 -0.058) 4.800 4.534 ( -0.358 -1.094 -0.633) 1.314 4.596 ( -0.912 -1.019 0.123) 1.373 4.862 ( 0.263 2.358 0.060) 2.374 5.041 ( -2.037 -3.027 0.249) 3.657 5.202 ( 2.582 0.496 -0.626) 2.703 5.277 ( 1.640 2.179 -0.398) 2.756 7.249 ( 1.536 0.888 0.064) 1.776 7.498 ( -2.020 -1.166 0.183) 2.339 7.615 ( -1.083 1.288 0.125) 1.688 7.838 ( 1.237 -0.126 0.574) 1.370 8.062 ( -0.115 -2.511 -0.652) 2.597 8.214 ( 2.915 1.954 -0.270) 3.520 10.092 ( -3.184 -0.151 1.496) 3.521 10.124 ( 2.518 0.110 -1.141) 2.767======================= Grid point 92 (33/160) =======================q-point: (-0.22 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.453 ( -10.897 10.131 2.653) 15.113 0.739 ( -16.635 1.249 -0.383) 16.686 1.471 ( -24.841 22.591 0.354) 33.579 1.700 ( -0.779 -0.515 -1.529) 1.792 2.036 ( -5.010 -5.134 0.312) 7.180 2.487 ( -2.977 6.263 0.345) 6.943 2.616 ( 7.525 -1.763 -0.626) 7.755 2.655 ( 5.722 -1.837 -0.468) 6.027 2.863 ( 5.161 -4.474 0.209) 6.833 3.083 ( 3.208 4.506 0.243) 5.536 3.463 ( -3.917 -1.331 -0.522) 4.170 3.671 ( -2.192 1.620 0.204) 2.733 3.953 ( -0.570 -0.791 0.590) 1.139 3.999 ( 3.740 -4.577 -0.569) 5.938 4.121 ( 4.726 -1.344 -0.182) 4.917 4.500 ( 0.438 -3.127 0.293) 3.171 4.539 ( -0.585 -2.498 -0.454) 2.605 4.592 ( -1.410 -2.781 -0.255) 3.128 4.828 ( -1.030 3.228 -0.150) 3.392 5.035 ( -2.082 -2.568 0.052) 3.307 5.227 ( 1.172 -0.321 -1.174) 1.689 5.289 ( 3.004 3.636 -0.136) 4.718 7.270 ( 2.251 1.473 -0.075) 2.691 7.474 ( -2.933 -1.942 0.331) 3.534 7.586 ( -0.561 0.946 -0.525) 1.218 7.866 ( 1.260 -0.480 0.212) 1.365 8.085 ( 0.052 -2.760 -0.365) 2.785 8.236 ( 2.457 2.669 -0.442) 3.655 10.042 ( -3.551 0.252 1.800) 3.989 10.163 ( 2.643 -0.289 -1.452) 3.029======================= Grid point 93 (34/160) =======================q-point: (-0.11 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.275 ( -4.712 5.054 10.129) 12.261 0.399 ( -21.039 1.570 0.831) 21.114 0.778 ( -28.535 26.502 1.402) 38.968 1.674 ( -1.192 0.415 -1.466) 1.935 2.030 ( -2.037 -4.655 0.712) 5.131 2.373 ( -2.365 5.728 0.339) 6.206 2.694 ( 1.356 -2.025 -0.626) 2.516 2.821 ( 9.157 -1.056 -0.377) 9.225 2.961 ( 0.296 -4.848 -0.244) 4.863 3.130 ( 6.942 3.365 0.408) 7.725 3.366 ( -7.325 0.168 -0.511) 7.345 3.626 ( -1.442 1.147 -0.784) 2.003 3.950 ( -0.680 -0.379 -0.068) 0.782 4.081 ( 2.277 -2.794 -0.078) 3.606 4.213 ( 3.932 -1.106 -0.208) 4.090 4.516 ( -0.094 0.000 0.417) 0.427 4.540 ( -1.288 -0.558 0.071) 1.405 4.614 ( -2.245 -8.561 -1.788) 9.029 4.760 ( -3.172 3.656 -1.660) 5.117 5.022 ( -1.652 -1.627 -0.228) 2.330 5.241 ( 0.949 -0.311 -0.955) 1.382 5.293 ( 2.114 4.825 -0.940) 5.351 7.291 ( 2.411 2.536 -0.507) 3.535 7.440 ( -2.784 -1.012 0.345) 2.982 7.562 ( -2.199 -0.606 -2.375) 3.293 7.886 ( 0.534 -0.360 -0.303) 0.712 8.108 ( 0.013 -1.953 -0.136) 1.957 8.242 ( 1.460 2.166 -0.435) 2.648 9.996 ( -2.640 0.208 1.462) 3.025 10.197 ( 1.994 -0.189 -0.707) 2.125======================= Grid point 95 (35/160) =======================q-point: ( 0.11 0.11 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.530 ( 5.338 -0.000 7.855) 9.497 0.927 ( 24.263 -0.000 2.070) 24.352 1.132 ( 27.117 -0.000 0.520) 27.122 1.726 ( 2.803 -0.000 -0.844) 2.927 2.116 ( 5.011 -0.000 0.693) 5.059 2.410 ( 3.660 -0.000 0.528) 3.698 2.651 ( -13.511 0.000 -0.371) 13.516 2.675 ( -2.377 0.000 -0.445) 2.418 2.928 ( -10.017 0.000 0.163) 10.018 3.007 ( 1.406 -0.000 -0.132) 1.412 3.478 ( 5.310 -0.000 -0.218) 5.314 3.597 ( 1.516 -0.000 -1.783) 2.340 3.934 ( 0.359 -0.000 -0.082) 0.368 4.096 ( -3.114 0.000 0.374) 3.136 4.126 ( -6.377 0.000 -0.201) 6.380 4.535 ( 0.121 -0.000 0.638) 0.649 4.541 ( 1.186 -0.000 -0.475) 1.278 4.647 ( -2.049 0.000 0.341) 2.077 4.723 ( 5.494 -0.000 -2.766) 6.151 5.049 ( 2.519 -0.000 -0.629) 2.596 5.208 ( -3.140 0.000 -0.519) 3.182 5.265 ( 0.354 -0.000 -0.391) 0.527 7.253 ( -1.445 0.000 -0.012) 1.445 7.488 ( 3.577 -0.000 0.180) 3.582 7.568 ( 0.749 -0.000 -0.358) 0.830 7.844 ( -1.211 0.000 -0.707) 1.403 8.123 ( 0.317 -0.000 -0.084) 0.328 8.208 ( -2.402 0.000 -0.567) 2.468 9.991 ( 1.764 -0.000 -0.046) 1.764 10.230 ( -1.882 0.000 0.668) 1.997======================= Grid point 96 (36/160) =======================q-point: ( 0.22 0.11 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.705 ( 8.818 -3.880 4.184) 10.504 1.201 ( 19.005 18.286 1.041) 26.394 1.655 ( 15.428 -20.313 0.922) 25.524 1.757 ( 4.622 -0.071 -1.154) 4.765 2.220 ( 9.893 5.775 0.295) 11.459 2.408 ( -13.315 0.175 -0.655) 13.332 2.496 ( 0.559 -6.373 0.044) 6.397 2.629 ( -0.798 1.559 -0.299) 1.776 2.755 ( -8.702 0.135 0.451) 8.715 3.039 ( 1.113 -1.174 0.001) 1.618 3.523 ( 0.265 1.456 -0.249) 1.501 3.630 ( 3.272 -0.930 -1.364) 3.665 3.946 ( 0.860 0.324 0.204) 0.941 3.990 ( -5.830 3.575 0.037) 6.839 4.054 ( -3.420 -1.198 0.127) 3.625 4.511 ( -0.988 2.861 0.052) 3.027 4.568 ( 0.342 -1.556 -0.356) 1.632 4.603 ( -1.349 1.859 0.252) 2.310 4.793 ( 2.641 -2.085 -1.221) 3.579 5.081 ( 2.406 2.277 -0.243) 3.322 5.149 ( -3.969 -2.027 -0.552) 4.490 5.270 ( 0.497 -0.224 -0.685) 0.875 7.235 ( -0.900 -0.392 0.087) 0.985 7.537 ( 2.559 1.943 0.458) 3.245 7.588 ( 1.003 -1.811 0.300) 2.092 7.820 ( -0.988 0.251 -0.180) 1.035 8.114 ( 0.041 2.429 -0.355) 2.455 8.171 ( -2.531 -2.310 -0.546) 3.470 10.025 ( 2.443 0.127 -0.732) 2.553 10.198 ( -2.423 0.020 1.234) 2.720======================= Grid point 97 (37/160) =======================q-point: ( 0.33 0.11 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.937 ( 10.270 -5.551 1.539) 11.775 1.271 ( 10.260 17.221 0.697) 20.058 1.676 ( -2.365 8.576 -0.720) 8.925 2.121 ( 4.650 -14.522 0.222) 15.250 2.222 ( -4.498 -6.010 -0.941) 7.566 2.343 ( 7.748 1.989 -0.018) 7.999 2.451 ( -4.496 0.961 -0.162) 4.600 2.676 ( -1.956 -1.314 0.300) 2.375 2.712 ( 6.251 -4.596 0.048) 7.759 3.061 ( 0.353 -0.730 0.209) 0.837 3.459 ( -3.756 4.417 -0.499) 5.820 3.694 ( 3.382 -1.485 -0.710) 3.761 3.880 ( -3.464 2.369 0.365) 4.212 3.948 ( -0.587 -0.094 0.097) 0.603 4.016 ( -1.784 0.501 0.229) 1.867 4.453 ( -2.557 2.293 -0.193) 3.440 4.560 ( -0.765 0.846 -0.487) 1.240 4.588 ( -0.657 -0.807 0.097) 1.045 4.839 ( 1.850 -0.982 -0.511) 2.155 5.054 ( -3.521 -0.527 -0.105) 3.562 5.145 ( 1.889 0.048 -0.188) 1.899 5.279 ( 0.905 -0.007 -0.761) 1.183 7.231 ( -0.079 -0.319 0.151) 0.362 7.548 ( 0.866 1.928 0.569) 2.189 7.625 ( 0.608 -1.377 0.547) 1.602 7.809 ( -0.168 -0.006 0.364) 0.401 8.077 ( -1.565 1.311 -0.843) 2.209 8.165 ( 0.214 -1.130 -0.261) 1.179 10.058 ( 2.568 0.330 -1.563) 3.025 10.166 ( -2.613 -0.217 1.959) 3.273======================= Grid point 98 (38/160) =======================q-point: (-0.56 0.11 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.089 ( 4.011 6.645 0.433) 7.774 1.315 ( 8.229 4.235 0.579) 9.273 1.485 ( -4.613 12.545 -1.482) 13.448 2.141 ( -5.465 -6.506 0.175) 8.498 2.171 ( -7.958 -4.577 -0.625) 9.202 2.420 ( 3.633 1.497 -0.143) 3.932 2.580 ( 9.020 -2.219 -0.053) 9.289 2.656 ( -1.459 -0.655 -0.225) 1.615 2.848 ( 4.108 -1.924 -0.124) 4.538 3.074 ( 0.606 -1.131 0.476) 1.369 3.347 ( -2.479 3.888 -0.218) 4.616 3.761 ( 3.031 -1.838 -0.488) 3.578 3.821 ( -2.487 1.460 0.711) 2.970 3.927 ( -3.077 -1.559 -0.172) 3.453 3.999 ( 1.535 1.322 0.369) 2.059 4.392 ( -3.215 -0.421 -0.262) 3.253 4.537 ( -1.232 0.126 -0.259) 1.265 4.580 ( -1.179 -1.191 -0.341) 1.710 4.877 ( 2.911 0.608 -0.245) 2.984 5.006 ( -3.534 -2.376 0.118) 4.260 5.179 ( 2.389 0.549 -0.432) 2.489 5.293 ( 1.699 0.797 -0.332) 1.906 7.240 ( 0.773 -0.070 0.135) 0.788 7.534 ( -1.092 1.550 0.525) 1.968 7.637 ( -0.473 -0.579 0.429) 0.862 7.817 ( 0.505 -0.241 0.719) 0.911 8.038 ( -1.579 -0.319 -0.992) 1.892 8.195 ( 2.750 0.209 -0.159) 2.763 10.085 ( 2.141 0.125 -2.123) 3.017 10.138 ( -2.440 -0.054 2.467) 3.471======================= Grid point 99 (39/160) =======================q-point: (-0.44 0.11 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.965 ( -6.572 12.856 0.026) 14.439 1.202 ( -2.143 18.554 0.131) 18.678 1.538 ( 7.979 -4.800 -1.791) 9.482 1.985 ( -12.073 -4.015 -0.196) 12.724 2.224 ( -1.617 -6.802 0.497) 7.009 2.420 ( -0.025 6.419 -0.375) 6.430 2.569 ( -1.045 3.750 -0.258) 3.901 2.719 ( 4.800 -0.609 -0.099) 4.839 2.832 ( -2.162 6.650 -0.165) 6.994 3.122 ( 3.047 0.604 0.373) 3.128 3.354 ( 1.943 -5.171 -0.162) 5.526 3.766 ( -2.610 1.733 0.531) 3.178 3.826 ( 2.853 -2.159 -0.200) 3.583 3.901 ( -1.480 -2.653 0.160) 3.042 4.037 ( 2.136 -0.763 0.075) 2.270 4.359 ( -2.357 -3.855 -0.300) 4.529 4.513 ( -2.134 -1.471 -0.143) 2.596 4.570 ( -1.240 -1.321 -0.247) 1.828 4.912 ( 2.521 2.551 -0.084) 3.587 4.986 ( -1.590 -2.673 0.137) 3.113 5.205 ( 1.461 -0.063 -1.018) 1.782 5.317 ( 2.674 1.828 0.176) 3.244 7.260 ( 1.603 0.180 0.081) 1.615 7.492 ( -2.722 0.551 0.416) 2.808 7.627 ( -1.346 -0.015 0.258) 1.371 7.836 ( 1.042 -0.099 0.612) 1.212 8.023 ( -0.475 -1.512 -0.870) 1.807 8.244 ( 3.613 1.162 -0.140) 3.798 10.087 ( -2.047 -0.306 0.759) 2.205 10.129 ( 1.437 0.369 -0.435) 1.547======================= Grid point 100 (40/160) =======================q-point: (-0.33 0.11 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.683 ( -9.993 13.818 0.983) 17.081 0.984 ( -2.431 20.523 -0.452) 20.672 1.659 ( 3.151 -1.148 -1.729) 3.773 1.804 ( -13.107 4.149 0.104) 13.748 2.043 ( -10.290 10.038 0.397) 14.381 2.475 ( 4.737 -5.818 0.402) 7.513 2.572 ( 0.685 -3.013 -0.496) 3.129 2.718 ( -0.768 8.057 0.047) 8.093 2.813 ( 5.152 -1.010 -0.069) 5.250 3.156 ( 3.425 3.084 0.284) 4.618 3.414 ( -1.707 -4.053 -0.560) 4.433 3.710 ( -1.913 2.184 0.053) 2.904 3.906 ( 2.553 -4.101 -0.084) 4.831 3.925 ( 0.631 -2.930 0.357) 3.018 4.081 ( 2.223 -2.222 -0.190) 3.149 4.384 ( -1.220 -7.068 -0.311) 7.180 4.492 ( -2.741 -3.101 -0.080) 4.140 4.560 ( -1.116 -0.694 0.197) 1.329 4.908 ( 1.028 4.018 0.082) 4.148 4.995 ( -0.383 -1.385 -0.167) 1.446 5.219 ( 0.863 -0.443 -1.172) 1.521 5.347 ( 2.927 2.337 0.050) 3.746 7.291 ( 2.444 0.459 -0.039) 2.487 7.446 ( -3.069 -0.847 0.316) 3.199 7.597 ( -2.074 0.178 0.002) 2.081 7.861 ( 1.368 -0.076 0.140) 1.377 8.036 ( 0.264 -2.177 -0.556) 2.262 8.284 ( 2.917 2.167 -0.188) 3.639 10.048 ( -3.139 0.324 1.697) 3.583 10.158 ( 2.341 -0.242 -1.361) 2.719======================= Grid point 101 (41/160) =======================q-point: (-0.22 0.11 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.432 ( -6.104 11.360 4.791) 13.757 0.729 ( -0.850 24.341 -0.245) 24.357 1.328 ( -18.276 28.740 0.840) 34.069 1.690 ( 0.313 1.289 -1.530) 2.025 1.930 ( -2.935 -4.213 0.515) 5.160 2.504 ( -1.822 5.266 0.584) 5.603 2.629 ( 1.298 -4.378 -0.423) 4.586 2.747 ( 4.930 -5.303 0.053) 7.241 2.900 ( 3.807 -0.850 0.009) 3.900 3.195 ( 4.465 2.944 0.239) 5.354 3.364 ( -5.738 -0.698 -0.622) 5.814 3.661 ( -1.056 2.379 -0.837) 2.734 3.937 ( -0.188 -1.221 -0.167) 1.247 4.000 ( 1.875 -4.843 0.309) 5.203 4.161 ( 3.147 -4.121 -0.459) 5.205 4.421 ( -4.132 -9.031 -0.104) 9.932 4.488 ( -0.907 -3.189 -0.140) 3.318 4.547 ( -0.752 0.594 0.656) 1.161 4.874 ( 0.782 6.691 0.016) 6.736 4.991 ( -1.076 -1.351 -0.477) 1.792 5.232 ( 0.826 -0.598 -0.943) 1.389 5.366 ( 2.190 2.575 -0.969) 3.516 7.332 ( 3.295 0.989 -0.654) 3.502 7.412 ( -2.415 -1.565 0.219) 2.886 7.554 ( -2.935 -0.076 -0.376) 2.960 7.881 ( 0.915 -0.086 -0.434) 1.017 8.061 ( 0.318 -2.402 -0.247) 2.436 8.296 ( 1.565 2.957 -0.212) 3.352 10.004 ( -2.536 0.543 1.369) 2.933 10.191 ( 1.924 -0.449 -0.829) 2.143======================= Grid point 102 (42/160) =======================q-point: (-0.11 0.11 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.354 ( 0.749 5.794 10.150) 11.711 0.533 ( 3.552 25.143 1.510) 25.437 0.782 ( -2.036 37.754 1.685) 37.846 1.670 ( 0.685 1.572 -1.416) 2.225 1.965 ( -0.076 -6.041 0.805) 6.094 2.422 ( 0.011 7.651 0.651) 7.678 2.677 ( 0.283 -3.537 -0.593) 3.598 2.866 ( 0.340 -7.123 0.613) 7.157 2.948 ( 0.578 -0.276 0.441) 0.778 3.228 ( -3.204 1.922 -1.121) 3.901 3.278 ( 2.557 1.306 0.322) 2.890 3.619 ( -0.466 2.085 -1.760) 2.768 3.939 ( -0.005 -0.294 -0.444) 0.533 4.077 ( 1.076 -5.338 0.745) 5.496 4.229 ( 0.351 -3.378 -1.064) 3.559 4.430 ( -2.071 -7.223 0.652) 7.542 4.510 ( -0.145 -2.392 -0.179) 2.403 4.535 ( 0.244 1.485 0.888) 1.747 4.803 ( -0.254 8.618 0.040) 8.622 4.991 ( -0.082 -1.654 -0.708) 1.801 5.245 ( 0.621 -0.560 -0.656) 1.063 5.345 ( -0.304 3.758 -2.557) 4.555 7.350 ( 0.175 2.415 -2.745) 3.660 7.402 ( -0.277 -1.362 0.328) 1.428 7.508 ( -0.186 0.808 0.619) 1.035 7.884 ( -0.285 -0.129 -0.881) 0.934 8.088 ( 0.176 -2.359 -0.070) 2.367 8.281 ( 0.347 2.893 -0.196) 2.920 9.974 ( -1.153 0.373 0.942) 1.535 10.223 ( 1.523 -0.903 0.069) 1.772======================= Grid point 105 (43/160) =======================q-point: ( 0.22 0.22 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.872 ( 10.830 -0.000 2.110) 11.033 1.610 ( 0.100 -0.000 0.729) 0.736 1.735 ( 21.643 -0.000 1.023) 21.667 1.840 ( 6.679 -0.000 -1.261) 6.797 2.160 ( -13.985 0.000 -1.156) 14.033 2.392 ( -9.127 0.000 -0.056) 9.127 2.440 ( 8.768 -0.000 -0.201) 8.770 2.655 ( -2.535 0.000 0.783) 2.653 2.677 ( 7.258 -0.000 -0.275) 7.263 3.054 ( 0.855 -0.000 0.138) 0.866 3.500 ( -3.341 0.000 -0.482) 3.376 3.680 ( 3.536 -0.000 -0.626) 3.591 3.918 ( -4.071 0.000 -0.126) 4.073 3.935 ( -3.136 0.000 0.387) 3.160 4.021 ( 0.465 -0.000 0.294) 0.550 4.479 ( -4.242 0.000 -0.074) 4.243 4.566 ( 0.446 -0.000 -0.587) 0.737 4.581 ( -2.095 0.000 0.213) 2.105 4.829 ( 3.167 -0.000 -0.803) 3.267 5.045 ( -5.414 0.000 -0.291) 5.422 5.147 ( 2.986 -0.000 -0.139) 2.989 5.279 ( 1.220 -0.000 -0.718) 1.416 7.227 ( 0.053 -0.000 0.190) 0.197 7.587 ( 0.593 -0.000 0.511) 0.783 7.592 ( 1.069 -0.000 0.796) 1.333 7.809 ( -0.441 0.000 0.340) 0.557 8.093 ( -3.378 0.000 -0.895) 3.495 8.151 ( 1.967 -0.000 -0.241) 1.982 10.062 ( 2.545 -0.000 -1.544) 2.977 10.164 ( -2.644 0.000 1.950) 3.285======================= Grid point 106 (44/160) =======================q-point: ( 0.33 0.22 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.079 ( 10.131 -2.462 0.834) 10.459 1.531 ( 0.692 11.037 0.282) 11.062 1.791 ( 0.340 17.914 -0.832) 17.936 1.988 ( -3.830 -7.079 -0.329) 8.055 2.099 ( -5.191 -5.880 -0.633) 7.869 2.312 ( 5.864 -11.225 0.337) 12.669 2.529 ( 4.967 0.738 -0.482) 5.044 2.634 ( -2.269 -1.543 0.334) 2.765 2.844 ( 9.687 0.884 -0.112) 9.728 3.066 ( 0.588 0.015 0.472) 0.754 3.416 ( -4.528 2.105 -0.354) 5.005 3.734 ( 2.890 -0.724 -0.333) 2.998 3.849 ( -3.393 1.655 0.224) 3.782 3.890 ( -2.671 -2.062 -0.091) 3.376 4.032 ( 0.721 1.431 0.600) 1.710 4.392 ( -5.296 0.150 -0.263) 5.305 4.533 ( -3.667 -0.398 -0.171) 3.692 4.566 ( -0.301 -0.196 -0.549) 0.656 4.886 ( 4.218 0.282 -0.450) 4.251 4.969 ( -3.838 -1.180 0.008) 4.015 5.185 ( 1.880 0.153 -0.628) 1.988 5.305 ( 2.309 0.351 -0.075) 2.336 7.237 ( 0.830 -0.124 0.156) 0.853 7.572 ( -1.247 2.194 0.761) 2.635 7.614 ( -0.468 -1.746 0.616) 1.910 7.813 ( 0.469 -0.175 0.597) 0.779 8.036 ( -2.387 0.029 -0.991) 2.585 8.197 ( 3.428 0.017 -0.193) 3.434 10.087 ( 1.555 0.038 -2.106) 2.618 10.137 ( -1.858 0.007 2.434) 3.062======================= Grid point 107 (45/160) =======================q-point: (-0.56 0.22 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.173 ( -1.289 6.763 0.735) 6.924 1.501 ( 6.867 2.971 -1.247) 7.585 1.583 ( -1.559 17.852 -0.351) 17.924 1.930 ( -11.628 -1.854 -0.434) 11.783 2.061 ( 1.844 -7.411 0.029) 7.637 2.483 ( 2.284 0.829 -0.088) 2.431 2.610 ( -2.166 -0.655 -0.417) 2.301 2.682 ( 8.399 -5.671 -0.064) 10.134 2.922 ( 2.107 3.711 -0.095) 4.268 3.098 ( 3.034 -1.076 0.680) 3.290 3.328 ( -3.008 1.303 -0.059) 3.278 3.777 ( -3.336 -0.613 -0.412) 3.417 3.792 ( 1.955 -1.362 0.096) 2.385 3.872 ( -1.179 -0.222 0.276) 1.231 4.035 ( 0.952 0.774 0.511) 1.329 4.309 ( -4.660 -1.546 -0.273) 4.917 4.469 ( -5.190 -2.718 -0.318) 5.867 4.558 ( -0.319 -0.044 -0.309) 0.447 4.937 ( -1.353 -1.189 0.133) 1.806 4.957 ( 4.588 0.894 -0.334) 4.687 5.203 ( 0.997 -0.100 -1.089) 1.480 5.344 ( 2.798 0.962 0.413) 2.988 7.258 ( 1.357 -0.244 0.048) 1.380 7.515 ( -3.633 1.529 0.719) 4.007 7.616 ( -1.203 -0.956 0.382) 1.584 7.833 ( 1.218 -0.208 0.509) 1.336 8.005 ( -0.763 -0.470 -0.968) 1.319 8.259 ( 4.104 0.480 -0.059) 4.132 10.082 ( -1.453 -0.214 0.354) 1.511 10.136 ( 0.914 0.300 -0.096) 0.967======================= Grid point 108 (46/160) =======================q-point: (-0.44 0.22 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.962 ( -8.295 14.875 0.632) 17.043 1.387 ( -1.801 18.631 -0.315) 18.721 1.632 ( 7.401 -1.054 -1.642) 7.654 1.792 ( -5.803 -1.934 -0.320) 6.125 2.156 ( 0.546 -2.939 0.591) 3.047 2.462 ( -1.425 5.237 -0.096) 5.428 2.533 ( -3.851 0.501 -0.551) 3.923 2.809 ( 5.123 0.203 0.174) 5.130 2.868 ( -1.336 6.903 0.164) 7.033 3.186 ( 3.595 -0.804 0.225) 3.691 3.316 ( -0.548 -5.059 -0.201) 5.092 3.729 ( -2.321 -1.129 -0.529) 2.635 3.845 ( 1.744 -1.770 -0.197) 2.493 3.870 ( 0.287 -1.630 0.806) 1.841 4.053 ( 0.749 -0.701 0.120) 1.032 4.272 ( -2.901 -4.385 -0.144) 5.260 4.415 ( -4.929 -4.684 -0.274) 6.805 4.555 ( -0.102 -0.044 0.185) 0.216 4.935 ( -0.174 -0.741 0.044) 0.763 5.012 ( 3.702 2.591 -0.350) 4.532 5.211 ( 0.596 -0.360 -1.111) 1.311 5.381 ( 2.436 1.281 0.256) 2.764 7.288 ( 1.729 -0.597 -0.046) 1.830 7.442 ( -3.957 0.331 0.511) 4.003 7.596 ( -2.015 -0.210 0.219) 2.038 7.860 ( 1.528 -0.044 0.019) 1.529 8.005 ( 0.391 -1.045 -0.690) 1.312 8.316 ( 3.410 1.236 0.024) 3.627 10.053 ( -2.549 0.206 1.516) 2.973 10.155 ( 1.876 -0.065 -1.317) 2.293======================= Grid point 109 (47/160) =======================q-point: (-0.33 0.22 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.691 ( -6.155 15.465 1.879) 16.750 1.165 ( -1.857 19.400 -0.146) 19.489 1.704 ( 2.411 3.117 -1.374) 4.173 1.750 ( 1.074 4.731 -0.232) 4.857 1.989 ( -9.512 16.770 0.424) 19.285 2.456 ( 0.646 -7.473 0.488) 7.517 2.538 ( 0.381 -4.615 -0.406) 4.648 2.773 ( -1.065 6.590 0.349) 6.684 2.895 ( 4.360 -0.021 0.214) 4.366 3.232 ( 2.726 0.652 0.150) 2.807 3.331 ( -3.176 -2.903 -0.691) 4.358 3.703 ( -0.703 1.174 -1.050) 1.725 3.889 ( 0.640 -3.552 -0.212) 3.615 3.919 ( 1.130 -3.470 0.914) 3.762 4.084 ( 1.309 -2.982 -0.321) 3.273 4.276 ( -3.138 -6.150 0.283) 6.910 4.402 ( -1.972 -5.589 -0.337) 5.936 4.557 ( 0.065 0.268 0.739) 0.789 4.944 ( 0.696 -0.242 -0.226) 0.771 5.017 ( 1.161 4.698 -0.367) 4.853 5.219 ( 0.584 -0.654 -0.905) 1.260 5.401 ( 1.398 1.336 -0.369) 1.968 7.327 ( 1.847 -1.197 -0.155) 2.206 7.390 ( -2.595 -0.748 0.147) 2.704 7.559 ( -2.122 0.527 0.137) 2.191 7.881 ( 1.007 0.019 -0.650) 1.199 8.024 ( 0.581 -1.472 -0.283) 1.607 8.345 ( 1.843 2.143 0.036) 2.826 10.015 ( -2.334 0.610 1.254) 2.719 10.182 ( 1.790 -0.454 -1.022) 2.110======================= Grid point 110 (48/160) =======================q-point: (-0.22 0.22 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.524 ( 0.292 12.084 4.816) 13.011 0.977 ( 1.491 20.488 0.792) 20.558 1.488 ( -0.625 35.109 0.248) 35.116 1.716 ( 0.823 3.711 -1.540) 4.102 1.861 ( -0.275 -4.546 0.597) 4.593 2.518 ( -0.046 -1.730 0.677) 1.858 2.594 ( 0.165 -4.782 -0.210) 4.789 2.739 ( -0.038 -1.496 0.277) 1.521 2.946 ( 0.477 -0.288 0.593) 0.813 3.265 ( -3.359 1.384 -1.057) 3.783 3.286 ( 3.109 -0.552 0.135) 3.160 3.666 ( -0.460 2.562 -1.668) 3.092 3.920 ( -0.028 -2.084 -0.462) 2.135 3.975 ( 0.218 -4.773 1.046) 4.891 4.139 ( 0.108 -5.151 -0.731) 5.204 4.299 ( -0.585 -6.264 0.678) 6.328 4.440 ( 0.170 -5.010 -0.374) 5.027 4.559 ( 0.180 0.844 1.118) 1.412 4.959 ( 1.385 0.405 -0.595) 1.561 4.960 ( -1.345 5.703 -0.281) 5.866 5.232 ( 0.567 -0.805 -0.668) 1.189 5.392 ( -0.361 1.654 -1.285) 2.125 7.364 ( 0.435 -0.449 -1.350) 1.488 7.368 ( -0.703 -1.987 0.464) 2.159 7.528 ( -0.045 1.209 0.354) 1.261 7.882 ( -0.265 -0.057 -1.147) 1.179 8.046 ( 0.273 -1.804 -0.034) 1.825 8.338 ( 0.135 2.778 0.007) 2.781 9.984 ( -1.234 0.602 0.726) 1.553 10.209 ( 1.182 -0.663 -0.259) 1.380======================= Grid point 111 (49/160) =======================q-point: (-0.11 0.22 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.519 ( 5.076 8.002 6.873) 11.706 0.782 ( 0.941 22.972 1.477) 23.039 1.321 ( 18.716 28.471 0.529) 34.076 1.696 ( 1.022 1.207 -1.304) 2.050 1.935 ( 2.713 -4.432 0.663) 5.238 2.512 ( 1.644 5.222 0.851) 5.541 2.628 ( -0.934 -4.323 -0.461) 4.447 2.754 ( -4.965 -6.045 0.264) 7.827 2.916 ( -3.877 -0.512 0.602) 3.956 3.172 ( -3.946 3.257 -0.535) 5.145 3.372 ( 5.591 -0.784 -0.341) 5.656 3.627 ( 0.259 2.387 -1.995) 3.122 3.926 ( -0.514 -1.137 -0.426) 1.319 4.025 ( -1.250 -5.481 0.950) 5.701 4.157 ( -2.928 -4.150 -0.664) 5.122 4.400 ( 3.727 -7.358 -0.469) 8.261 4.487 ( 1.177 -3.296 -0.123) 3.502 4.563 ( 0.661 1.046 1.101) 1.656 4.873 ( -0.880 7.264 -0.026) 7.318 4.980 ( 1.047 -1.361 -0.804) 1.896 5.242 ( 0.151 -0.657 -0.574) 0.886 5.340 ( -2.021 2.804 -1.448) 3.748 7.321 ( -2.684 1.059 -0.956) 3.040 7.408 ( 2.092 -1.517 0.231) 2.594 7.551 ( 2.733 0.348 -0.125) 2.758 7.861 ( -1.283 -0.224 -1.098) 1.704 8.068 ( 0.050 -2.220 -0.035) 2.221 8.300 ( -1.331 2.831 -0.137) 3.131 9.974 ( 0.305 0.286 0.271) 0.498 10.228 ( -0.012 -0.839 0.374) 0.918======================= Grid point 115 (50/160) =======================q-point: (-0.67 0.33 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.221 ( 6.157 -0.000 0.646) 6.191 1.587 ( 2.103 -0.000 -0.363) 2.134 1.725 ( -10.581 0.000 -0.585) 10.597 1.912 ( -11.907 0.000 -0.547) 11.919 2.040 ( 6.383 -0.000 -0.549) 6.407 2.452 ( 12.647 -0.000 0.203) 12.649 2.580 ( -1.009 0.000 0.293) 1.051 2.610 ( 5.118 -0.000 -0.705) 5.166 2.965 ( 3.049 -0.000 -0.070) 3.050 3.096 ( 2.190 -0.000 0.769) 2.321 3.345 ( -4.797 0.000 -0.116) 4.798 3.771 ( -5.278 0.000 -0.537) 5.305 3.774 ( 2.516 -0.000 -0.139) 2.520 3.873 ( 0.292 -0.000 0.455) 0.540 4.050 ( -0.034 0.000 0.799) 0.799 4.295 ( -5.507 0.000 -0.269) 5.513 4.437 ( -6.416 0.000 -0.575) 6.441 4.559 ( -0.285 0.000 -0.258) 0.384 4.922 ( -1.165 0.000 0.105) 1.170 4.969 ( 5.344 -0.000 -0.409) 5.360 5.202 ( 0.863 -0.000 -1.096) 1.394 5.353 ( 2.775 -0.000 0.488) 2.817 7.255 ( 1.227 -0.000 0.030) 1.227 7.535 ( -4.710 0.000 0.945) 4.804 7.602 ( -0.420 0.000 0.342) 0.542 7.831 ( 1.346 -0.000 0.431) 1.414 8.001 ( -0.882 0.000 -0.979) 1.318 8.263 ( 4.276 -0.000 -0.032) 4.276 10.080 ( -1.300 0.000 0.240) 1.322 10.139 ( 0.791 -0.000 -0.014) 0.791======================= Grid point 117 (51/160) =======================q-point: (-0.56 0.33 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.216 ( -3.113 9.823 0.718) 10.329 1.565 ( -5.127 0.497 -0.199) 5.155 1.654 ( 3.789 2.340 -0.767) 4.519 1.736 ( -7.265 -3.589 -0.812) 8.143 2.134 ( 7.074 2.449 -0.164) 7.488 2.479 ( -2.676 -0.570 -0.046) 2.737 2.641 ( 3.920 6.944 -0.738) 8.008 2.777 ( 8.810 -4.969 -0.145) 10.115 2.967 ( -0.278 3.085 0.225) 3.105 3.128 ( 0.727 -2.662 0.617) 2.828 3.267 ( -4.203 -0.791 0.089) 4.278 3.692 ( -3.942 -1.420 -0.921) 4.290 3.819 ( 2.063 -1.002 0.135) 2.298 3.878 ( 0.254 1.082 0.618) 1.272 4.050 ( -0.013 0.211 0.616) 0.651 4.218 ( -3.991 -1.403 -0.048) 4.231 4.336 ( -6.129 -2.785 -0.654) 6.764 4.555 ( -0.138 0.007 0.160) 0.211 4.921 ( 0.376 -0.464 -0.038) 0.598 5.050 ( 4.800 1.070 -0.408) 4.935 5.206 ( 0.456 -0.128 -1.065) 1.165 5.397 ( 2.155 0.418 0.384) 2.228 7.277 ( 1.198 -0.368 -0.084) 1.256 7.450 ( -5.141 0.305 0.699) 5.198 7.592 ( -1.205 -0.165 0.257) 1.243 7.859 ( 1.670 -0.047 -0.059) 1.672 7.994 ( 0.382 -0.247 -0.756) 0.882 8.331 ( 3.689 0.379 0.156) 3.712 10.055 ( -2.103 0.059 1.354) 2.502 10.155 ( 1.506 0.010 -1.272) 1.972======================= Grid point 118 (52/160) =======================q-point: (-0.44 0.33 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.006 ( -4.677 16.830 0.776) 17.485 1.423 ( -5.779 7.238 0.310) 9.267 1.688 ( 0.458 -5.990 -0.923) 6.078 1.759 ( 3.275 0.379 -0.784) 3.389 2.237 ( 6.984 1.486 0.278) 7.146 2.463 ( -1.262 -2.911 -0.366) 3.194 2.513 ( -4.086 17.875 -0.706) 18.350 2.872 ( 1.020 1.354 0.592) 1.795 2.926 ( 1.187 4.713 0.310) 4.870 3.206 ( 1.345 -4.617 -0.100) 4.810 3.242 ( -1.693 -5.745 -0.247) 5.995 3.667 ( -1.163 -3.966 -1.327) 4.340 3.857 ( 1.003 -0.615 -0.062) 1.178 3.874 ( 0.031 0.012 1.191) 1.192 4.055 ( 0.106 -0.538 0.112) 0.560 4.187 ( -2.536 -3.119 0.377) 4.038 4.292 ( -2.886 -5.293 -0.554) 6.053 4.558 ( 0.103 -0.109 0.659) 0.676 4.933 ( 0.554 -0.442 -0.291) 0.766 5.095 ( 2.779 2.884 -0.385) 4.024 5.209 ( 0.318 -0.397 -0.876) 1.013 5.420 ( 1.006 0.641 -0.077) 1.196 7.302 ( 0.901 -1.129 -0.018) 1.444 7.379 ( -3.341 -0.408 0.237) 3.374 7.570 ( -1.182 0.512 0.207) 1.305 7.881 ( 1.036 -0.007 -0.759) 1.284 8.005 ( 0.700 -0.577 -0.310) 0.959 8.376 ( 2.060 1.036 0.263) 2.321 10.025 ( -2.111 0.389 1.159) 2.439 10.175 ( 1.634 -0.260 -1.197) 2.043======================= Grid point 119 (53/160) =======================q-point: (-0.33 0.33 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.803 ( -0.151 16.667 1.645) 16.749 1.288 ( 0.581 11.620 0.618) 11.651 1.747 ( 1.052 -0.201 -1.314) 1.695 1.780 ( -0.062 -2.893 0.236) 2.903 2.156 ( -1.011 31.633 -0.736) 31.658 2.380 ( 0.525 -7.943 0.501) 7.976 2.497 ( 0.185 -4.608 -0.337) 4.624 2.826 ( -0.138 6.387 0.464) 6.406 2.937 ( 0.148 -0.110 0.719) 0.743 3.244 ( -0.654 -2.962 0.061) 3.034 3.271 ( 0.384 -2.625 -1.050) 2.854 3.685 ( -0.166 -2.067 -1.843) 2.774 3.867 ( -0.057 -1.691 -0.263) 1.712 3.902 ( -0.137 -2.932 1.461) 3.279 4.068 ( 0.009 -1.994 -0.286) 2.015 4.198 ( -0.281 -4.172 0.601) 4.224 4.328 ( 0.484 -6.243 -0.365) 6.272 4.566 ( 0.183 -0.006 1.100) 1.115 4.941 ( -0.050 -0.616 -0.549) 0.827 5.080 ( 0.257 4.903 -0.299) 4.919 5.217 ( 0.513 -0.732 -0.684) 1.125 5.416 ( -0.434 0.866 -0.657) 1.170 7.328 ( 0.201 -1.899 0.506) 1.975 7.351 ( -0.583 -0.833 -0.704) 1.237 7.551 ( -0.070 1.094 0.233) 1.121 7.881 ( -0.256 -0.021 -1.310) 1.335 8.021 ( 0.341 -0.897 0.020) 0.960 8.382 ( 0.044 1.742 0.264) 1.762 9.995 ( -1.346 0.534 0.509) 1.535 10.198 ( 1.239 -0.455 -0.517) 1.418======================= Grid point 120 (54/160) =======================q-point: (-0.22 0.33 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.723 ( 5.687 13.120 2.921) 14.594 1.197 ( 2.430 18.472 0.946) 18.656 1.709 ( -0.340 3.491 -0.904) 3.623 1.757 ( -2.260 5.440 -0.358) 5.902 1.970 ( 9.480 14.938 -0.166) 17.693 2.457 ( -0.943 -6.868 0.350) 6.941 2.547 ( 0.158 -4.883 0.020) 4.886 2.774 ( 1.019 6.766 0.396) 6.853 2.910 ( -4.197 -0.351 0.743) 4.277 3.215 ( -2.692 0.980 -0.488) 2.906 3.332 ( 3.073 -3.545 -0.602) 4.730 3.671 ( 0.137 1.491 -2.030) 2.522 3.881 ( -1.015 -3.244 -0.439) 3.427 3.936 ( -0.830 -3.704 1.418) 4.052 4.081 ( -1.137 -2.897 -0.446) 3.144 4.272 ( 2.808 -5.792 0.190) 6.439 4.406 ( 2.197 -5.123 -0.160) 5.577 4.576 ( 0.247 0.277 1.301) 1.353 4.938 ( -0.470 -0.492 -0.476) 0.830 5.018 ( -1.058 5.236 -0.301) 5.350 5.228 ( 0.374 -0.744 -0.596) 1.024 5.380 ( -1.835 1.473 -1.030) 2.569 7.323 ( -2.074 -0.767 -0.428) 2.253 7.381 ( 2.511 -1.168 0.036) 2.770 7.559 ( 1.849 0.514 0.167) 1.927 7.859 ( -1.340 -0.076 -1.386) 1.930 8.033 ( -0.081 -1.341 0.022) 1.343 8.349 ( -1.743 2.181 0.145) 2.795 9.980 ( 0.013 0.309 -0.055) 0.315 10.216 ( 0.309 -0.458 0.246) 0.605======================= Grid point 121 (55/160) =======================q-point: (-0.11 0.33 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.754 ( 7.945 10.419 3.231) 13.495 1.014 ( 1.102 19.595 0.600) 19.635 1.679 ( -2.429 -1.954 -1.180) 3.334 1.800 ( 14.277 4.931 0.090) 15.105 2.042 ( 9.938 8.527 0.376) 13.100 2.474 ( -4.743 -5.524 0.247) 7.285 2.581 ( -1.228 -3.324 -0.084) 3.544 2.724 ( 1.355 8.454 0.244) 8.565 2.831 ( -5.527 -0.750 0.534) 5.603 3.142 ( -3.142 2.910 -0.203) 4.287 3.412 ( 1.716 -4.695 -0.601) 5.035 3.653 ( 1.741 2.530 -1.812) 3.565 3.892 ( -0.777 -3.094 -0.474) 3.225 3.952 ( -2.531 -3.540 1.223) 4.520 4.078 ( -1.796 -2.263 -0.289) 2.904 4.375 ( 1.781 -6.286 -0.450) 6.549 4.490 ( 2.873 -3.408 -0.276) 4.466 4.587 ( 0.589 0.343 1.091) 1.286 4.913 ( -0.929 4.521 0.234) 4.621 4.980 ( 0.565 -1.154 -0.674) 1.451 5.230 ( -0.672 -0.322 -0.736) 1.047 5.320 ( -2.154 2.064 -0.820) 3.094 7.283 ( -2.180 0.453 -0.355) 2.255 7.441 ( 3.048 -1.097 0.270) 3.250 7.594 ( 2.104 0.201 0.019) 2.114 7.829 ( -1.316 -0.324 -0.931) 1.645 8.047 ( -0.018 -1.943 -0.201) 1.954 8.288 ( -2.892 2.250 -0.088) 3.665 9.990 ( 1.401 -0.077 -0.471) 1.480 10.217 ( -0.971 -0.250 0.842) 1.309======================= Grid point 126 (56/160) =======================q-point: (-0.56 0.44 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.241 ( -2.240 0.000 0.398) 2.275 1.447 ( -5.533 0.000 1.110) 5.643 1.586 ( -4.756 0.000 -0.905) 4.842 1.766 ( 5.418 -0.000 -1.369) 5.588 2.246 ( 4.350 -0.000 0.087) 4.350 2.433 ( -1.624 0.000 -0.244) 1.643 2.789 ( 5.903 -0.000 -0.511) 5.925 2.884 ( 6.653 -0.000 -1.240) 6.768 2.979 ( -0.502 0.000 0.300) 0.585 3.067 ( -4.701 0.000 0.871) 4.781 3.192 ( -3.410 0.000 0.188) 3.415 3.624 ( -2.158 0.000 -1.198) 2.468 3.841 ( 0.787 -0.000 0.767) 1.099 3.893 ( 0.340 -0.000 0.233) 0.412 4.051 ( -0.258 0.000 0.519) 0.580 4.158 ( -2.357 0.000 0.430) 2.396 4.233 ( -3.214 0.000 -0.779) 3.307 4.556 ( 0.036 -0.000 0.603) 0.604 4.929 ( 0.709 -0.000 -0.302) 0.771 5.122 ( 3.198 -0.000 -0.414) 3.225 5.205 ( 0.197 -0.000 -0.860) 0.883 5.426 ( 0.888 -0.000 0.011) 0.888 7.290 ( 0.641 -0.000 -0.009) 0.641 7.375 ( -3.731 0.000 0.277) 3.741 7.575 ( -0.821 0.000 0.216) 0.848 7.881 ( 1.062 -0.000 -0.790) 1.323 8.000 ( 0.715 -0.000 -0.324) 0.785 8.385 ( 2.136 -0.000 0.358) 2.166 10.029 ( -2.008 0.000 1.121) 2.300 10.172 ( 1.561 -0.000 -1.267) 2.010======================= Grid point 128 (57/160) =======================q-point: (-0.44 0.44 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.125 ( -0.558 15.053 0.338) 15.067 1.413 ( 0.152 1.132 0.953) 1.487 1.597 ( 0.562 -9.342 -0.230) 9.362 1.802 ( 0.174 1.206 -1.488) 1.923 2.292 ( -0.044 -1.338 0.402) 1.397 2.426 ( 0.006 -1.897 -0.423) 1.943 2.714 ( 1.019 25.362 -1.237) 25.412 2.887 ( -0.487 0.404 0.745) 0.978 2.983 ( 0.179 3.839 0.651) 3.898 3.115 ( -0.809 -14.724 -1.193) 14.794 3.179 ( -0.075 -3.080 0.214) 3.088 3.613 ( 0.214 -2.807 -1.446) 3.164 3.857 ( -0.133 -1.051 1.110) 1.535 3.887 ( -0.214 1.485 0.000) 1.500 4.050 ( -0.278 -0.278 0.182) 0.433 4.144 ( -0.276 -1.410 0.607) 1.560 4.228 ( 0.879 -3.360 -0.360) 3.492 4.564 ( 0.192 -0.154 1.001) 1.031 4.934 ( -0.027 -0.137 -0.505) 0.524 5.143 ( 0.327 1.692 -0.338) 1.757 5.206 ( 0.477 -0.303 -0.691) 0.892 5.427 ( -0.494 0.282 -0.438) 0.718 7.302 ( 0.141 -0.768 0.468) 0.911 7.338 ( -0.581 -0.376 -0.521) 0.866 7.566 ( -0.124 0.444 0.189) 0.498 7.881 ( -0.240 -0.004 -1.381) 1.401 8.010 ( 0.372 -0.245 0.049) 0.449 8.404 ( 0.007 0.567 0.462) 0.732 10.003 ( -1.430 0.211 0.373) 1.493 10.192 ( 1.336 -0.161 -0.654) 1.496======================= Grid point 129 (58/160) =======================q-point: (-0.33 0.44 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.003 ( 3.875 15.466 0.691) 15.959 1.441 ( 6.322 6.877 0.927) 9.387 1.712 ( 1.488 -7.516 0.175) 7.663 1.742 ( -3.954 1.149 -1.543) 4.398 2.221 ( -7.111 3.987 -0.328) 8.159 2.458 ( 0.146 -2.375 -0.575) 2.448 2.529 ( 5.637 16.002 -0.164) 16.967 2.875 ( -1.056 1.100 0.745) 1.697 2.933 ( -1.419 4.588 0.617) 4.842 3.186 ( -2.184 -6.148 -1.067) 6.611 3.237 ( 1.949 -4.802 -0.154) 5.185 3.650 ( 1.350 -3.053 -1.812) 3.799 3.857 ( -0.548 1.036 -0.210) 1.191 3.881 ( -0.750 -1.963 1.470) 2.565 4.050 ( -0.387 -0.759 -0.054) 0.854 4.186 ( 2.315 -3.036 0.359) 3.834 4.307 ( 3.560 -4.704 -0.020) 5.899 4.576 ( 0.219 -0.163 1.251) 1.281 4.927 ( -0.530 -0.410 -0.539) 0.860 5.101 ( -2.241 3.015 -0.179) 3.761 5.216 ( 0.580 -0.462 -0.627) 0.971 5.400 ( -1.690 0.647 -0.755) 1.961 7.303 ( -1.308 -1.015 -0.031) 1.656 7.364 ( 3.052 -0.599 -0.210) 3.118 7.568 ( 0.864 0.408 0.144) 0.966 7.858 ( -1.313 -0.006 -1.516) 2.006 8.016 ( -0.158 -0.532 0.044) 0.557 8.381 ( -2.037 1.110 0.428) 2.359 9.985 ( -0.275 0.187 -0.342) 0.477 10.210 ( 0.618 -0.185 0.148) 0.662======================= Grid point 130 (59/160) =======================q-point: (-0.22 0.44 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.974 ( 7.224 12.257 1.069) 14.268 1.410 ( 0.625 18.809 0.497) 18.826 1.642 ( -6.480 -1.736 -1.332) 6.839 1.796 ( 6.237 -1.706 -0.187) 6.469 2.130 ( 0.143 -2.679 -0.237) 2.693 2.455 ( 1.195 2.581 -0.434) 2.877 2.555 ( 4.054 2.516 0.251) 4.778 2.823 ( -5.483 -0.438 0.650) 5.539 2.878 ( 1.517 7.041 0.481) 7.218 3.162 ( -3.926 -1.799 -0.630) 4.364 3.308 ( 0.868 -4.656 -0.406) 4.754 3.685 ( 2.446 0.096 -1.838) 3.061 3.844 ( -0.232 -0.831 -0.387) 0.946 3.893 ( -1.725 -2.617 1.628) 3.532 4.048 ( -0.786 -0.913 -0.051) 1.206 4.273 ( 3.251 -4.098 -0.049) 5.231 4.420 ( 4.396 -3.937 -0.160) 5.904 4.589 ( 0.282 -0.093 1.250) 1.285 4.929 ( 0.609 -1.094 -0.223) 1.272 5.018 ( -3.537 3.337 -0.094) 4.864 5.222 ( -0.084 -0.408 -0.717) 0.830 5.351 ( -2.289 1.200 -0.745) 2.690 7.281 ( -1.821 -0.482 -0.314) 1.910 7.430 ( 3.827 -0.153 0.156) 3.833 7.591 ( 1.583 -0.427 0.055) 1.640 7.825 ( -1.387 -0.078 -1.142) 1.798 8.019 ( -0.096 -0.974 -0.235) 1.007 8.323 ( -3.414 1.434 0.248) 3.711 9.988 ( 1.094 -0.104 -0.817) 1.369 10.215 ( -0.517 -0.000 0.865) 1.008======================= Grid point 131 (60/160) =======================q-point: (-0.11 0.44 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.985 ( 4.456 10.667 0.645) 11.578 1.209 ( 1.591 17.307 0.499) 17.387 1.547 ( -7.262 -5.379 -1.542) 9.168 1.991 ( 12.122 -3.905 0.039) 12.736 2.211 ( 2.090 -6.438 0.063) 6.769 2.430 ( -0.031 5.045 -0.090) 5.046 2.573 ( 1.101 4.806 -0.139) 4.932 2.732 ( -5.386 -0.545 0.322) 5.423 2.845 ( 1.915 6.273 0.269) 6.564 3.107 ( -2.739 -0.252 -0.106) 2.753 3.344 ( -1.558 -4.838 -0.485) 5.106 3.709 ( 2.985 2.205 -1.307) 3.935 3.854 ( -0.674 -1.652 0.117) 1.788 3.900 ( -0.595 -2.484 0.766) 2.666 4.037 ( -1.791 -1.001 0.095) 2.054 4.359 ( 2.596 -3.356 -0.229) 4.249 4.507 ( 2.474 -2.161 -0.521) 3.326 4.602 ( 0.264 -0.064 0.846) 0.888 4.922 ( -2.987 3.239 0.168) 4.409 4.980 ( 2.584 -2.559 -0.002) 3.637 5.203 ( -1.888 0.410 -0.789) 2.087 5.301 ( -1.360 1.196 -0.606) 1.910 7.253 ( -1.443 0.020 -0.168) 1.453 7.487 ( 2.621 -0.012 0.274) 2.636 7.622 ( 1.174 -0.548 0.105) 1.300 7.806 ( -0.445 -0.276 -0.393) 0.655 8.033 ( 0.694 -1.365 -0.554) 1.628 8.248 ( -3.645 1.467 -0.007) 3.929 10.013 ( 2.162 -0.408 -1.172) 2.493 10.202 ( -1.725 0.269 1.435) 2.260======================= Grid point 137 (61/160) =======================q-point: ( 0.56 -0.44 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.216 ( 1.013 -0.000 -0.423) 1.097 1.471 ( 5.912 -0.000 1.871) 6.201 1.597 ( 5.609 -0.000 -0.449) 5.627 1.754 ( -5.053 0.000 -1.725) 5.340 2.256 ( -4.102 0.000 0.389) 4.120 2.423 ( 1.383 -0.000 -0.602) 1.509 2.834 ( -5.782 0.000 1.066) 5.880 2.854 ( -7.035 0.000 -2.219) 7.376 2.979 ( 1.306 -0.000 0.087) 1.309 3.036 ( 4.039 -0.000 -0.018) 4.039 3.193 ( 3.345 -0.000 0.193) 3.351 3.615 ( 2.523 -0.000 -1.498) 2.934 3.856 ( -0.350 0.000 1.487) 1.528 3.882 ( -1.075 0.000 -0.434) 1.159 4.043 ( -0.435 0.000 0.228) 0.491 4.157 ( 2.291 -0.000 0.373) 2.322 4.256 ( 4.139 -0.000 0.096) 4.140 4.574 ( 0.286 -0.000 1.194) 1.227 4.923 ( -0.694 0.000 -0.538) 0.879 5.129 ( -2.561 0.000 -0.166) 2.566 5.212 ( 0.674 -0.000 -0.639) 0.928 5.406 ( -1.650 0.000 -0.675) 1.783 7.292 ( -1.020 0.000 0.043) 1.021 7.358 ( 3.291 -0.000 -0.274) 3.302 7.573 ( 0.459 -0.000 0.106) 0.471 7.858 ( -1.295 0.000 -1.540) 2.012 8.011 ( -0.175 0.000 0.043) 0.180 8.391 ( -2.137 0.000 0.553) 2.208 9.987 ( -0.396 0.000 -0.457) 0.604 10.208 ( 0.750 -0.000 0.116) 0.759======================= Grid point 139 (62/160) =======================q-point: (-0.33 0.56 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.187 ( 2.235 8.148 -0.257) 8.452 1.613 ( 5.740 0.088 1.502) 5.934 1.627 ( -4.753 2.168 -1.670) 5.485 1.745 ( 8.603 -3.107 -0.478) 9.159 2.137 ( -7.124 4.423 -0.119) 8.386 2.461 ( 2.405 -0.542 -0.695) 2.561 2.646 ( -4.985 4.501 -0.922) 6.779 2.778 ( -7.920 -4.927 0.243) 9.330 2.978 ( 0.372 3.065 0.528) 3.132 3.098 ( -0.294 -2.147 -0.305) 2.189 3.269 ( 4.329 -0.546 0.150) 4.366 3.668 ( 4.098 -0.856 -1.660) 4.504 3.849 ( -1.987 -0.520 0.396) 2.091 3.864 ( -0.211 0.385 0.833) 0.942 4.039 ( -0.396 -0.146 0.231) 0.482 4.223 ( 4.306 -1.220 0.169) 4.479 4.355 ( 5.728 -2.247 -0.030) 6.153 4.587 ( 0.309 -0.074 1.204) 1.245 4.913 ( -0.116 -0.480 -0.336) 0.598 5.063 ( -4.324 1.225 0.057) 4.495 5.216 ( 0.147 -0.160 -0.724) 0.755 5.366 ( -2.217 0.381 -0.665) 2.345 7.272 ( -1.445 -0.345 -0.298) 1.515 7.431 ( 4.837 0.091 0.078) 4.839 7.583 ( 0.598 -0.288 -0.072) 0.668 7.825 ( -1.430 0.002 -1.190) 1.861 8.008 ( -0.101 -0.259 -0.285) 0.398 8.342 ( -3.708 0.483 0.497) 3.773 9.987 ( 0.897 -0.050 -1.042) 1.376 10.216 ( -0.257 0.037 0.872) 0.910======================= Grid point 140 (63/160) =======================q-point: (-0.22 0.56 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.151 ( 0.435 4.807 0.018) 4.827 1.473 ( -7.292 3.722 -1.884) 8.401 1.615 ( 0.844 17.483 0.327) 17.506 1.938 ( 11.781 -1.767 -0.109) 11.913 2.056 ( -0.789 -7.007 -0.104) 7.052 2.470 ( -1.265 -0.134 -0.512) 1.371 2.613 ( 0.118 -3.465 -0.429) 3.494 2.690 ( -7.544 -4.604 0.240) 8.841 2.929 ( -3.141 3.864 0.067) 4.980 3.079 ( -1.785 -0.487 0.169) 1.858 3.331 ( 3.365 1.780 0.052) 3.807 3.734 ( 4.147 0.467 -1.575) 4.461 3.829 ( -1.713 -1.405 0.465) 2.264 3.868 ( 0.527 -0.481 0.758) 1.041 4.030 ( -0.984 0.329 0.345) 1.093 4.316 ( 4.851 -1.280 0.002) 5.017 4.466 ( 4.384 -2.100 -0.533) 4.891 4.599 ( 0.229 -0.112 1.004) 1.036 4.938 ( 2.199 -1.681 0.068) 2.769 4.971 ( -4.544 1.785 0.245) 4.888 5.206 ( -0.998 0.023 -0.819) 1.291 5.321 ( -1.908 0.752 -0.524) 2.117 7.248 ( -1.373 -0.337 -0.280) 1.441 7.500 ( 3.390 1.119 0.215) 3.577 7.600 ( 0.672 -1.463 -0.165) 1.618 7.802 ( -0.592 -0.149 -0.503) 0.791 8.015 ( 1.056 -0.485 -0.618) 1.316 8.270 ( -4.165 0.755 0.294) 4.243 10.006 ( 2.064 -0.272 -1.389) 2.502 10.207 ( -1.499 0.241 1.481) 2.121======================= Grid point 141 (64/160) =======================q-point: (-0.11 -0.44 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.076 ( -4.681 4.940 0.047) 6.806 1.278 ( -8.510 2.877 -0.696) 9.010 1.492 ( 3.890 11.986 -1.273) 12.666 2.148 ( 5.411 -6.149 0.413) 8.201 2.175 ( 8.452 -4.180 -0.489) 9.442 2.423 ( -3.400 1.316 -0.035) 3.646 2.584 ( -8.793 -2.272 0.083) 9.082 2.657 ( 0.768 -1.041 -0.201) 1.309 2.835 ( -4.875 -2.788 -0.592) 5.647 3.073 ( -0.131 -0.601 0.452) 0.763 3.352 ( 3.016 4.361 -0.028) 5.303 3.772 ( 2.981 1.850 -1.104) 3.679 3.812 ( -2.663 -1.576 1.274) 3.346 3.915 ( 3.336 -1.308 -0.353) 3.600 4.003 ( -1.678 0.857 0.492) 1.947 4.396 ( 3.377 -0.088 -0.089) 3.379 4.525 ( 1.686 -0.721 -0.770) 1.989 4.606 ( -0.164 -0.028 0.539) 0.564 4.890 ( -2.864 1.310 0.171) 3.154 5.016 ( 3.863 -2.040 0.475) 4.395 5.170 ( -2.014 0.814 -0.493) 2.227 5.287 ( -0.858 0.422 -0.747) 1.213 7.233 ( -0.595 -0.347 -0.091) 0.695 7.524 ( 0.775 0.884 0.118) 1.182 7.625 ( 0.423 -1.280 0.076) 1.350 7.803 ( 0.379 -0.383 0.239) 0.589 8.043 ( 1.930 -0.216 -0.811) 2.104 8.201 ( -2.841 0.570 0.053) 2.898 10.042 ( 2.776 -0.396 -1.661) 3.259 10.179 ( -2.599 0.384 1.946) 3.269======================= Grid point 148 (65/160) =======================q-point: (-0.33 -0.33 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.181 ( -6.423 0.000 -0.597) 6.451 1.539 ( -2.223 0.000 -2.076) 3.041 1.780 ( 10.327 -0.000 1.323) 10.412 1.921 ( 11.983 -0.000 -0.223) 11.985 2.056 ( -5.994 0.000 -0.031) 5.994 2.399 ( -14.315 0.000 -1.616) 14.406 2.542 ( 2.757 -0.000 -0.988) 2.928 2.653 ( -5.377 0.000 0.729) 5.426 2.976 ( -3.883 0.000 0.222) 3.890 3.082 ( -1.329 0.000 0.397) 1.387 3.352 ( 5.030 -0.000 0.150) 5.032 3.738 ( 5.405 -0.000 -1.621) 5.643 3.811 ( -2.227 0.000 0.568) 2.298 3.867 ( -0.229 0.000 0.767) 0.800 4.038 ( -0.141 0.000 0.406) 0.430 4.305 ( 5.623 -0.000 0.106) 5.624 4.442 ( 5.460 -0.000 -0.504) 5.483 4.598 ( 0.248 -0.000 1.004) 1.034 4.921 ( 1.843 -0.000 0.070) 1.845 4.989 ( -4.980 0.000 0.281) 4.988 5.206 ( -0.731 0.000 -0.827) 1.104 5.328 ( -2.007 0.000 -0.488) 2.065 7.244 ( -1.304 0.000 -0.331) 1.346 7.516 ( 4.523 -0.000 0.319) 4.534 7.581 ( -0.330 0.000 -0.423) 0.537 7.801 ( -0.723 0.000 -0.537) 0.901 8.011 ( 1.205 -0.000 -0.644) 1.366 8.277 ( -4.354 0.000 0.424) 4.374 10.003 ( 2.034 -0.000 -1.473) 2.512 10.209 ( -1.426 0.000 1.494) 2.065======================= Grid point 149 (66/160) =======================q-point: (-0.22 -0.33 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.029 ( -11.630 -3.546 -0.755) 12.182 1.483 ( -0.025 10.017 -1.467) 10.124 1.798 ( -3.670 19.084 -0.660) 19.445 2.007 ( 4.610 -6.055 0.441) 7.623 2.105 ( 4.950 -6.730 -0.502) 8.370 2.291 ( -3.128 -12.365 -0.327) 12.758 2.551 ( -3.672 2.341 0.170) 4.358 2.615 ( 0.844 -3.100 -0.261) 3.223 2.835 ( -10.417 1.247 -0.373) 10.498 3.072 ( -0.357 0.160 0.645) 0.754 3.425 ( 4.573 2.144 -0.017) 5.050 3.782 ( -1.860 -0.518 0.697) 2.053 3.813 ( 4.039 1.372 -0.846) 4.348 3.884 ( 1.961 -1.583 0.096) 2.522 4.029 ( -0.742 1.139 0.526) 1.457 4.399 ( 5.206 0.223 0.022) 5.211 4.514 ( 3.013 -0.399 -0.924) 3.177 4.605 ( -0.134 -0.020 0.721) 0.734 4.910 ( -3.841 0.644 0.352) 3.911 4.983 ( 4.486 -1.126 0.473) 4.650 5.181 ( -1.619 0.263 -0.574) 1.738 5.294 ( -1.469 0.229 -0.655) 1.624 7.226 ( -0.705 -0.240 -0.203) 0.772 7.552 ( 0.427 1.888 -0.146) 1.941 7.593 ( 0.914 -1.991 0.093) 2.192 7.797 ( 0.326 -0.213 0.071) 0.396 8.042 ( 2.811 0.040 -0.777) 2.916 8.208 ( -3.609 0.181 0.208) 3.619 10.036 ( 2.878 -0.148 -1.698) 3.345 10.185 ( -2.629 0.161 1.926) 3.263======================= Grid point 150 (67/160) =======================q-point: (-0.11 -0.33 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.872 ( -12.835 -8.243 -0.498) 15.262 1.240 ( -10.012 17.038 -0.397) 19.765 1.647 ( 2.119 7.247 -1.752) 7.751 2.112 ( -5.749 -14.737 -0.097) 15.818 2.245 ( 6.357 -4.754 -0.204) 7.941 2.344 ( -8.368 2.071 0.055) 8.621 2.467 ( 4.224 1.756 0.449) 4.596 2.659 ( 0.056 -3.327 -0.262) 3.338 2.695 ( -4.241 -3.357 -0.590) 5.440 3.067 ( -0.654 -0.495 0.429) 0.926 3.464 ( 3.594 4.063 -0.267) 5.432 3.756 ( -2.849 -1.275 1.179) 3.337 3.849 ( 3.940 3.121 -0.547) 5.056 3.947 ( 2.130 -0.954 -0.147) 2.338 4.011 ( 0.662 0.783 0.313) 1.072 4.459 ( 2.684 2.163 0.023) 3.447 4.541 ( 1.088 0.386 -0.960) 1.501 4.604 ( -0.329 -0.121 0.414) 0.543 4.861 ( -1.594 -0.003 0.234) 1.611 5.071 ( 2.850 0.327 0.463) 2.906 5.152 ( -0.041 -0.304 -0.023) 0.308 5.269 ( -0.706 -0.281 -1.082) 1.322 7.226 ( 0.335 -0.576 -0.022) 0.667 7.532 ( -0.701 1.280 -0.138) 1.466 7.614 ( -0.520 -1.527 0.295) 1.640 7.814 ( 1.065 -0.231 0.506) 1.201 8.078 ( 1.881 1.443 -0.771) 2.493 8.171 ( -0.380 -0.941 -0.050) 1.016 10.079 ( 3.233 -0.114 -1.873) 3.738 10.143 ( -3.482 0.166 2.212) 4.129======================= Grid point 158 (68/160) =======================q-point: (-0.22 -0.22 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.780 ( -13.961 0.000 -0.810) 13.984 1.565 ( 1.258 -0.000 -0.978) 1.593 1.676 ( -21.925 0.000 -0.949) 21.946 1.858 ( -6.796 0.000 -0.521) 6.816 2.191 ( 13.243 -0.000 -0.140) 13.244 2.393 ( 8.846 -0.000 -0.011) 8.846 2.462 ( -10.706 0.000 0.587) 10.722 2.628 ( 3.348 -0.000 -0.119) 3.351 2.667 ( -6.126 0.000 -0.645) 6.160 3.063 ( -1.233 0.000 0.437) 1.308 3.501 ( 2.970 -0.000 -0.352) 2.991 3.743 ( -2.944 0.000 1.356) 3.241 3.900 ( 4.602 -0.000 -0.980) 4.705 3.920 ( 4.264 -0.000 0.043) 4.264 4.019 ( -1.232 0.000 0.467) 1.317 4.482 ( 3.810 -0.000 0.060) 3.811 4.546 ( 1.944 -0.000 -1.046) 2.208 4.601 ( -0.765 0.000 0.555) 0.945 4.862 ( -2.355 0.000 0.297) 2.374 5.071 ( 5.691 -0.000 0.544) 5.717 5.150 ( -1.937 0.000 -0.032) 1.937 5.267 ( -1.170 0.000 -1.173) 1.657 7.219 ( 0.187 -0.000 -0.074) 0.201 7.553 ( -0.243 0.000 -0.683) 0.725 7.591 ( -0.981 0.000 0.765) 1.244 7.811 ( 1.353 -0.000 0.396) 1.410 8.096 ( 3.741 -0.000 -0.763) 3.818 8.159 ( -2.231 0.000 0.023) 2.231 10.078 ( 3.358 -0.000 -1.808) 3.814 10.145 ( -3.581 0.000 2.135) 4.169======================= Grid point 159 (69/160) =======================q-point: (-0.11 -0.22 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.572 ( -13.452 -6.051 0.238) 14.752 1.159 ( -19.949 17.096 -0.331) 26.275 1.614 ( -11.123 -15.540 -0.605) 19.121 1.759 ( -7.694 -4.149 -0.974) 8.795 2.217 ( -10.696 5.978 0.203) 12.255 2.414 ( 12.043 0.169 -0.360) 12.050 2.490 ( -1.128 -7.222 -0.306) 7.316 2.626 ( 1.894 2.392 -0.433) 3.082 2.754 ( 9.352 0.314 0.477) 9.369 3.043 ( -1.408 -1.246 0.152) 1.886 3.515 ( -0.294 1.202 -0.533) 1.347 3.701 ( -3.129 -0.760 1.061) 3.391 3.949 ( 2.652 1.259 0.021) 2.936 3.982 ( 2.385 3.306 0.090) 4.077 4.039 ( 4.105 -1.900 -0.331) 4.536 4.512 ( 0.819 1.522 0.179) 1.737 4.564 ( 0.961 2.061 -0.666) 2.369 4.598 ( 0.268 -0.966 0.173) 1.018 4.834 ( -1.345 -0.521 -0.052) 1.443 5.099 ( -1.895 2.747 0.333) 3.354 5.177 ( 4.115 -2.016 0.285) 4.591 5.247 ( -0.222 -0.730 -1.427) 1.618 7.233 ( 1.127 -0.574 0.011) 1.264 7.533 ( -1.259 2.298 0.035) 2.621 7.579 ( -1.171 -2.317 0.121) 2.599 7.841 ( 1.725 0.179 0.477) 1.799 8.114 ( 0.080 2.693 -0.382) 2.721 8.171 ( 2.469 -2.446 -0.475) 3.508 10.093 ( -3.900 -0.001 1.979) 4.373 10.124 ( 3.241 0.055 -1.649) 3.637======================= Grid point 168 (70/160) =======================q-point: (-0.11 -0.11 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.338 ( -11.190 0.000 3.970) 11.874 0.865 ( -25.088 0.000 0.058) 25.088 1.127 ( -28.028 0.000 0.493) 28.032 1.708 ( -1.466 0.000 -1.579) 2.155 2.111 ( -5.460 0.000 0.515) 5.485 2.395 ( -3.586 0.000 0.005) 3.586 2.638 ( 12.703 -0.000 -0.794) 12.728 2.674 ( 2.568 -0.000 -0.514) 2.619 2.945 ( 10.581 -0.000 0.753) 10.608 3.007 ( -1.342 0.000 -0.199) 1.357 3.474 ( -4.670 0.000 -0.435) 4.691 3.655 ( -2.350 0.000 0.222) 2.360 3.959 ( -0.550 0.000 0.809) 0.978 4.053 ( 3.092 -0.000 -0.936) 3.231 4.129 ( 6.408 -0.000 -0.097) 6.409 4.520 ( -0.353 0.000 0.223) 0.418 4.566 ( -1.493 0.000 0.337) 1.530 4.624 ( 2.578 -0.000 -0.487) 2.624 4.806 ( -1.338 0.000 -1.318) 1.878 5.073 ( -2.690 0.000 0.107) 2.693 5.231 ( 2.813 -0.000 0.260) 2.825 5.236 ( 0.561 -0.000 -1.401) 1.509 7.252 ( 1.502 -0.000 -0.040) 1.502 7.501 ( -3.809 0.000 0.624) 3.860 7.571 ( 1.444 -0.000 -1.120) 1.828 7.873 ( 1.396 -0.000 0.151) 1.405 8.122 ( -0.341 0.000 -0.118) 0.361 8.200 ( 2.573 -0.000 -0.716) 2.671 10.039 ( -3.687 0.000 1.831) 4.117 10.167 ( 2.761 -0.000 -1.553) 3.168======================= Grid point 169 (71/160) =======================q-point: ( 0.00 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.255 ( 0.189 -0.000 4.694) 4.698 0.310 ( 1.594 -0.000 5.274) 5.510 0.572 ( -0.049 0.000 9.834) 9.834 1.618 ( 0.965 -0.000 -1.837) 2.075 2.069 ( -0.258 0.000 1.238) 1.264 2.337 ( 0.132 -0.000 0.572) 0.587 2.697 ( 0.520 -0.000 -0.824) 0.974 2.938 ( 1.610 -0.000 0.810) 1.802 2.982 ( 0.021 -0.000 0.567) 0.568 3.180 ( -3.899 0.000 -1.279) 4.103 3.266 ( 2.427 -0.000 0.327) 2.449 3.555 ( -0.573 0.000 -1.941) 2.023 3.930 ( 0.059 -0.000 -0.533) 0.536 4.138 ( 1.327 -0.000 -0.339) 1.369 4.248 ( -0.025 0.000 -0.114) 0.116 4.506 ( -0.632 0.000 0.000) 0.632 4.532 ( 0.037 -0.000 0.767) 0.768 4.579 ( -2.315 0.000 0.397) 2.349 4.679 ( 0.528 -0.000 0.105) 0.538 4.999 ( -0.219 0.000 -0.653) 0.689 5.240 ( 0.964 -0.000 -0.604) 1.138 5.261 ( -0.427 0.000 -0.280) 0.511 7.287 ( 0.148 -0.000 -0.136) 0.201 7.419 ( -0.521 0.000 0.104) 0.531 7.521 ( 0.073 -0.000 1.047) 1.049 7.867 ( -0.420 0.000 -0.924) 1.015 8.117 ( 0.074 -0.000 -0.042) 0.085 8.236 ( 0.509 -0.000 -0.577) 0.769 9.999 ( -1.601 0.000 1.433) 2.149 10.228 ( 1.885 -0.000 -0.582) 1.972======================= Grid point 170 (72/160) =======================q-point: ( 0.11 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.524 ( 16.434 -1.360 1.865) 16.595 0.619 ( 0.989 -0.925 7.421) 7.543 0.821 ( 26.381 -24.168 1.417) 35.806 1.649 ( 3.244 -0.259 -1.738) 3.689 2.056 ( 1.313 4.876 0.965) 5.141 2.395 ( 2.404 -6.016 0.575) 6.504 2.682 ( -0.751 2.161 -0.795) 2.422 2.849 ( -10.142 1.491 -0.094) 10.252 2.965 ( -0.886 3.807 0.262) 3.918 3.097 ( -5.324 -3.552 0.163) 6.403 3.365 ( 6.808 -0.195 -0.369) 6.821 3.554 ( 0.982 -0.874 -1.519) 2.009 3.929 ( 0.106 0.169 -0.327) 0.383 4.119 ( -1.394 2.842 -0.445) 3.197 4.205 ( -3.707 1.717 -0.189) 4.090 4.502 ( 0.971 2.774 0.115) 2.941 4.547 ( 1.061 0.431 0.179) 1.159 4.564 ( 2.548 3.521 0.311) 4.358 4.724 ( -0.064 -7.417 0.007) 7.418 4.999 ( 1.412 1.450 -0.500) 2.085 5.237 ( -0.396 0.568 -0.649) 0.949 5.262 ( -0.812 -2.321 -0.529) 2.516 7.280 ( -1.344 -0.918 -0.248) 1.647 7.436 ( 2.362 0.545 0.312) 2.444 7.544 ( 1.600 -0.273 0.337) 1.657 7.849 ( -0.841 0.329 -0.630) 1.101 8.108 ( 0.086 1.863 -0.122) 1.869 8.238 ( -1.108 -2.219 -0.641) 2.562 9.991 ( -0.348 0.024 1.314) 1.359 10.240 ( 0.314 0.470 -0.679) 0.883======================= Grid point 171 (73/160) =======================q-point: ( 0.22 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.702 ( 4.039 -3.374 3.702) 6.435 0.812 ( 14.321 -0.189 0.521) 14.331 1.500 ( 25.272 -22.463 0.552) 33.817 1.682 ( 1.804 1.611 -1.701) 2.957 2.055 ( 4.356 5.284 0.505) 6.867 2.516 ( 2.477 -6.400 0.704) 6.899 2.603 ( -6.571 1.593 -0.838) 6.813 2.652 ( -7.208 2.059 -0.455) 7.510 2.873 ( -5.539 3.375 0.264) 6.491 3.072 ( -2.500 -4.250 0.192) 4.935 3.460 ( 4.392 1.718 -0.446) 4.738 3.581 ( 1.996 -1.632 -0.736) 2.681 3.928 ( 0.468 1.011 0.124) 1.121 4.039 ( -3.916 4.001 -0.147) 5.600 4.115 ( -3.796 1.608 -0.210) 4.127 4.479 ( 0.391 4.730 0.047) 4.746 4.548 ( 1.909 3.789 -0.548) 4.278 4.586 ( 0.751 -0.987 0.339) 1.286 4.799 ( 0.452 -6.674 -0.148) 6.691 5.012 ( 2.433 2.401 -0.150) 3.422 5.212 ( -1.951 -0.354 -0.608) 2.074 5.263 ( -0.904 -1.892 -0.779) 2.237 7.262 ( -1.534 -0.858 -0.113) 1.761 7.477 ( 3.103 1.548 0.484) 3.501 7.580 ( 1.780 -1.148 -0.000) 2.118 7.828 ( -0.773 0.626 -0.119) 1.002 8.084 ( -0.119 2.628 -0.378) 2.658 8.230 ( -2.418 -2.900 -0.548) 3.815 9.999 ( 0.547 0.270 0.843) 1.041 10.229 ( -0.517 0.282 -0.272) 0.649======================= Grid point 172 (74/160) =======================q-point: ( 0.33 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.855 ( 6.967 -4.246 0.846) 8.202 1.017 ( 9.326 -1.709 0.374) 9.489 1.632 ( -2.604 6.199 -1.812) 6.964 2.062 ( 19.748 -6.263 0.115) 20.718 2.128 ( 7.446 -5.894 0.177) 9.498 2.384 ( -9.917 1.294 -0.180) 10.003 2.544 ( -4.915 1.703 -0.300) 5.210 2.690 ( 4.146 -8.364 -0.065) 9.335 2.752 ( -5.555 0.403 0.081) 5.571 3.080 ( -0.861 -2.453 0.286) 2.615 3.446 ( -1.366 5.396 -0.678) 5.608 3.650 ( 3.475 -2.206 0.169) 4.119 3.903 ( -1.622 3.539 -0.115) 3.895 3.953 ( -1.772 1.230 0.493) 2.213 4.055 ( -2.297 0.651 -0.251) 2.401 4.433 ( 0.086 4.772 -0.180) 4.776 4.540 ( 0.920 2.292 -0.372) 2.498 4.603 ( -0.049 -0.884 0.028) 0.885 4.850 ( -0.642 -4.152 -0.109) 4.202 5.033 ( 2.944 2.654 0.203) 3.969 5.174 ( -2.791 -1.084 -0.427) 3.024 5.261 ( -0.456 -1.268 -0.905) 1.623 7.246 ( -1.064 -0.509 0.043) 1.180 7.511 ( 2.322 1.531 0.380) 2.807 7.623 ( 1.589 -0.978 0.218) 1.879 7.815 ( -0.133 0.488 0.387) 0.637 8.054 ( -0.070 2.419 -0.750) 2.534 8.207 ( -2.847 -2.368 -0.350) 3.719 10.011 ( 1.007 0.569 -0.009) 1.156 10.218 ( -0.860 -0.200 0.497) 1.014======================= Grid point 173 (75/160) =======================q-point: (-0.56 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.970 ( 3.286 0.217 0.062) 3.294 1.211 ( 7.956 -8.449 0.215) 11.607 1.452 ( -7.045 10.724 -1.712) 12.945 2.213 ( 6.851 2.053 0.035) 7.152 2.252 ( -2.415 1.023 -0.342) 2.645 2.393 ( -0.632 -0.031 -0.020) 0.633 2.491 ( 1.818 -8.791 -0.070) 8.977 2.678 ( -2.106 0.802 -0.167) 2.260 2.826 ( 2.446 -4.874 -0.445) 5.471 3.089 ( -0.261 -0.860 0.426) 0.994 3.343 ( -2.445 4.722 -0.235) 5.322 3.726 ( 2.977 -1.873 0.291) 3.529 3.851 ( -1.692 1.196 -0.002) 2.072 3.937 ( 1.053 1.279 0.138) 1.662 4.007 ( -2.614 0.414 0.025) 2.647 4.405 ( 0.532 1.622 -0.303) 1.734 4.532 ( 0.341 1.117 -0.149) 1.177 4.603 ( -0.646 -0.671 -0.261) 0.967 4.861 ( -0.738 -1.616 -0.050) 1.777 5.057 ( 1.378 0.985 0.400) 1.740 5.144 ( -1.047 -0.699 -0.476) 1.346 5.261 ( 0.148 -0.348 -0.801) 0.886 7.237 ( -0.302 -0.024 0.087) 0.315 7.530 ( 0.850 0.836 0.340) 1.240 7.644 ( 0.364 0.154 0.268) 0.478 7.821 ( 0.617 0.100 0.752) 0.978 8.032 ( 0.200 1.013 -1.073) 1.489 8.183 ( -1.433 -1.099 -0.153) 1.812 10.023 ( 1.498 0.481 -0.930) 1.828 10.208 ( -1.470 -0.334 1.363) 2.032======================= Grid point 174 (76/160) =======================q-point: (-0.44 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.962 ( -4.275 1.472 0.205) 4.526 1.178 ( -8.681 10.904 0.476) 13.946 1.445 ( 7.021 -9.032 -1.650) 11.559 2.212 ( -7.577 -2.488 -0.031) 7.975 2.259 ( 3.741 -1.251 -0.353) 3.960 2.389 ( -0.700 -0.079 0.088) 0.710 2.491 ( -1.449 7.854 -0.065) 7.987 2.675 ( 1.857 -0.640 -0.141) 1.969 2.809 ( -2.799 6.319 -0.311) 6.918 3.092 ( 0.348 0.852 0.384) 0.998 3.354 ( 3.112 -5.185 -0.324) 6.056 3.778 ( 0.428 0.079 -0.606) 0.746 3.817 ( -0.172 -0.361 0.901) 0.986 3.944 ( -0.675 -0.829 -0.364) 1.130 4.000 ( 2.167 -0.639 0.310) 2.281 4.409 ( -0.204 -2.100 -0.396) 2.146 4.529 ( 0.017 0.149 0.069) 0.166 4.597 ( -0.520 -0.849 -0.307) 1.042 4.866 ( 0.582 0.451 -0.059) 0.738 5.057 ( -1.975 -1.928 0.402) 2.790 5.153 ( 2.153 0.566 -0.868) 2.389 5.263 ( 1.007 1.121 -0.573) 1.612 7.238 ( 0.603 0.436 0.078) 0.748 7.525 ( -1.017 0.239 0.343) 1.099 7.642 ( -0.391 0.574 0.313) 0.762 7.833 ( 0.483 0.278 0.608) 0.825 8.030 ( 0.133 -1.302 -1.037) 1.670 8.184 ( 1.407 0.665 -0.146) 1.563 10.044 ( 2.105 -0.019 -1.548) 2.613 10.187 ( -2.407 -0.006 1.977) 3.115======================= Grid point 175 (77/160) =======================q-point: (-0.33 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.774 ( -10.708 8.543 2.062) 13.852 0.976 ( -9.991 2.053 0.560) 10.215 1.599 ( 3.808 -4.906 -1.540) 6.398 2.059 ( -20.035 6.303 0.125) 21.003 2.118 ( -7.515 6.163 0.292) 9.723 2.393 ( 9.608 -1.922 -0.186) 9.801 2.550 ( 4.397 -2.595 -0.409) 5.122 2.664 ( -3.426 9.297 0.114) 9.908 2.744 ( 5.080 -1.072 0.208) 5.196 3.088 ( 0.967 2.642 0.204) 2.821 3.450 ( 1.159 -4.517 -0.658) 4.709 3.729 ( -2.910 1.581 -0.725) 3.390 3.885 ( 3.967 -3.551 0.373) 5.337 3.953 ( -0.111 -1.967 0.154) 1.977 4.047 ( 2.722 -0.195 -0.130) 2.732 4.442 ( 0.374 -5.263 -0.426) 5.294 4.530 ( -0.322 -0.791 0.260) 0.893 4.594 ( -0.764 -0.848 -0.261) 1.171 4.861 ( 0.336 2.673 -0.183) 2.700 5.045 ( -2.343 -3.071 0.064) 3.863 5.180 ( 1.875 0.001 -1.166) 2.208 5.269 ( 2.357 2.803 -0.441) 3.689 7.250 ( 1.429 0.876 0.011) 1.676 7.503 ( -1.964 -1.005 0.302) 2.227 7.619 ( -1.558 1.270 0.253) 2.026 7.845 ( 0.891 -0.073 0.051) 0.895 8.047 ( 0.225 -2.741 -0.671) 2.830 8.208 ( 2.820 2.176 -0.303) 3.575 10.072 ( 1.816 -0.489 -1.734) 2.558 10.154 ( -2.485 0.371 2.247) 3.371======================= Grid point 176 (78/160) =======================q-point: (-0.22 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.560 ( -7.395 6.545 6.347) 11.739 0.746 ( -16.613 0.558 1.018) 16.653 1.486 ( -24.261 22.122 0.994) 32.847 1.662 ( -0.795 -0.469 -1.784) 2.009 2.046 ( -4.691 -5.388 0.586) 7.168 2.501 ( -3.287 7.058 0.836) 7.831 2.601 ( 8.241 -1.851 -0.699) 8.475 2.644 ( 5.778 -1.551 -0.514) 6.005 2.869 ( 4.854 -4.726 0.333) 6.783 3.086 ( 3.305 4.586 0.049) 5.653 3.451 ( -3.823 -1.539 -0.498) 4.152 3.658 ( -2.767 1.560 -1.376) 3.462 3.956 ( -0.991 -1.273 -0.338) 1.648 3.998 ( 3.809 -3.747 0.518) 5.368 4.116 ( 4.737 -1.476 -0.238) 4.968 4.501 ( 0.476 -4.632 -0.227) 4.662 4.538 ( -0.684 -2.707 0.333) 2.812 4.581 ( -1.585 -0.934 -0.585) 1.931 4.818 ( -0.862 4.761 -0.594) 4.875 5.032 ( -2.434 -2.737 -0.326) 3.677 5.201 ( 1.296 -0.392 -1.018) 1.695 5.280 ( 2.633 3.512 -0.663) 4.440 7.267 ( 1.865 1.348 -0.188) 2.309 7.481 ( -2.851 -2.033 0.295) 3.514 7.576 ( -1.580 1.588 -0.283) 2.258 7.863 ( 0.884 -0.469 -0.470) 1.106 8.077 ( 0.293 -2.977 -0.322) 3.009 8.226 ( 2.514 2.996 -0.425) 3.934 10.068 ( -2.179 -0.028 0.190) 2.187 10.151 ( 1.395 -0.125 0.584) 1.518======================= Grid point 177 (79/160) =======================q-point: (-0.11 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.443 ( -18.749 -0.180 2.976) 18.985 0.502 ( -1.658 1.787 9.938) 10.232 0.816 ( -26.598 25.500 1.919) 36.897 1.637 ( -1.151 0.358 -1.744) 2.120 2.050 ( -1.805 -4.984 1.031) 5.400 2.384 ( -2.272 6.111 0.659) 6.552 2.678 ( 1.311 -1.961 -0.775) 2.483 2.819 ( 10.029 -0.804 0.177) 10.063 2.961 ( 0.376 -4.160 0.250) 4.185 3.133 ( 6.552 3.003 -0.186) 7.210 3.357 ( -7.350 0.072 -0.302) 7.357 3.595 ( -1.929 1.029 -1.908) 2.901 3.941 ( -0.998 -0.271 -0.618) 1.205 4.087 ( 2.726 -2.617 0.449) 3.806 4.208 ( 3.727 -1.488 -0.212) 4.019 4.522 ( -0.677 -1.094 -0.060) 1.288 4.542 ( -1.187 1.183 0.371) 1.717 4.581 ( -2.608 -8.609 -0.971) 9.047 4.735 ( -1.294 7.519 -0.674) 7.659 5.013 ( -1.847 -1.664 -0.573) 2.551 5.222 ( 1.250 -0.431 -0.698) 1.495 5.276 ( 1.045 2.992 -0.662) 3.238 7.281 ( 1.511 1.441 -0.338) 2.115 7.447 ( -2.903 -0.980 0.222) 3.072 7.537 ( -1.638 0.528 -0.139) 1.727 7.873 ( 0.263 -0.316 -0.841) 0.936 8.105 ( 0.120 -2.112 -0.101) 2.118 8.232 ( 1.673 2.417 -0.467) 2.976 10.027 ( -2.635 0.099 1.231) 2.910 10.189 ( 2.416 -0.321 -0.092) 2.439======================= Grid point 179 (80/160) =======================q-point: ( 0.11 0.11 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.668 ( 2.162 -0.000 4.684) 5.159 0.961 ( 23.509 -0.000 0.942) 23.528 1.143 ( 26.492 -0.000 0.452) 26.496 1.698 ( 3.257 -0.000 -1.607) 3.631 2.132 ( 4.554 -0.000 0.751) 4.616 2.418 ( 3.482 -0.000 0.211) 3.488 2.638 ( -14.003 0.000 -0.748) 14.023 2.662 ( -2.248 0.000 -0.673) 2.346 2.937 ( -9.839 0.000 0.609) 9.858 3.005 ( 1.432 -0.000 -0.021) 1.432 3.473 ( 5.513 -0.000 -0.158) 5.516 3.567 ( 1.748 -0.000 -0.875) 1.955 3.936 ( 0.786 -0.000 0.190) 0.809 4.094 ( -2.765 0.000 -0.522) 2.814 4.122 ( -6.443 0.000 -0.141) 6.445 4.536 ( 1.131 -0.000 0.003) 1.131 4.546 ( -0.106 0.000 0.392) 0.406 4.649 ( -1.959 0.000 -0.194) 1.969 4.687 ( 5.303 -0.000 -0.659) 5.343 5.040 ( 2.733 -0.000 -0.152) 2.738 5.202 ( -3.229 0.000 -0.017) 3.229 5.247 ( 0.237 -0.000 -1.247) 1.269 7.252 ( -1.300 0.000 -0.017) 1.300 7.496 ( 3.806 -0.000 0.554) 3.846 7.565 ( 0.977 -0.000 -0.105) 0.983 7.835 ( -0.803 0.000 -0.090) 0.808 8.120 ( 0.247 -0.000 -0.123) 0.276 8.191 ( -2.479 0.000 -0.873) 2.629 10.001 ( 0.639 -0.000 0.941) 1.137 10.233 ( -0.794 0.000 -0.361) 0.872======================= Grid point 180 (81/160) =======================q-point: ( 0.22 0.11 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.772 ( 6.415 -3.013 1.835) 7.321 1.215 ( 18.835 18.609 0.248) 26.479 1.669 ( 15.422 -20.268 0.330) 25.470 1.725 ( 4.804 -0.030 -1.696) 5.094 2.227 ( 9.369 6.052 0.313) 11.158 2.392 ( -13.781 -0.407 -0.766) 13.808 2.497 ( 0.391 -6.095 0.021) 6.108 2.620 ( -0.417 0.978 -0.562) 1.203 2.766 ( -8.655 0.613 0.552) 8.694 3.040 ( 1.275 -1.305 0.156) 1.831 3.512 ( -0.064 1.600 -0.721) 1.756 3.618 ( 3.910 -0.916 0.395) 4.035 3.954 ( 1.055 0.642 0.553) 1.353 3.987 ( -5.785 3.113 -0.246) 6.574 4.050 ( -3.276 -1.243 -0.509) 3.540 4.513 ( -1.165 3.173 0.144) 3.383 4.564 ( -0.152 -1.114 -0.028) 1.125 4.602 ( -0.897 1.728 -0.376) 1.983 4.776 ( 2.795 -2.910 -0.327) 4.049 5.080 ( 2.588 2.086 0.128) 3.326 5.144 ( -3.995 -1.760 0.064) 4.366 5.246 ( 0.587 -0.338 -1.404) 1.558 7.237 ( -0.768 -0.337 0.054) 0.840 7.548 ( 2.509 2.154 0.471) 3.340 7.593 ( 1.646 -1.968 0.139) 2.569 7.822 ( -0.573 0.243 0.351) 0.714 8.104 ( -0.555 2.760 -0.556) 2.869 8.158 ( -2.094 -2.681 -0.562) 3.448 10.019 ( 1.017 0.222 0.104) 1.046 10.216 ( -1.119 -0.049 0.424) 1.198======================= Grid point 181 (82/160) =======================q-point: ( 0.33 0.11 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.956 ( 9.292 -4.862 0.161) 10.489 1.279 ( 10.114 17.245 0.032) 19.992 1.650 ( -1.996 8.922 -1.561) 9.275 2.124 ( 4.665 -14.573 0.034) 15.302 2.205 ( -5.270 -6.320 -0.628) 8.253 2.342 ( 7.997 1.892 -0.050) 8.218 2.451 ( -4.346 0.975 0.237) 4.460 2.679 ( -2.490 -0.546 0.013) 2.549 2.708 ( 6.516 -5.034 -0.435) 8.245 3.068 ( 0.568 -0.811 0.442) 1.084 3.447 ( -3.455 4.306 -0.497) 5.543 3.695 ( 3.248 -1.195 0.700) 3.531 3.882 ( -3.056 2.053 -0.170) 3.686 3.950 ( -1.662 -0.238 -0.080) 1.681 4.019 ( -0.792 0.651 0.080) 1.028 4.449 ( -2.735 2.467 -0.170) 3.687 4.553 ( -0.561 0.967 -0.095) 1.122 4.586 ( -0.996 -0.903 -0.314) 1.381 4.832 ( 1.903 -1.271 -0.024) 2.288 5.057 ( -3.602 -0.780 0.389) 3.706 5.139 ( 1.610 0.105 -0.441) 1.673 5.259 ( 1.608 0.039 -0.907) 1.847 7.233 ( -0.047 -0.301 0.050) 0.308 7.558 ( 0.996 1.938 0.233) 2.192 7.635 ( 0.772 -1.119 0.399) 1.416 7.820 ( 0.087 -0.143 0.573) 0.597 8.056 ( -1.873 1.308 -0.984) 2.487 8.161 ( 0.454 -1.124 -0.156) 1.222 10.031 ( 1.160 0.324 -0.979) 1.552 10.202 ( -1.325 -0.194 1.427) 1.957======================= Grid point 182 (83/160) =======================q-point: (-0.56 0.11 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.096 ( 4.197 7.090 0.176) 8.241 1.313 ( 8.409 1.912 -0.876) 8.668 1.455 ( -5.279 14.790 -1.021) 15.737 2.147 ( -5.368 -6.478 0.370) 8.421 2.156 ( -7.534 -5.072 -0.729) 9.111 2.418 ( 3.208 1.589 0.005) 3.580 2.580 ( 9.004 -2.248 0.015) 9.281 2.650 ( -1.607 -0.629 -0.284) 1.749 2.841 ( 4.211 -1.671 -0.490) 4.557 3.085 ( 0.662 -0.917 0.510) 1.241 3.344 ( -2.236 3.749 -0.105) 4.367 3.759 ( 2.468 -1.449 0.258) 2.874 3.829 ( -2.161 0.876 0.064) 2.333 3.919 ( -2.639 -1.643 -0.495) 3.148 4.008 ( 1.332 1.613 0.488) 2.148 4.385 ( -3.258 -0.370 -0.302) 3.293 4.533 ( -1.191 0.093 -0.087) 1.198 4.575 ( -1.153 -1.237 -0.116) 1.695 4.875 ( 2.836 0.474 0.027) 2.875 5.012 ( -3.658 -2.468 0.442) 4.435 5.161 ( 1.726 0.286 -1.073) 2.052 5.286 ( 2.604 1.163 -0.308) 2.868 7.241 ( 0.731 -0.108 -0.010) 0.739 7.544 ( -0.951 1.714 0.333) 1.988 7.644 ( -0.497 -0.423 0.215) 0.687 7.831 ( 0.363 -0.430 0.518) 0.765 8.014 ( -1.514 -0.328 -1.073) 1.884 8.193 ( 2.803 0.257 -0.023) 2.815 10.043 ( 1.522 -0.016 -1.729) 2.303 10.188 ( -1.923 0.039 2.097) 2.845======================= Grid point 183 (84/160) =======================q-point: (-0.44 0.11 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.971 ( -5.793 12.960 0.501) 14.204 1.208 ( -2.967 18.223 0.409) 18.467 1.496 ( 8.096 -5.030 -1.959) 9.731 1.981 ( -12.064 -4.301 -0.144) 12.809 2.233 ( -1.111 -7.044 0.311) 7.138 2.415 ( 0.176 6.346 -0.034) 6.348 2.562 ( -1.337 3.649 -0.402) 3.907 2.720 ( 4.883 -0.380 0.186) 4.902 2.832 ( -1.622 6.612 0.134) 6.809 3.127 ( 2.876 0.571 0.101) 2.934 3.347 ( 1.664 -4.651 -0.447) 4.960 3.758 ( -2.474 1.026 -1.096) 2.894 3.833 ( 2.014 -1.966 0.587) 2.875 3.904 ( -0.732 -2.541 0.291) 2.661 4.039 ( 1.903 -0.353 0.100) 1.938 4.351 ( -2.370 -3.746 -0.406) 4.451 4.511 ( -2.227 -1.697 -0.141) 2.803 4.572 ( -0.745 -1.090 0.417) 1.385 4.913 ( 2.735 2.512 0.076) 3.714 4.988 ( -2.224 -2.779 0.065) 3.560 5.179 ( 1.276 -0.132 -1.238) 1.783 5.317 ( 2.973 2.104 -0.266) 3.652 7.260 ( 1.515 0.103 -0.079) 1.520 7.501 ( -2.696 0.759 0.339) 2.821 7.632 ( -1.437 0.051 0.192) 1.451 7.843 ( 0.518 -0.205 -0.034) 0.558 8.004 ( -0.158 -1.700 -0.818) 1.893 8.242 ( 3.650 1.393 -0.041) 3.907 10.062 ( 1.521 -0.529 -1.852) 2.454 10.162 ( -2.207 0.445 2.197) 3.146======================= Grid point 184 (85/160) =======================q-point: (-0.33 0.11 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.729 ( -8.110 11.692 2.966) 14.535 0.983 ( -2.892 20.195 0.444) 20.406 1.620 ( 3.587 -1.597 -1.669) 4.266 1.805 ( -13.065 3.706 0.046) 13.581 2.053 ( -10.182 10.099 0.456) 14.349 2.488 ( 5.436 -6.172 0.761) 8.260 2.559 ( 0.609 -2.839 -0.654) 2.976 2.721 ( -0.675 8.567 0.147) 8.595 2.817 ( 4.969 -0.898 0.398) 5.065 3.160 ( 3.385 3.000 -0.009) 4.523 3.399 ( -1.741 -4.052 -0.731) 4.470 3.693 ( -2.376 1.824 -1.491) 3.346 3.903 ( 1.761 -3.844 -0.314) 4.240 3.939 ( 1.339 -2.660 1.025) 3.149 4.076 ( 1.984 -2.044 -0.269) 2.861 4.375 ( -0.998 -6.815 -0.447) 6.902 4.490 ( -2.805 -3.238 -0.154) 4.287 4.572 ( -0.539 -0.235 0.847) 1.031 4.911 ( 1.048 4.262 0.150) 4.392 4.986 ( -0.907 -1.717 -0.545) 2.017 5.194 ( 1.101 -0.401 -1.050) 1.573 5.340 ( 2.573 2.581 -0.662) 3.704 7.288 ( 2.153 0.497 -0.277) 2.227 7.452 ( -3.110 -0.779 0.300) 3.220 7.597 ( -2.291 0.581 0.032) 2.363 7.855 ( 0.807 -0.324 -0.653) 1.088 8.025 ( 0.613 -2.310 -0.402) 2.424 8.280 ( 2.992 2.500 -0.126) 3.901 10.066 ( -1.198 -0.181 -0.352) 1.262 10.149 ( 0.400 -0.014 0.823) 0.915======================= Grid point 185 (86/160) =======================q-point: (-0.22 0.11 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.566 ( -3.450 6.599 6.775) 10.067 0.742 ( -0.531 23.170 1.396) 23.218 1.347 ( -17.996 27.678 0.818) 33.024 1.652 ( 0.455 1.168 -1.858) 2.241 1.944 ( -2.724 -4.473 0.712) 5.286 2.523 ( -1.901 5.559 1.108) 5.978 2.617 ( 1.248 -3.947 -0.731) 4.204 2.751 ( 5.740 -5.392 0.272) 7.880 2.905 ( 3.975 -0.716 0.433) 4.062 3.194 ( 4.051 2.851 -0.318) 4.964 3.351 ( -5.618 -0.927 -0.492) 5.715 3.630 ( -1.559 2.329 -1.948) 3.413 3.928 ( -0.377 -1.241 -0.524) 1.399 4.014 ( 2.064 -4.208 0.872) 4.767 4.150 ( 2.712 -4.272 -0.519) 5.087 4.418 ( -2.707 -8.107 -0.132) 8.548 4.483 ( -1.275 -3.317 -0.264) 3.563 4.566 ( -0.326 1.104 0.997) 1.523 4.874 ( 0.684 6.815 -0.082) 6.850 4.977 ( -1.337 -1.575 -0.752) 2.198 5.212 ( 1.107 -0.607 -0.806) 1.498 5.341 ( 1.250 3.079 -1.187) 3.529 7.314 ( 2.068 1.300 -0.878) 2.595 7.419 ( -2.362 -1.624 0.395) 2.894 7.550 ( -2.281 0.712 0.066) 2.390 7.864 ( 0.404 -0.437 -1.018) 1.179 8.057 ( 0.545 -2.421 -0.136) 2.485 8.291 ( 1.688 3.265 -0.206) 3.681 10.031 ( -2.502 0.296 0.999) 2.710 10.179 ( 2.038 -0.701 -0.219) 2.166======================= Grid point 186 (87/160) =======================q-point: (-0.11 0.11 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.555 ( 3.441 9.321 6.642) 11.951 0.582 ( 1.171 16.092 4.198) 16.672 0.820 ( -2.443 34.525 1.549) 34.646 1.633 ( 0.936 1.517 -1.856) 2.573 1.984 ( -0.118 -6.365 0.948) 6.436 2.439 ( -0.012 8.024 0.868) 8.071 2.661 ( 0.384 -3.474 -0.818) 3.590 2.881 ( 0.298 -7.350 0.760) 7.395 2.960 ( 0.905 -0.046 0.664) 1.123 3.201 ( -2.753 1.943 -1.286) 3.607 3.284 ( 1.841 1.124 0.213) 2.168 3.576 ( -0.603 2.053 -2.007) 2.934 3.928 ( 0.035 -0.294 -0.525) 0.602 4.087 ( 0.892 -4.547 0.247) 4.641 4.212 ( -0.015 -3.685 -0.528) 3.723 4.446 ( -1.574 -6.727 0.825) 6.958 4.504 ( 0.145 -2.828 -0.364) 2.855 4.556 ( 0.219 1.784 0.913) 2.016 4.803 ( -0.152 8.328 -0.032) 8.329 4.975 ( -0.147 -1.913 -0.707) 2.044 5.230 ( 0.765 -0.658 -0.705) 1.231 5.308 ( -0.360 3.452 -1.052) 3.627 7.312 ( 0.067 1.804 -1.046) 2.086 7.410 ( -0.362 -0.981 0.327) 1.095 7.524 ( 0.023 0.384 0.816) 0.903 7.862 ( -0.401 -0.435 -1.028) 1.186 8.086 ( 0.219 -2.358 -0.082) 2.370 8.275 ( 0.324 3.218 -0.366) 3.255 10.000 ( -1.639 0.143 1.333) 2.117 10.218 ( 1.729 -0.884 -0.468) 1.997======================= Grid point 189 (88/160) =======================q-point: ( 0.22 0.22 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.898 ( 9.555 -0.000 0.207) 9.557 1.617 ( -0.326 0.000 -0.104) 0.342 1.743 ( 21.482 -0.000 -0.298) 21.484 1.812 ( 7.388 -0.000 -1.184) 7.482 2.140 ( -14.012 0.000 -0.634) 14.027 2.390 ( -8.991 0.000 -0.093) 8.991 2.441 ( 7.997 -0.000 0.358) 8.005 2.667 ( 7.761 -0.000 -0.629) 7.786 2.668 ( -2.867 0.000 0.327) 2.885 3.061 ( 1.139 -0.000 0.425) 1.216 3.487 ( -3.086 0.000 -0.607) 3.145 3.684 ( 3.429 -0.000 0.920) 3.550 3.915 ( -3.878 0.000 -0.085) 3.879 3.935 ( -3.926 0.000 -0.453) 3.952 4.026 ( 1.417 -0.000 0.204) 1.432 4.477 ( -4.518 0.000 -0.105) 4.519 4.562 ( 0.227 -0.000 0.219) 0.316 4.577 ( -2.173 0.000 -0.586) 2.250 4.819 ( 3.422 -0.000 -0.047) 3.423 5.046 ( -5.370 0.000 0.333) 5.380 5.141 ( 2.360 -0.000 -0.459) 2.404 5.260 ( 2.163 -0.000 -0.891) 2.340 7.230 ( 0.072 -0.000 0.025) 0.076 7.590 ( 0.869 -0.000 -0.287) 0.915 7.612 ( 1.215 -0.000 0.976) 1.559 7.818 ( -0.257 0.000 0.456) 0.524 8.071 ( -3.442 0.000 -0.995) 3.583 8.148 ( 1.982 -0.000 -0.102) 1.985 10.034 ( 1.026 -0.000 -1.001) 1.434 10.201 ( -1.271 0.000 1.449) 1.927======================= Grid point 190 (89/160) =======================q-point: (-0.67 0.22 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.084 ( 10.106 -2.533 -0.421) 10.427 1.524 ( -0.186 11.221 -0.907) 11.259 1.775 ( 1.108 17.962 -0.596) 18.005 1.983 ( -3.976 -7.582 -0.075) 8.562 2.086 ( -4.777 -5.684 -0.561) 7.446 2.313 ( 5.557 -11.089 -0.255) 12.407 2.525 ( 4.598 0.549 0.125) 4.632 2.635 ( -2.524 -1.142 -0.230) 2.780 2.840 ( 9.950 0.890 -0.267) 9.993 3.080 ( 0.852 0.050 0.672) 1.086 3.410 ( -4.172 2.016 -0.177) 4.637 3.740 ( 2.400 -0.467 0.686) 2.540 3.844 ( -4.153 0.699 -0.760) 4.280 3.887 ( -1.629 -1.371 -0.054) 2.130 4.046 ( 0.975 1.541 0.610) 1.923 4.386 ( -5.385 0.194 -0.206) 5.392 4.524 ( -3.842 -0.694 -0.649) 3.958 4.564 ( -0.258 0.005 0.371) 0.452 4.882 ( 4.119 0.238 0.082) 4.127 4.974 ( -3.890 -1.260 0.379) 4.107 5.164 ( 1.320 0.072 -1.168) 1.764 5.303 ( 3.185 0.474 -0.152) 3.224 7.238 ( 0.763 -0.148 -0.093) 0.782 7.584 ( -0.589 2.253 0.225) 2.339 7.624 ( -0.928 -1.626 0.370) 1.909 7.823 ( 0.364 -0.327 0.283) 0.565 8.013 ( -2.410 0.053 -1.036) 2.623 8.195 ( 3.557 0.041 0.079) 3.558 10.043 ( 1.139 -0.006 -1.845) 2.168 10.188 ( -1.602 0.027 2.162) 2.691======================= Grid point 191 (90/160) =======================q-point: (-0.56 0.22 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.185 ( -0.922 6.532 0.322) 6.605 1.461 ( 6.073 3.534 -2.224) 7.369 1.584 ( -0.657 18.191 0.297) 18.205 1.920 ( -12.010 -2.170 -0.428) 12.212 2.061 ( 2.218 -8.063 0.038) 8.363 2.478 ( 2.313 0.740 -0.278) 2.444 2.601 ( -2.509 -0.489 -0.392) 2.586 2.680 ( 8.547 -6.187 -0.183) 10.553 2.923 ( 2.600 3.903 0.144) 4.691 3.109 ( 2.653 -0.628 0.319) 2.745 3.327 ( -2.879 1.383 0.040) 3.194 3.755 ( -3.441 -0.920 -1.438) 3.841 3.800 ( 1.185 -1.632 0.411) 2.059 3.882 ( -0.252 0.116 0.734) 0.785 4.046 ( 0.813 1.258 0.480) 1.573 4.304 ( -4.600 -1.433 -0.219) 4.823 4.460 ( -5.147 -3.070 -0.478) 6.012 4.563 ( -0.118 0.028 0.710) 0.720 4.942 ( -1.880 -1.572 0.232) 2.462 4.951 ( 4.615 1.139 -0.095) 4.754 5.176 ( 1.007 -0.096 -1.233) 1.595 5.348 ( 3.000 1.105 -0.134) 3.200 7.256 ( 1.282 -0.323 -0.192) 1.336 7.528 ( -3.542 1.817 0.437) 4.005 7.622 ( -1.226 -1.031 0.090) 1.605 7.836 ( 0.723 -0.374 -0.188) 0.835 7.983 ( -0.513 -0.534 -0.931) 1.189 8.261 ( 4.226 0.638 0.223) 4.280 10.054 ( 1.281 -0.331 -1.978) 2.380 10.169 ( -1.985 0.300 2.151) 2.942======================= Grid point 192 (91/160) =======================q-point: (-0.44 0.22 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.982 ( -7.672 14.109 1.117) 16.098 1.387 ( -1.628 19.087 0.412) 19.161 1.591 ( 7.593 -0.870 -1.967) 7.892 1.785 ( -5.724 -2.469 -0.356) 6.244 2.164 ( 0.487 -3.363 0.144) 3.401 2.462 ( -1.046 4.382 0.018) 4.505 2.522 ( -4.010 0.581 -0.401) 4.071 2.816 ( 5.557 0.230 0.422) 5.578 2.875 ( -1.354 6.974 0.471) 7.120 3.186 ( 3.559 -1.093 -0.290) 3.734 3.309 ( -0.911 -4.209 -0.412) 4.326 3.701 ( -2.656 -1.648 -1.836) 3.625 3.841 ( 1.301 -1.698 -0.243) 2.153 3.898 ( 0.935 -1.221 1.617) 2.231 4.055 ( 0.444 -0.176 0.048) 0.480 4.268 ( -2.472 -4.147 -0.165) 4.831 4.410 ( -4.941 -4.917 -0.209) 6.974 4.569 ( 0.142 -0.075 1.065) 1.077 4.935 ( -0.666 -1.063 -0.107) 1.259 5.004 ( 3.639 2.777 -0.292) 4.587 5.186 ( 0.838 -0.314 -1.048) 1.378 5.378 ( 2.252 1.498 -0.469) 2.745 7.285 ( 1.676 -0.627 -0.259) 1.808 7.451 ( -4.082 0.498 0.300) 4.124 7.600 ( -2.029 -0.141 0.166) 2.041 7.850 ( 0.895 -0.217 -0.913) 1.297 7.992 ( 0.854 -1.161 -0.476) 1.518 8.319 ( 3.502 1.543 0.224) 3.834 10.061 ( -0.130 -0.285 -0.917) 0.969 10.150 ( -0.674 0.146 1.038) 1.246======================= Grid point 193 (92/160) =======================q-point: (-0.33 0.22 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.748 ( -5.123 12.496 3.127) 13.862 1.172 ( -1.340 19.620 0.821) 19.682 1.668 ( 2.998 1.790 -1.682) 3.876 1.747 ( 0.939 5.816 -0.168) 5.894 1.994 ( -9.766 15.609 0.058) 18.412 2.473 ( 0.629 -7.977 1.052) 8.070 2.527 ( 0.656 -4.723 -0.709) 4.821 2.782 ( -1.088 7.020 0.437) 7.117 2.905 ( 4.684 0.219 0.618) 4.730 3.231 ( 2.567 0.668 -0.310) 2.671 3.315 ( -3.264 -2.994 -0.721) 4.487 3.667 ( -1.004 0.730 -2.072) 2.416 3.882 ( 0.624 -3.342 -0.425) 3.426 3.947 ( 1.121 -2.750 1.524) 3.338 4.076 ( 1.021 -2.572 -0.401) 2.796 4.282 ( -2.191 -5.947 0.249) 6.343 4.395 ( -2.314 -5.685 -0.233) 6.142 4.580 ( 0.244 0.282 1.234) 1.289 4.936 ( 0.086 -0.589 -0.482) 0.766 5.008 ( 1.352 4.979 -0.409) 5.176 5.199 ( 0.833 -0.655 -0.858) 1.364 5.387 ( 1.034 1.819 -0.880) 2.270 7.319 ( 1.774 -0.684 -0.526) 1.972 7.394 ( -2.934 -0.879 0.253) 3.074 7.563 ( -1.937 0.677 0.233) 2.066 7.858 ( 0.519 -0.263 -1.367) 1.485 8.020 ( 0.913 -1.464 -0.096) 1.728 8.347 ( 1.924 2.507 0.129) 3.163 10.037 ( -2.164 0.345 0.648) 2.285 10.165 ( 1.577 -0.688 -0.387) 1.764======================= Grid point 194 (93/160) =======================q-point: (-0.22 0.22 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.639 ( 0.313 7.124 5.320) 8.897 1.000 ( 1.831 20.025 1.212) 20.145 1.493 ( -0.832 34.178 0.171) 34.188 1.676 ( 0.975 3.420 -1.961) 4.061 1.874 ( -0.247 -4.892 0.597) 4.934 2.536 ( -0.268 -2.570 0.945) 2.751 2.588 ( 0.387 -3.740 -0.379) 3.779 2.745 ( -0.053 -1.765 0.317) 1.794 2.961 ( 0.698 -0.156 0.797) 1.071 3.239 ( -2.010 1.597 -1.253) 2.857 3.288 ( 1.627 -0.861 0.061) 1.842 3.624 ( -0.566 2.537 -1.996) 3.277 3.909 ( -0.038 -2.016 -0.484) 2.074 4.000 ( 0.267 -4.050 1.086) 4.201 4.123 ( -0.013 -4.818 -0.647) 4.861 4.315 ( -0.603 -6.400 0.782) 6.476 4.432 ( 0.260 -5.063 -0.378) 5.084 4.585 ( 0.233 1.018 1.122) 1.532 4.943 ( -0.022 -1.279 -0.788) 1.502 4.955 ( 0.052 7.290 -0.262) 7.295 5.215 ( 0.705 -0.851 -0.794) 1.361 5.366 ( -0.461 2.394 -1.075) 2.664 7.334 ( -0.060 0.432 -1.210) 1.287 7.381 ( -0.276 -1.922 0.622) 2.039 7.537 ( -0.024 0.944 0.463) 1.051 7.854 ( -0.364 -0.396 -1.339) 1.443 8.045 ( 0.340 -1.729 -0.037) 1.763 8.338 ( 0.149 3.133 -0.041) 3.137 10.004 ( -1.768 0.293 1.078) 2.092 10.200 ( 1.666 -0.978 -0.569) 2.014======================= Grid point 195 (94/160) =======================q-point: (-0.11 0.22 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.657 ( 2.844 3.963 5.422) 7.294 0.805 ( 0.462 21.983 0.611) 21.996 1.336 ( 18.523 27.424 0.729) 33.101 1.660 ( 1.381 0.974 -1.865) 2.517 1.950 ( 2.509 -4.713 0.657) 5.379 2.533 ( 1.514 5.335 1.019) 5.638 2.615 ( -0.646 -3.762 -0.750) 3.890 2.759 ( -5.677 -6.296 0.187) 8.480 2.927 ( -4.211 -0.274 0.286) 4.230 3.165 ( -3.260 3.160 -0.065) 4.541 3.361 ( 5.413 -1.017 -0.564) 5.537 3.587 ( 0.506 2.375 -1.530) 2.870 3.918 ( -0.280 -1.229 -0.313) 1.299 4.040 ( -1.220 -4.552 0.427) 4.732 4.143 ( -2.519 -4.298 -0.488) 5.005 4.399 ( 2.070 -6.717 0.294) 7.035 4.484 ( 1.326 -3.400 -0.213) 3.655 4.584 ( 0.528 1.405 0.779) 1.691 4.872 ( -0.746 7.348 -0.060) 7.386 4.964 ( 1.203 -1.597 -0.628) 2.096 5.226 ( 0.116 -0.717 -0.886) 1.146 5.317 ( -1.514 2.859 -0.727) 3.316 7.303 ( -1.698 1.041 -0.666) 2.100 7.416 ( 1.956 -1.413 0.477) 2.459 7.553 ( 2.033 0.568 0.261) 2.127 7.840 ( -0.924 -0.581 -0.809) 1.359 8.065 ( -0.082 -2.201 -0.203) 2.212 8.295 ( -1.398 3.207 -0.303) 3.512 9.990 ( -0.528 -0.047 1.123) 1.242 10.226 ( 0.669 -0.813 -0.524) 1.176======================= Grid point 199 (95/160) =======================q-point: (-0.67 0.33 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.224 ( 6.883 -0.000 -0.339) 6.891 1.563 ( 1.440 -0.000 -1.745) 2.262 1.725 ( -10.009 0.000 0.603) 10.027 1.902 ( -12.304 0.000 -0.282) 12.307 2.032 ( 6.630 -0.000 -0.204) 6.633 2.441 ( 12.824 -0.000 -1.114) 12.872 2.575 ( -1.531 0.000 -0.716) 1.690 2.605 ( 4.903 -0.000 0.226) 4.908 2.968 ( 3.524 -0.000 0.295) 3.536 3.111 ( 2.064 -0.000 0.539) 2.133 3.344 ( -4.566 0.000 0.107) 4.567 3.747 ( -5.393 0.000 -1.528) 5.605 3.779 ( 2.269 -0.000 0.408) 2.305 3.886 ( 0.622 -0.000 0.846) 1.050 4.067 ( 0.018 -0.000 0.677) 0.677 4.290 ( -5.416 0.000 -0.145) 5.418 4.424 ( -6.421 0.000 -0.587) 6.448 4.565 ( -0.186 0.000 0.702) 0.726 4.924 ( -1.431 0.000 0.108) 1.435 4.964 ( 5.098 -0.000 0.010) 5.098 5.175 ( 0.923 -0.000 -1.226) 1.535 5.358 ( 2.964 -0.000 -0.081) 2.965 7.252 ( 1.156 -0.000 -0.246) 1.182 7.553 ( -4.880 0.000 0.647) 4.923 7.605 ( -0.181 0.000 -0.122) 0.218 7.832 ( 0.929 -0.000 -0.266) 0.966 7.979 ( -0.682 0.000 -0.967) 1.184 8.267 ( 4.430 -0.000 0.338) 4.443 10.050 ( 1.191 -0.000 -2.032) 2.355 10.172 ( -1.902 0.000 2.133) 2.858======================= Grid point 201 (96/160) =======================q-point: (-0.56 0.33 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.226 ( -2.943 9.360 0.154) 9.813 1.565 ( 0.106 2.170 -0.054) 2.173 1.635 ( -0.626 1.642 -0.565) 1.846 1.717 ( -7.591 -3.966 -0.838) 8.605 2.131 ( 7.323 2.281 -0.061) 7.670 2.472 ( -2.670 -0.575 -0.600) 2.796 2.627 ( 3.670 6.908 -0.534) 7.840 2.769 ( 8.974 -6.342 -0.517) 11.001 2.976 ( -0.259 3.186 0.548) 3.243 3.136 ( 0.438 -1.787 0.085) 1.842 3.270 ( -4.129 -0.671 0.189) 4.187 3.661 ( -3.978 -1.369 -1.709) 4.541 3.824 ( 2.173 -0.674 0.184) 2.283 3.898 ( 0.230 0.657 1.192) 1.381 4.063 ( -0.220 0.658 0.481) 0.844 4.217 ( -3.548 -1.284 0.036) 3.773 4.325 ( -6.221 -3.072 -0.321) 6.946 4.568 ( 0.037 -0.043 1.005) 1.006 4.917 ( 0.049 -0.515 -0.257) 0.578 5.043 ( 4.587 1.063 -0.170) 4.712 5.182 ( 0.693 -0.107 -1.042) 1.256 5.397 ( 2.033 0.500 -0.342) 2.122 7.273 ( 1.246 -0.398 -0.285) 1.339 7.462 ( -5.388 0.400 0.352) 5.414 7.596 ( -1.099 -0.199 0.108) 1.123 7.847 ( 1.054 -0.095 -1.017) 1.467 7.979 ( 0.898 -0.298 -0.557) 1.098 8.339 ( 3.792 0.509 0.483) 3.857 10.057 ( 0.446 -0.137 -1.238) 1.323 10.153 ( -1.250 0.090 1.127) 1.685======================= Grid point 202 (97/160) =======================q-point: (-0.44 0.33 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.025 ( -4.435 15.615 0.901) 16.258 1.437 ( -5.848 7.767 0.925) 9.766 1.668 ( 2.481 -3.900 -0.869) 4.703 1.737 ( 2.114 -2.055 -1.080) 3.140 2.240 ( 7.390 1.931 -0.012) 7.638 2.451 ( -1.481 -2.662 -0.659) 3.116 2.500 ( -4.447 16.011 -0.387) 16.622 2.886 ( 1.208 1.073 0.718) 1.768 2.935 ( 1.574 4.655 0.472) 4.936 3.196 ( 1.241 -5.935 -0.861) 6.124 3.238 ( -2.220 -3.800 -0.057) 4.402 3.629 ( -1.271 -3.590 -1.949) 4.278 3.853 ( 0.950 0.379 -0.287) 1.062 3.908 ( 0.082 -1.127 1.743) 2.077 4.056 ( -0.163 0.078 0.029) 0.183 4.197 ( -1.800 -2.899 0.467) 3.444 4.282 ( -3.162 -5.554 -0.283) 6.398 4.579 ( 0.261 -0.210 1.219) 1.264 4.924 ( 0.288 -0.459 -0.561) 0.780 5.086 ( 2.698 2.858 -0.333) 3.944 5.189 ( 0.538 -0.392 -0.891) 1.112 5.412 ( 0.800 0.860 -0.609) 1.323 7.299 ( 1.271 -1.032 -0.203) 1.650 7.383 ( -3.890 -0.391 0.091) 3.911 7.575 ( -1.150 0.509 0.233) 1.279 7.854 ( 0.583 -0.123 -1.588) 1.696 8.001 ( 1.137 -0.590 -0.077) 1.283 8.384 ( 2.117 1.305 0.465) 2.530 10.043 ( -1.717 0.208 0.323) 1.759 10.154 ( 1.107 -0.392 -0.490) 1.272======================= Grid point 203 (98/160) =======================q-point: (-0.33 0.33 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.845 ( -0.174 14.036 2.048) 14.186 1.305 ( 0.700 11.449 0.880) 11.504 1.716 ( 1.117 1.798 -1.476) 2.580 1.782 ( 0.244 -5.407 0.049) 5.413 2.138 ( -1.278 31.002 -0.846) 31.040 2.394 ( 0.370 -8.204 0.823) 8.254 2.486 ( 0.406 -4.799 -0.712) 4.868 2.837 ( -0.153 6.618 0.566) 6.644 2.955 ( 0.272 -0.002 0.864) 0.906 3.238 ( -1.716 -2.515 -1.037) 3.216 3.252 ( 1.294 -3.113 -0.158) 3.375 3.640 ( -0.169 -2.009 -2.059) 2.881 3.861 ( -0.052 -1.501 -0.309) 1.533 3.937 ( -0.227 -2.626 1.638) 3.103 4.061 ( -0.032 -1.467 -0.305) 1.499 4.213 ( -0.338 -4.099 0.763) 4.183 4.319 ( 0.638 -6.267 -0.423) 6.314 4.593 ( 0.244 -0.057 1.212) 1.238 4.926 ( -0.080 -0.517 -0.711) 0.883 5.072 ( 0.322 4.817 -0.386) 4.844 5.199 ( 0.640 -0.763 -0.850) 1.309 5.400 ( -0.551 1.266 -0.725) 1.560 7.331 ( 0.809 -0.646 -0.719) 1.261 7.344 ( -1.268 -1.748 0.528) 2.223 7.557 ( -0.092 0.999 0.300) 1.047 7.848 ( -0.317 -0.211 -1.620) 1.664 8.021 ( 0.411 -0.840 0.026) 0.936 8.388 ( 0.049 2.098 0.317) 2.122 10.010 ( -1.965 0.288 0.820) 2.148 10.183 ( 1.831 -0.714 -0.818) 2.129======================= Grid point 204 (99/160) =======================q-point: (-0.22 0.33 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.787 ( 4.628 9.851 2.733) 11.222 1.213 ( 1.959 18.472 0.488) 18.582 1.680 ( -0.855 1.664 -1.707) 2.532 1.748 ( -1.773 7.644 -0.380) 7.856 1.972 ( 9.639 13.129 0.313) 16.290 2.467 ( -1.410 -6.947 0.602) 7.114 2.544 ( 0.404 -5.385 -0.417) 5.416 2.784 ( 1.059 7.246 0.438) 7.337 2.924 ( -4.499 -0.210 0.480) 4.529 3.207 ( -2.300 0.871 -0.226) 2.470 3.318 ( 2.912 -3.613 -0.650) 4.685 3.630 ( 0.361 1.325 -1.606) 2.113 3.873 ( -0.956 -3.040 -0.283) 3.199 3.966 ( -0.861 -3.131 1.251) 3.480 4.072 ( -0.874 -2.455 -0.397) 2.636 4.278 ( 1.896 -5.577 0.358) 5.902 4.401 ( 2.457 -5.148 -0.293) 5.712 4.601 ( 0.176 0.363 0.948) 1.030 4.927 ( 0.080 -0.786 -0.462) 0.915 5.011 ( -1.115 5.514 -0.397) 5.640 5.211 ( 0.368 -0.789 -0.951) 1.289 5.362 ( -1.670 1.833 -0.578) 2.546 7.311 ( -1.734 -0.238 -0.553) 1.836 7.388 ( 2.455 -1.423 0.493) 2.880 7.564 ( 1.632 0.541 0.264) 1.740 7.830 ( -0.968 -0.364 -1.111) 1.517 8.031 ( -0.299 -1.319 -0.211) 1.369 8.351 ( -1.807 2.586 0.065) 3.156 9.989 ( -0.881 -0.066 0.829) 1.211 10.212 ( 1.196 -0.593 -0.563) 1.449======================= Grid point 205 (100/160) =======================q-point: (-0.11 0.33 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.813 ( 5.673 8.148 1.989) 10.126 1.022 ( 1.290 19.025 0.122) 19.069 1.642 ( -2.207 -2.308 -2.002) 3.769 1.803 ( 14.182 4.374 0.150) 14.842 2.052 ( 9.729 8.238 0.448) 12.756 2.482 ( -5.081 -5.580 0.447) 7.560 2.575 ( -1.627 -3.490 -0.465) 3.879 2.728 ( 1.444 9.007 0.106) 9.123 2.839 ( -5.484 -0.532 0.167) 5.512 3.142 ( -3.026 2.737 0.168) 4.084 3.397 ( 1.692 -4.866 -0.714) 5.201 3.624 ( 2.243 2.446 -0.736) 3.400 3.886 ( -0.786 -3.234 -0.101) 3.330 3.973 ( -2.487 -2.789 0.661) 3.795 4.072 ( -1.425 -2.123 -0.226) 2.567 4.368 ( 1.559 -6.009 -0.217) 6.212 4.484 ( 2.532 -3.276 -0.246) 4.148 4.605 ( 0.317 0.604 0.489) 0.839 4.916 ( -0.996 5.050 0.053) 5.148 4.968 ( 1.220 -1.619 -0.357) 2.059 5.210 ( -0.628 -0.412 -1.036) 1.280 5.306 ( -2.021 2.215 -0.363) 3.020 7.276 ( -1.798 0.424 -0.197) 1.858 7.450 ( 2.999 -1.135 0.451) 3.238 7.596 ( 2.144 0.381 0.163) 2.184 7.815 ( -0.731 -0.624 -0.286) 1.003 8.038 ( -0.317 -2.032 -0.530) 2.123 8.284 ( -2.960 2.651 -0.212) 3.979 9.992 ( 0.308 -0.454 0.593) 0.808 10.225 ( 0.076 -0.180 -0.155) 0.249======================= Grid point 210 (101/160) =======================q-point: (-0.56 0.44 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.243 ( -2.319 0.000 -0.142) 2.324 1.483 ( -5.542 0.000 2.008) 5.894 1.566 ( -4.416 0.000 -0.753) 4.479 1.728 ( 5.640 -0.000 -1.999) 5.984 2.251 ( 4.740 -0.000 0.345) 4.752 2.423 ( -1.648 0.000 -0.663) 1.776 2.789 ( 5.680 -0.000 0.495) 5.702 2.844 ( 6.378 -0.000 -2.272) 6.771 2.987 ( -0.871 0.000 0.372) 0.947 3.080 ( -4.334 0.000 0.313) 4.345 3.198 ( -3.385 0.000 0.265) 3.395 3.591 ( -2.095 0.000 -1.681) 2.686 3.855 ( 1.510 -0.000 0.335) 1.546 3.905 ( -0.474 0.000 0.931) 1.045 4.062 ( -0.455 0.000 0.423) 0.621 4.170 ( -1.616 0.000 0.669) 1.749 4.219 ( -3.510 0.000 -0.467) 3.541 4.576 ( 0.186 -0.000 1.175) 1.190 4.920 ( 0.492 -0.000 -0.566) 0.750 5.114 ( 3.089 -0.000 -0.334) 3.107 5.185 ( 0.406 -0.000 -0.900) 0.987 5.420 ( 0.709 -0.000 -0.520) 0.879 7.288 ( 1.078 -0.000 -0.147) 1.088 7.379 ( -4.322 0.000 0.058) 4.322 7.580 ( -0.794 0.000 0.214) 0.822 7.853 ( 0.607 -0.000 -1.650) 1.758 7.995 ( 1.202 -0.000 -0.079) 1.204 8.396 ( 2.185 -0.000 0.612) 2.269 10.045 ( -1.491 0.000 0.185) 1.502 10.151 ( 0.883 -0.000 -0.517) 1.023======================= Grid point 212 (102/160) =======================q-point: (-0.44 0.44 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.133 ( -0.707 13.776 0.378) 13.799 1.436 ( 0.227 2.510 0.960) 2.697 1.595 ( 0.716 -10.276 0.111) 10.302 1.764 ( 0.231 1.008 -1.844) 2.114 2.303 ( -0.154 -1.364 0.517) 1.467 2.414 ( 0.074 -1.927 -0.688) 2.047 2.685 ( 0.912 24.777 -1.366) 24.831 2.904 ( -0.174 0.438 0.757) 0.892 3.000 ( 0.701 3.572 0.832) 3.734 3.085 ( -1.562 -14.157 -1.448) 14.317 3.185 ( -0.089 -3.090 0.305) 3.106 3.577 ( 0.254 -2.425 -1.720) 2.984 3.870 ( 0.249 0.884 -0.060) 0.920 3.901 ( -0.708 -0.760 1.298) 1.662 4.054 ( -0.355 0.324 0.215) 0.526 4.162 ( -0.612 -1.446 0.961) 1.841 4.218 ( 1.405 -3.403 -0.558) 3.724 4.589 ( 0.254 -0.219 1.181) 1.228 4.921 ( -0.051 -0.122 -0.671) 0.684 5.135 ( 0.411 1.670 -0.431) 1.773 5.188 ( 0.595 -0.311 -0.878) 1.105 5.416 ( -0.621 0.398 -0.530) 0.908 7.313 ( 1.287 -0.750 0.425) 1.549 7.326 ( -1.823 -0.351 -0.501) 1.923 7.571 ( -0.171 0.420 0.253) 0.519 7.846 ( -0.267 -0.060 -1.753) 1.774 8.011 ( 0.440 -0.229 0.059) 0.500 8.416 ( 0.003 0.724 0.577) 0.925 10.014 ( -2.122 0.117 0.665) 2.227 10.174 ( 2.009 -0.259 -0.992) 2.256======================= Grid point 213 (103/160) =======================q-point: (-0.33 0.44 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.022 ( 3.442 13.836 0.939) 14.289 1.459 ( 6.504 7.207 0.679) 9.731 1.704 ( -4.452 0.347 -1.870) 4.841 1.713 ( 1.533 -7.028 -0.028) 7.193 2.218 ( -7.513 5.013 0.074) 9.032 2.444 ( 0.076 -1.960 -0.640) 2.063 2.521 ( 6.172 13.420 -0.575) 14.782 2.892 ( -0.940 1.183 0.743) 1.684 2.946 ( -2.046 4.420 0.442) 4.891 3.164 ( -1.682 -7.018 -0.779) 7.259 3.237 ( 1.932 -3.510 0.105) 4.008 3.610 ( 1.494 -2.659 -1.685) 3.485 3.851 ( -0.679 1.046 -0.274) 1.277 3.916 ( -0.668 -2.162 1.584) 2.762 4.050 ( -0.205 -0.181 0.062) 0.280 4.196 ( 1.661 -2.919 0.499) 3.396 4.302 ( 3.859 -4.660 -0.419) 6.065 4.601 ( 0.161 -0.228 0.973) 1.012 4.915 ( -0.278 -0.416 -0.520) 0.722 5.094 ( -1.995 3.018 -0.401) 3.640 5.198 ( 0.586 -0.487 -0.983) 1.244 5.387 ( -1.680 0.843 -0.361) 1.914 7.299 ( -1.630 -0.782 -0.307) 1.834 7.366 ( 3.398 -0.767 0.380) 3.504 7.573 ( 0.726 0.351 0.244) 0.842 7.826 ( -0.910 -0.108 -1.304) 1.594 8.014 ( -0.464 -0.538 -0.221) 0.744 8.390 ( -2.096 1.406 0.397) 2.555 9.988 ( -1.241 -0.062 0.566) 1.365 10.204 ( 1.686 -0.273 -0.662) 1.832======================= Grid point 214 (104/160) =======================q-point: (-0.22 0.44 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.998 ( 6.326 10.832 1.001) 12.584 1.418 ( 0.088 19.245 0.220) 19.246 1.602 ( -6.483 -1.514 -2.183) 7.007 1.790 ( 6.395 -2.234 -0.371) 6.784 2.133 ( 0.347 -3.098 0.484) 3.155 2.448 ( 0.942 1.421 -0.172) 1.714 2.553 ( 4.076 2.677 -0.457) 4.898 2.833 ( -6.013 -0.463 0.235) 6.036 2.887 ( 1.574 7.043 0.358) 7.225 3.154 ( -3.758 -2.277 -0.054) 4.394 3.301 ( 1.135 -3.643 -0.225) 3.822 3.651 ( 2.813 -0.173 -1.156) 3.046 3.837 ( -0.431 -0.926 -0.260) 1.054 3.926 ( -1.733 -2.136 1.300) 3.042 4.049 ( -0.454 -0.435 0.108) 0.638 4.271 ( 2.913 -3.815 -0.081) 4.801 4.414 ( 4.187 -3.983 -0.358) 5.790 4.609 ( 0.102 -0.062 0.576) 0.589 4.925 ( 1.114 -1.350 -0.119) 1.754 5.014 ( -3.287 3.565 -0.307) 4.859 5.201 ( -0.091 -0.439 -1.125) 1.211 5.341 ( -2.212 1.379 -0.135) 2.610 7.275 ( -1.698 -0.472 -0.220) 1.777 7.438 ( 3.816 -0.159 0.516) 3.854 7.594 ( 1.458 -0.507 0.237) 1.562 7.807 ( -0.705 -0.235 -0.494) 0.892 8.009 ( -0.484 -1.066 -0.645) 1.337 8.327 ( -3.510 1.815 0.124) 3.953 9.983 ( 0.047 -0.439 0.303) 0.536 10.223 ( 0.638 0.009 -0.113) 0.648======================= Grid point 215 (105/160) =======================q-point: (-0.11 0.44 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.994 ( 3.132 10.503 0.179) 10.961 1.221 ( 2.397 16.702 0.510) 16.881 1.505 ( -7.276 -6.056 -2.173) 9.712 1.990 ( 12.147 -4.139 -0.189) 12.834 2.217 ( 1.684 -6.444 0.467) 6.677 2.426 ( -0.261 4.628 -0.182) 4.639 2.567 ( 1.362 4.873 -0.449) 5.080 2.736 ( -5.511 -0.294 0.010) 5.519 2.848 ( 1.247 5.989 -0.040) 6.118 3.110 ( -2.442 -0.406 0.303) 2.494 3.335 ( -1.219 -4.139 -0.312) 4.326 3.691 ( 3.281 1.741 -0.268) 3.724 3.851 ( 0.154 -1.879 -0.282) 1.906 3.920 ( -1.612 -1.955 0.809) 2.660 4.039 ( -1.530 -0.602 0.087) 1.647 4.353 ( 2.639 -3.198 -0.317) 4.159 4.497 ( 2.247 -2.235 -0.315) 3.185 4.613 ( -0.048 0.127 0.082) 0.159 4.922 ( -3.113 3.243 -0.163) 4.499 4.983 ( 3.280 -2.474 0.235) 4.115 5.185 ( -1.428 0.159 -0.930) 1.711 5.290 ( -1.750 1.540 -0.297) 2.350 7.251 ( -1.290 -0.098 -0.002) 1.293 7.495 ( 2.518 -0.027 0.424) 2.554 7.626 ( 1.180 -0.636 0.278) 1.369 7.806 ( 0.236 -0.427 0.340) 0.595 8.016 ( 0.428 -1.505 -0.934) 1.823 8.247 ( -3.686 1.808 -0.117) 4.107 9.999 ( 1.037 -0.657 -0.177) 1.240 10.223 ( -0.564 0.326 0.555) 0.856======================= Grid point 221 (106/160) =======================q-point: ( 0.56 -0.44 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.213 ( 0.791 -0.000 0.180) 0.811 1.510 ( 6.271 -0.000 1.522) 6.453 1.584 ( 5.238 -0.000 -0.659) 5.279 1.714 ( -5.157 0.000 -1.788) 5.458 2.262 ( -4.451 0.000 0.175) 4.454 2.410 ( 1.369 -0.000 -0.589) 1.490 2.808 ( -6.882 0.000 -1.898) 7.139 2.846 ( -5.657 0.000 -0.021) 5.657 2.981 ( 2.472 -0.000 0.197) 2.480 3.046 ( 3.048 -0.000 0.858) 3.167 3.198 ( 3.277 -0.000 0.261) 3.287 3.579 ( 2.533 -0.000 -1.573) 2.982 3.871 ( -0.896 0.000 -0.476) 1.014 3.892 ( -0.518 0.000 1.610) 1.691 4.052 ( -0.424 0.000 0.505) 0.659 4.167 ( 1.837 -0.000 0.485) 1.900 4.252 ( 4.395 -0.000 -0.457) 4.419 4.598 ( 0.230 -0.000 0.951) 0.979 4.911 ( -0.484 0.000 -0.526) 0.715 5.123 ( -2.270 0.000 -0.418) 2.308 5.193 ( 0.681 -0.000 -0.990) 1.201 5.395 ( -1.676 0.000 -0.277) 1.699 7.290 ( -1.514 0.000 -0.229) 1.531 7.359 ( 3.756 -0.000 0.328) 3.770 7.576 ( 0.294 -0.000 0.228) 0.372 7.825 ( -0.862 0.000 -1.358) 1.609 8.009 ( -0.521 0.000 -0.229) 0.569 8.404 ( -2.194 0.000 0.537) 2.259 9.987 ( -1.392 0.000 0.460) 1.466 10.201 ( 1.886 -0.000 -0.704) 2.013======================= Grid point 223 (107/160) =======================q-point: (-0.33 0.56 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.190 ( 1.918 7.367 0.530) 7.631 1.583 ( -7.338 1.079 -1.876) 7.650 1.646 ( 7.799 2.087 1.081) 8.145 1.730 ( 8.773 -3.487 -0.900) 9.483 2.133 ( -7.389 4.746 -0.165) 8.783 2.448 ( 2.364 -0.530 -0.450) 2.464 2.624 ( -5.151 2.430 -0.934) 5.771 2.780 ( -7.702 -4.809 -0.190) 9.082 2.988 ( 0.377 3.120 0.359) 3.164 3.101 ( 0.084 -1.167 0.545) 1.291 3.272 ( 4.250 -0.418 0.175) 4.274 3.634 ( 4.167 -0.795 -1.392) 4.465 3.841 ( -1.448 0.283 -0.566) 1.580 3.898 ( -0.740 -0.546 1.682) 1.917 4.049 ( -0.268 0.188 0.606) 0.689 4.226 ( 4.011 -1.094 0.065) 4.158 4.348 ( 5.559 -2.296 -0.592) 6.043 4.607 ( 0.169 -0.108 0.578) 0.612 4.907 ( 0.302 -0.514 -0.192) 0.627 5.060 ( -3.953 1.242 -0.316) 4.155 5.195 ( 0.134 -0.167 -1.142) 1.162 5.359 ( -2.195 0.453 0.006) 2.241 7.265 ( -1.482 -0.358 -0.252) 1.545 7.439 ( 4.945 0.113 0.629) 4.986 7.584 ( 0.289 -0.388 0.173) 0.514 7.805 ( -0.708 -0.023 -0.585) 0.919 7.996 ( -0.538 -0.303 -0.720) 0.949 8.351 ( -3.818 0.647 0.355) 3.889 9.976 ( -0.110 -0.183 0.109) 0.240 10.224 ( 0.962 0.036 -0.109) 0.969======================= Grid point 224 (108/160) =======================q-point: (-0.22 -0.44 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.159 ( 0.018 4.277 0.672) 4.330 1.432 ( -7.092 2.665 -1.733) 7.772 1.614 ( -0.021 19.294 -0.367) 19.298 1.931 ( 12.334 -2.014 -0.478) 12.506 2.057 ( -0.963 -7.581 0.176) 7.644 2.462 ( -1.017 -0.420 -0.175) 1.114 2.601 ( -0.104 -4.295 -0.527) 4.328 2.690 ( -7.357 -4.520 -0.268) 8.638 2.930 ( -3.817 4.117 0.030) 5.614 3.089 ( -1.222 0.053 0.657) 1.388 3.331 ( 3.308 1.973 0.019) 3.851 3.707 ( 4.392 0.065 -0.886) 4.480 3.825 ( -0.360 -1.197 -0.514) 1.352 3.895 ( -1.011 -0.399 1.305) 1.699 4.040 ( -0.839 0.704 0.566) 1.232 4.314 ( 4.827 -1.122 -0.240) 4.962 4.453 ( 4.086 -2.255 -0.551) 4.699 4.612 ( 0.042 -0.063 0.139) 0.159 4.939 ( 2.207 -1.550 0.068) 2.698 4.973 ( -3.802 1.646 -0.106) 4.145 5.185 ( -0.703 -0.060 -1.126) 1.329 5.314 ( -2.204 0.922 0.021) 2.389 7.244 ( -1.274 -0.438 -0.086) 1.350 7.509 ( 3.138 1.292 0.599) 3.446 7.602 ( 0.628 -1.724 0.281) 1.856 7.799 ( 0.059 -0.261 0.209) 0.339 7.996 ( 0.877 -0.557 -1.053) 1.479 8.274 ( -4.298 1.001 0.095) 4.414 9.988 ( 1.104 -0.433 -0.324) 1.230 10.229 ( -0.374 0.255 0.569) 0.727======================= Grid point 225 (109/160) =======================q-point: (-0.11 -0.44 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.082 ( -4.874 5.411 0.416) 7.294 1.267 ( -8.488 0.183 -0.351) 8.497 1.462 ( 3.950 13.619 -1.287) 14.239 2.156 ( 5.535 -5.816 0.314) 8.035 2.161 ( 7.891 -4.714 -0.726) 9.220 2.422 ( -2.933 1.465 -0.006) 3.279 2.585 ( -8.478 -2.416 -0.066) 8.816 2.651 ( 0.677 -1.191 -0.353) 1.415 2.824 ( -5.177 -2.600 -0.329) 5.802 3.084 ( -0.161 -0.329 0.542) 0.654 3.350 ( 2.918 4.385 -0.147) 5.269 3.756 ( 2.732 1.140 -0.334) 2.979 3.829 ( -1.259 -1.175 0.283) 1.745 3.913 ( 2.150 -1.211 0.101) 2.470 4.013 ( -1.447 1.228 0.396) 1.939 4.391 ( 3.457 0.021 -0.323) 3.472 4.512 ( 1.571 -0.962 -0.269) 1.862 4.610 ( -0.274 0.152 -0.226) 0.387 4.890 ( -2.682 1.381 -0.141) 3.020 5.025 ( 3.975 -2.053 0.321) 4.486 5.158 ( -1.434 0.579 -0.719) 1.705 5.272 ( -1.427 0.688 -0.470) 1.652 7.233 ( -0.508 -0.454 0.073) 0.686 7.529 ( 0.502 0.732 0.388) 0.968 7.631 ( 0.497 -1.188 0.413) 1.352 7.814 ( 0.689 -0.609 0.692) 1.150 8.021 ( 1.953 -0.189 -1.124) 2.261 8.201 ( -2.897 0.729 -0.097) 2.989 10.014 ( 1.885 -0.408 -0.889) 2.124 10.214 ( -1.641 0.325 1.281) 2.107======================= Grid point 232 (110/160) =======================q-point: (-0.33 -0.33 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.178 ( -7.124 0.000 0.341) 7.132 1.500 ( -1.776 0.000 -1.330) 2.219 1.795 ( 9.686 -0.000 -0.091) 9.686 1.915 ( 12.405 -0.000 -0.285) 12.409 2.051 ( -6.095 0.000 -0.416) 6.109 2.374 ( -14.455 0.000 -0.528) 14.465 2.527 ( 3.250 -0.000 -0.277) 3.262 2.657 ( -5.197 0.000 -0.324) 5.207 2.980 ( -4.504 0.000 0.116) 4.506 3.096 ( -1.065 0.000 0.778) 1.319 3.354 ( 4.877 -0.000 0.037) 4.877 3.707 ( 5.517 -0.000 -1.097) 5.625 3.808 ( -1.538 0.000 -0.528) 1.626 3.895 ( -0.868 0.000 1.424) 1.668 4.052 ( -0.175 0.000 0.829) 0.847 4.304 ( 5.545 -0.000 -0.201) 5.548 4.427 ( 5.183 -0.000 -0.747) 5.237 4.612 ( 0.119 -0.000 0.161) 0.200 4.923 ( 2.290 -0.000 0.118) 2.293 4.989 ( -4.621 0.000 -0.208) 4.626 5.184 ( -0.496 0.000 -1.170) 1.270 5.323 ( -2.274 0.000 0.119) 2.277 7.239 ( -1.227 0.000 -0.128) 1.234 7.530 ( 4.622 -0.000 0.881) 4.705 7.577 ( -0.759 0.000 0.079) 0.763 7.796 ( -0.143 0.000 0.139) 0.200 7.992 ( 1.077 -0.000 -1.086) 1.530 8.284 ( -4.522 0.000 0.181) 4.526 9.983 ( 1.141 -0.000 -0.383) 1.203 10.232 ( -0.313 0.000 0.569) 0.649======================= Grid point 233 (111/160) =======================q-point: (-0.22 -0.33 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.025 ( -11.927 -3.872 0.357) 12.545 1.460 ( 0.848 9.721 -0.510) 9.772 1.782 ( -4.819 19.487 -0.744) 20.087 2.011 ( 4.900 -6.000 -0.138) 7.748 2.091 ( 4.072 -7.042 -0.700) 8.164 2.288 ( -2.020 -12.392 0.062) 12.555 2.551 ( -2.771 2.494 -0.109) 3.730 2.611 ( 0.669 -2.994 -0.137) 3.071 2.830 ( -10.949 1.352 -0.111) 11.032 3.086 ( -0.575 0.207 0.587) 0.847 3.422 ( 4.279 2.104 -0.225) 4.773 3.776 ( 1.761 1.214 -0.600) 2.221 3.807 ( 2.186 -1.274 -0.149) 2.534 3.893 ( 0.461 -0.628 0.612) 0.991 4.043 ( -0.845 1.231 0.706) 1.651 4.396 ( 5.300 0.264 -0.300) 5.315 4.497 ( 2.911 -0.537 -0.493) 3.001 4.611 ( -0.143 0.053 -0.161) 0.221 4.912 ( -3.637 0.734 -0.185) 3.715 4.991 ( 4.646 -1.224 0.204) 4.809 5.165 ( -0.952 0.163 -0.931) 1.341 5.283 ( -2.219 0.350 -0.212) 2.257 7.224 ( -0.604 -0.294 0.037) 0.673 7.552 ( -0.432 1.342 0.247) 1.431 7.604 ( 1.492 -1.425 0.804) 2.214 7.803 ( 0.564 -0.360 0.485) 0.826 8.021 ( 2.969 0.068 -1.095) 3.165 8.210 ( -3.779 0.251 -0.050) 3.788 10.009 ( 2.143 -0.157 -0.871) 2.319 10.219 ( -1.753 0.136 1.225) 2.143======================= Grid point 234 (112/160) =======================q-point: (-0.11 -0.33 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.880 ( -12.326 -8.143 1.128) 14.816 1.239 ( -9.716 17.017 0.368) 19.599 1.612 ( 1.621 7.415 -1.282) 7.698 2.112 ( -5.985 -14.899 0.117) 16.056 2.232 ( 7.303 -4.770 -0.886) 8.767 2.344 ( -8.621 1.867 -0.026) 8.821 2.474 ( 4.070 2.013 0.085) 4.541 2.659 ( -0.369 -3.252 0.305) 3.287 2.684 ( -3.538 -3.232 -0.372) 4.806 3.076 ( -0.919 -0.525 0.351) 1.115 3.455 ( 3.292 3.934 -0.488) 5.153 3.765 ( -1.935 -0.709 -0.302) 2.083 3.848 ( 3.258 2.425 0.394) 4.080 3.943 ( 2.797 -0.940 -0.218) 2.959 4.020 ( -0.129 1.022 0.384) 1.100 4.456 ( 2.926 2.376 -0.286) 3.780 4.529 ( 0.988 0.134 -0.066) 0.999 4.605 ( -0.229 0.052 -0.312) 0.391 4.860 ( -1.652 -0.093 -0.286) 1.679 5.078 ( 2.772 0.259 0.189) 2.791 5.144 ( 0.391 -0.173 -0.653) 0.781 5.248 ( -1.144 -0.461 -0.740) 1.439 7.227 ( 0.361 -0.623 0.112) 0.728 7.533 ( -0.824 0.895 0.264) 1.245 7.625 ( -0.681 -1.095 0.648) 1.443 7.825 ( 0.991 -0.451 0.465) 1.184 8.059 ( 2.241 1.515 -0.956) 2.870 8.168 ( -0.625 -0.900 -0.206) 1.115 10.044 ( 2.608 0.016 -1.393) 2.957 10.188 ( -2.815 0.033 1.853) 3.370======================= Grid point 242 (113/160) =======================q-point: (-0.22 -0.22 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.789 ( -13.224 0.000 1.549) 13.315 1.554 ( 1.838 -0.000 0.061) 1.839 1.670 ( -21.843 0.000 0.426) 21.847 1.839 ( -7.326 0.000 -1.144) 7.415 2.178 ( 13.126 -0.000 -1.022) 13.165 2.392 ( 8.467 -0.000 -0.143) 8.468 2.470 ( -10.437 0.000 0.148) 10.438 2.635 ( 4.040 -0.000 0.693) 4.099 2.653 ( -6.365 0.000 -0.534) 6.387 3.072 ( -1.569 0.000 0.303) 1.598 3.491 ( 2.682 -0.000 -0.524) 2.732 3.758 ( -2.444 0.000 -0.021) 2.444 3.886 ( 5.087 -0.000 -0.187) 5.090 3.921 ( 3.751 -0.000 0.034) 3.752 4.030 ( -1.640 0.000 0.466) 1.705 4.481 ( 4.215 -0.000 -0.139) 4.217 4.531 ( 1.785 -0.000 -0.191) 1.795 4.605 ( -0.563 0.000 -0.264) 0.622 4.860 ( -2.596 0.000 -0.454) 2.635 5.077 ( 5.726 -0.000 0.012) 5.726 5.144 ( -1.105 0.000 -0.572) 1.244 5.244 ( -2.108 0.000 -0.744) 2.235 7.220 ( 0.221 -0.000 0.118) 0.250 7.546 ( -0.524 0.000 0.073) 0.529 7.611 ( -1.085 0.000 0.983) 1.464 7.820 ( 1.346 -0.000 0.363) 1.394 8.076 ( 3.918 -0.000 -0.954) 4.032 8.157 ( -2.325 0.000 -0.189) 2.333 10.044 ( 2.805 -0.000 -1.333) 3.106 10.188 ( -2.969 0.000 1.800) 3.472======================= Grid point 243 (114/160) =======================q-point: (-0.11 -0.22 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.622 ( -11.151 -5.275 3.994) 12.966 1.164 ( -19.999 17.216 0.797) 26.400 1.611 ( -8.065 -11.749 0.363) 14.255 1.733 ( -10.538 -7.711 -1.337) 13.126 2.224 ( -10.416 6.330 0.347) 12.194 2.401 ( 12.995 -0.249 -0.788) 13.021 2.486 ( -1.895 -7.475 0.036) 7.711 2.614 ( 1.789 2.142 -0.552) 2.845 2.766 ( 9.500 0.858 0.616) 9.559 3.046 ( -1.669 -1.391 0.108) 2.176 3.503 ( -0.254 1.225 -0.574) 1.376 3.707 ( -3.429 -0.643 -0.554) 3.533 3.952 ( 4.364 2.221 0.324) 4.908 3.984 ( 0.834 2.204 -0.024) 2.356 4.033 ( 3.786 -1.878 -0.187) 4.230 4.518 ( 1.118 1.698 0.250) 2.049 4.555 ( 1.474 2.075 -0.016) 2.545 4.596 ( -0.235 -0.722 -0.427) 0.871 4.822 ( -1.901 -1.163 -0.988) 2.438 5.101 ( -1.907 2.544 -0.123) 3.182 5.174 ( 3.789 -0.864 -0.564) 3.927 5.220 ( 0.057 -1.705 -0.917) 1.937 7.234 ( 1.040 -0.570 0.075) 1.188 7.533 ( -0.714 1.792 0.110) 1.932 7.587 ( -2.458 -1.834 0.495) 3.106 7.847 ( 1.478 0.100 0.014) 1.481 8.103 ( 0.699 3.021 -0.536) 3.147 8.160 ( 2.011 -2.767 -0.494) 3.456 10.079 ( 2.025 0.201 -1.677) 2.637 10.149 ( -2.681 -0.139 2.276) 3.520======================= Grid point 252 (115/160) =======================q-point: (-0.11 -0.11 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.486 ( -5.988 0.000 8.268) 10.209 0.886 ( -24.399 0.000 1.760) 24.463 1.143 ( -27.582 0.000 0.858) 27.595 1.671 ( -1.343 0.000 -1.610) 2.096 2.126 ( -5.137 0.000 0.813) 5.201 2.399 ( -3.390 0.000 0.373) 3.411 2.622 ( 13.059 -0.000 -0.576) 13.072 2.660 ( 2.482 -0.000 -0.691) 2.576 2.959 ( 10.467 -0.000 0.413) 10.475 3.004 ( -1.677 0.000 -0.048) 1.678 3.465 ( -4.549 0.000 -0.364) 4.563 3.642 ( -2.943 0.000 -1.368) 3.246 3.966 ( -1.231 0.000 -0.231) 1.253 4.045 ( 3.418 -0.000 0.210) 3.425 4.126 ( 6.460 -0.000 -0.170) 6.463 4.531 ( -0.226 0.000 0.688) 0.724 4.565 ( -1.537 0.000 -0.427) 1.595 4.619 ( 2.690 -0.000 -0.015) 2.690 4.760 ( -3.426 0.000 -2.408) 4.187 5.069 ( -2.924 0.000 -0.469) 2.961 5.209 ( 0.907 -0.000 -0.955) 1.318 5.230 ( 2.821 -0.000 -0.281) 2.835 7.251 ( 1.359 -0.000 -0.019) 1.359 7.513 ( -4.085 0.000 0.420) 4.106 7.549 ( 0.118 -0.000 -0.591) 0.603 7.868 ( 0.995 -0.000 -0.501) 1.114 8.119 ( -0.276 0.000 -0.124) 0.303 8.184 ( 2.759 -0.000 -0.698) 2.846 10.068 ( -2.531 0.000 0.403) 2.562 10.152 ( 1.757 -0.000 0.489) 1.823======================= Grid point 253 (116/160) =======================q-point: ( 0.00 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.326 ( 0.042 -0.000 1.807) 1.807 0.388 ( 0.566 -0.000 1.896) 1.979 0.717 ( -0.098 0.000 3.582) 3.583 1.587 ( 0.478 -0.000 -0.868) 0.991 2.089 ( -0.126 0.000 0.565) 0.579 2.346 ( 0.062 -0.000 0.260) 0.267 2.683 ( 0.238 -0.000 -0.389) 0.456 2.953 ( 0.844 -0.000 0.429) 0.947 2.991 ( 0.005 -0.000 0.251) 0.251 3.158 ( -1.572 0.000 -0.593) 1.680 3.272 ( 0.773 -0.000 0.147) 0.787 3.522 ( -0.234 0.000 -0.904) 0.934 3.921 ( 0.023 -0.000 -0.233) 0.234 4.133 ( 0.409 -0.000 -0.159) 0.439 4.246 ( -0.017 0.000 -0.040) 0.044 4.509 ( -0.155 0.000 0.164) 0.226 4.544 ( 0.011 -0.000 0.302) 0.302 4.582 ( -0.769 0.000 0.010) 0.769 4.681 ( 0.242 -0.000 0.066) 0.250 4.988 ( -0.109 0.000 -0.311) 0.329 5.230 ( 0.433 -0.000 -0.250) 0.500 5.256 ( -0.192 0.000 -0.129) 0.231 7.285 ( 0.063 -0.000 -0.042) 0.076 7.420 ( -0.230 0.000 0.025) 0.231 7.539 ( 0.075 -0.000 0.472) 0.478 7.852 ( -0.194 0.000 -0.418) 0.461 8.116 ( 0.033 -0.000 -0.015) 0.037 8.226 ( 0.202 -0.000 -0.257) 0.327 10.023 ( -0.825 0.000 0.717) 1.093 10.217 ( 0.851 -0.000 -0.341) 0.917======================= Grid point 254 (117/160) =======================q-point: ( 0.11 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.540 ( 15.913 0.152 -0.423) 15.919 0.718 ( -0.804 0.007 1.323) 1.548 0.841 ( 25.799 -24.363 0.645) 35.491 1.617 ( 2.968 -0.225 -1.066) 3.162 2.071 ( 1.245 5.208 0.336) 5.365 2.402 ( 2.289 -6.387 0.079) 6.785 2.667 ( -0.797 2.136 -0.454) 2.325 2.842 ( -10.876 1.029 -0.585) 10.940 2.969 ( -0.975 3.830 0.077) 3.952 3.107 ( -5.130 -3.199 0.695) 6.085 3.359 ( 6.975 -0.024 -0.246) 6.979 3.536 ( 1.409 -0.925 -0.013) 1.686 3.924 ( 0.518 0.148 -0.019) 0.539 4.108 ( -1.566 2.413 -0.556) 2.930 4.203 ( -3.692 1.850 -0.001) 4.130 4.510 ( 0.566 1.901 0.428) 2.029 4.548 ( 1.250 2.325 0.076) 2.641 4.571 ( 1.694 2.798 0.173) 3.275 4.724 ( -0.132 -7.570 0.030) 7.571 4.994 ( 1.668 1.486 0.046) 2.234 5.223 ( -0.370 0.801 -0.626) 1.082 5.257 ( -1.218 -2.275 0.061) 2.581 7.277 ( -1.217 -0.651 -0.077) 1.382 7.443 ( 2.650 0.499 0.326) 2.717 7.549 ( 0.930 -0.228 -0.016) 0.957 7.844 ( -0.418 0.383 0.133) 0.582 8.105 ( -0.040 2.045 -0.113) 2.048 8.227 ( -1.358 -2.505 -0.359) 2.872 10.020 ( -0.287 0.094 1.320) 1.354 10.219 ( 0.270 0.358 -1.146) 1.231======================= Grid point 255 (118/160) =======================q-point: ( 0.22 0.00 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.738 ( 3.646 -1.670 -0.422) 4.033 0.808 ( 14.060 -0.568 -0.951) 14.103 1.508 ( 24.907 -22.398 0.226) 33.497 1.648 ( 1.505 1.703 -1.334) 2.636 2.062 ( 4.178 5.535 0.058) 6.935 2.526 ( 2.980 -7.596 0.075) 8.160 2.589 ( -7.248 2.051 -0.383) 7.542 2.642 ( -7.255 1.798 -0.441) 7.488 2.876 ( -5.248 3.906 0.067) 6.542 3.078 ( -2.772 -4.354 0.325) 5.171 3.450 ( 4.018 2.029 -0.438) 4.522 3.585 ( 2.755 -1.738 1.061) 3.425 3.934 ( 0.871 1.157 0.401) 1.503 4.030 ( -3.707 3.425 -0.645) 5.088 4.112 ( -4.104 1.627 -0.078) 4.416 4.484 ( 0.093 5.211 0.402) 5.227 4.542 ( 1.743 3.706 -0.072) 4.096 4.586 ( 0.524 -1.234 -0.309) 1.375 4.799 ( 0.361 -6.607 0.180) 6.619 5.013 ( 2.691 2.511 0.318) 3.695 5.199 ( -1.265 0.460 -0.654) 1.497 5.255 ( -1.895 -2.770 0.082) 3.357 7.261 ( -1.384 -0.844 0.039) 1.621 7.486 ( 3.081 1.723 0.248) 3.539 7.579 ( 1.818 -1.384 -0.152) 2.290 7.833 ( -0.444 0.655 0.555) 0.967 8.076 ( -0.367 2.862 -0.303) 2.901 8.221 ( -2.475 -3.196 -0.261) 4.050 10.023 ( -0.252 0.409 1.359) 1.441 10.213 ( 0.394 0.146 -1.221) 1.291======================= Grid point 256 (119/160) =======================q-point: ( 0.33 0.00 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.855 ( 6.888 -3.582 -0.814) 7.806 1.014 ( 9.550 -2.284 -0.635) 9.840 1.595 ( -2.649 6.129 -1.391) 6.820 2.063 ( 19.583 -5.575 0.003) 20.361 2.129 ( 7.392 -6.513 -0.090) 9.852 2.383 ( -10.365 0.885 0.077) 10.403 2.540 ( -4.487 2.106 -0.039) 4.957 2.684 ( 3.991 -8.643 -0.499) 9.533 2.752 ( -5.652 0.795 -0.074) 5.709 3.086 ( -0.783 -2.550 0.270) 2.681 3.436 ( -1.204 5.076 -0.221) 5.221 3.668 ( 3.500 -1.777 1.401) 4.168 3.900 ( -2.341 3.609 -0.171) 4.305 3.958 ( -1.080 1.177 0.020) 1.598 4.049 ( -2.346 0.323 -0.246) 2.380 4.431 ( -0.090 5.155 0.008) 5.156 4.537 ( 0.913 2.053 0.084) 2.248 4.598 ( -0.145 -0.811 -0.435) 0.931 4.850 ( -0.606 -3.937 0.144) 3.986 5.038 ( 2.999 2.700 0.288) 4.046 5.165 ( -2.136 -0.293 -0.382) 2.189 5.251 ( -1.339 -2.208 -0.012) 2.582 7.248 ( -1.055 -0.570 0.088) 1.202 7.515 ( 2.237 1.419 -0.030) 2.649 7.625 ( 1.806 -1.051 0.034) 2.089 7.827 ( 0.004 0.382 0.684) 0.783 8.040 ( -0.378 2.634 -0.437) 2.697 8.201 ( -2.773 -2.501 -0.105) 3.736 10.018 ( -0.378 0.663 0.695) 1.032 10.218 ( 0.619 -0.268 -0.520) 0.852======================= Grid point 257 (120/160) =======================q-point: ( 0.44 0.00 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.970 ( 3.649 -0.034 -0.080) 3.650 1.205 ( 7.688 -9.379 -0.686) 12.146 1.425 ( -6.668 10.734 -0.732) 12.658 2.212 ( 7.605 2.772 -0.103) 8.095 2.249 ( -3.874 0.176 0.063) 3.879 2.393 ( -0.035 0.239 -0.025) 0.243 2.489 ( 1.937 -8.542 -0.040) 8.759 2.675 ( -2.230 0.866 -0.115) 2.395 2.815 ( 2.320 -5.125 -0.528) 5.651 3.096 ( -0.202 -0.842 0.249) 0.902 3.341 ( -2.406 4.582 0.103) 5.176 3.742 ( 2.418 -1.322 1.016) 2.937 3.846 ( -1.298 1.040 -0.470) 1.728 3.938 ( 0.310 1.149 -0.090) 1.193 4.007 ( -2.101 0.358 -0.008) 2.131 4.400 ( 0.444 1.785 -0.138) 1.844 4.534 ( 0.358 0.936 0.226) 1.028 4.594 ( -0.523 -0.444 -0.442) 0.817 4.861 ( -0.674 -1.323 0.058) 1.485 5.064 ( 1.778 1.244 0.175) 2.177 5.134 ( -1.436 -0.554 -0.306) 1.570 5.251 ( -0.235 -0.745 -0.125) 0.791 7.239 ( -0.367 -0.121 0.057) 0.390 7.534 ( 0.941 0.532 0.037) 1.082 7.648 ( 0.367 0.028 0.073) 0.376 7.836 ( 0.520 -0.072 0.541) 0.754 8.014 ( -0.064 1.173 -0.501) 1.277 8.181 ( -1.354 -1.043 -0.035) 1.710 10.012 ( 0.162 0.382 -0.123) 0.433 10.226 ( -0.071 -0.233 0.309) 0.393======================= Grid point 258 (121/160) =======================q-point: (-0.44 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.967 ( -4.067 0.741 0.230) 4.140 1.190 ( -7.907 10.354 0.627) 13.043 1.422 ( 6.540 -9.825 -0.447) 11.812 2.211 ( -7.742 -2.885 -0.029) 8.262 2.253 ( 4.261 -0.374 -0.252) 4.285 2.391 ( -0.530 -0.334 0.096) 0.634 2.490 ( -1.777 8.140 -0.043) 8.332 2.673 ( 2.125 -0.787 -0.008) 2.266 2.807 ( -2.472 5.812 0.157) 6.317 3.098 ( 0.233 0.833 0.113) 0.872 3.346 ( 2.705 -4.816 -0.339) 5.534 3.763 ( -1.151 0.776 -0.882) 1.645 3.833 ( 0.872 -0.828 0.655) 1.369 3.937 ( -0.305 -1.010 -0.152) 1.066 4.006 ( 1.892 -0.512 0.159) 1.966 4.401 ( -0.319 -1.988 -0.239) 2.028 4.535 ( -0.094 -0.169 0.273) 0.334 4.590 ( -0.067 -0.409 -0.199) 0.460 4.863 ( 0.635 0.806 -0.121) 1.033 5.064 ( -2.045 -1.660 0.205) 2.642 5.136 ( 1.729 0.452 -0.517) 1.860 5.254 ( 0.907 1.142 -0.298) 1.488 7.239 ( 0.500 0.303 0.020) 0.585 7.532 ( -1.024 0.002 0.261) 1.057 7.647 ( -0.374 0.257 0.153) 0.479 7.841 ( -0.049 0.256 0.074) 0.271 8.013 ( 0.210 -1.319 -0.418) 1.400 8.181 ( 1.353 0.843 -0.091) 1.597 10.019 ( 1.076 -0.218 -0.768) 1.339 10.219 ( -1.289 0.124 0.958) 1.611======================= Grid point 259 (122/160) =======================q-point: (-0.33 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.822 ( -8.407 5.428 2.137) 10.233 0.994 ( -9.922 2.327 1.022) 10.242 1.580 ( 3.223 -5.548 -0.074) 6.417 2.062 ( -19.702 5.495 0.103) 20.454 2.125 ( -7.444 6.752 0.308) 10.054 2.387 ( 10.277 -1.139 -0.291) 10.344 2.543 ( 4.201 -2.523 -0.273) 4.908 2.672 ( -3.667 9.075 0.527) 9.802 2.749 ( 5.449 -1.107 0.208) 5.564 3.090 ( 0.827 2.628 -0.042) 2.756 3.438 ( 1.103 -4.698 -0.388) 4.841 3.702 ( -3.212 1.489 -1.649) 3.905 3.894 ( 3.278 -3.463 0.406) 4.785 3.956 ( 0.397 -1.659 0.164) 1.714 4.046 ( 2.450 -0.137 0.003) 2.454 4.434 ( 0.279 -5.367 -0.283) 5.382 4.537 ( -0.646 -1.407 0.198) 1.561 4.591 ( -0.243 0.100 0.070) 0.272 4.855 ( 0.478 3.344 -0.300) 3.391 5.044 ( -2.744 -2.906 -0.172) 4.000 5.163 ( 1.748 -0.063 -0.314) 1.777 5.258 ( 2.136 2.779 -0.556) 3.549 7.249 ( 1.218 0.738 -0.059) 1.426 7.511 ( -2.088 -1.117 0.339) 2.392 7.624 ( -1.849 1.138 0.170) 2.178 7.840 ( 0.345 -0.178 -0.472) 0.611 8.037 ( 0.434 -2.782 -0.202) 2.823 8.202 ( 2.764 2.407 -0.169) 3.669 10.040 ( 1.448 -0.610 -1.288) 2.032 10.196 ( -1.914 0.322 1.565) 2.493======================= Grid point 260 (123/160) =======================q-point: (-0.22 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.683 ( -4.430 3.110 4.612) 7.112 0.777 ( -15.540 0.301 1.687) 15.634 1.505 ( -24.647 22.346 0.601) 33.274 1.636 ( -0.774 -1.293 -0.417) 1.564 2.057 ( -4.325 -5.580 0.426) 7.073 2.518 ( -3.418 7.933 0.706) 8.667 2.589 ( 8.048 -2.222 -0.355) 8.357 2.637 ( 6.658 -1.561 -0.036) 6.838 2.875 ( 4.921 -4.488 0.188) 6.663 3.084 ( 3.110 4.494 -0.204) 5.469 3.445 ( -3.807 -1.847 -0.017) 4.231 3.620 ( -3.051 1.609 -1.960) 3.967 3.944 ( -1.061 -1.312 -0.597) 1.790 4.014 ( 3.685 -3.299 0.844) 5.018 4.112 ( 4.518 -1.588 -0.118) 4.790 4.494 ( 0.278 -5.384 -0.444) 5.409 4.543 ( -1.543 -3.760 -0.030) 4.065 4.577 ( -0.749 1.174 0.333) 1.432 4.807 ( -0.573 6.000 -0.483) 6.047 5.023 ( -2.678 -2.677 -0.509) 3.820 5.190 ( 1.225 -0.527 0.024) 1.334 5.265 ( 2.339 3.202 -0.714) 4.029 7.263 ( 1.502 1.066 -0.155) 1.848 7.486 ( -2.908 -1.940 0.176) 3.500 7.575 ( -1.926 1.641 0.136) 2.534 7.848 ( 0.517 -0.560 -0.788) 1.096 8.073 ( 0.443 -3.012 -0.025) 3.044 8.220 ( 2.516 3.225 -0.167) 4.093 10.052 ( 0.157 -0.360 -1.272) 1.331 10.180 ( -0.586 -0.052 1.753) 1.849======================= Grid point 261 (124/160) =======================q-point: (-0.11 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.507 ( -16.688 -0.912 2.562) 16.908 0.670 ( -0.469 1.177 5.469) 5.614 0.846 ( -24.955 24.017 0.556) 34.639 1.611 ( -1.942 0.280 -0.563) 2.042 2.069 ( -1.461 -5.259 0.564) 5.487 2.397 ( -2.231 6.433 0.491) 6.827 2.665 ( 1.074 -2.034 -0.296) 2.319 2.828 ( 10.764 -0.734 0.602) 10.806 2.967 ( 0.740 -3.963 0.230) 4.038 3.123 ( 5.721 2.948 -0.707) 6.475 3.355 ( -7.178 -0.034 0.110) 7.179 3.555 ( -1.855 0.996 -1.616) 2.654 3.929 ( -0.810 -0.178 -0.421) 0.930 4.097 ( 2.171 -2.388 0.477) 3.263 4.204 ( 3.689 -1.748 -0.132) 4.084 4.517 ( -0.876 -1.235 -0.294) 1.542 4.549 ( -0.949 -0.259 0.100) 0.989 4.572 ( -1.895 -6.241 -0.071) 6.523 4.726 ( -0.243 7.854 -0.214) 7.860 5.000 ( -1.860 -1.571 -0.537) 2.493 5.215 ( 0.944 -0.613 0.081) 1.129 5.263 ( 1.095 2.325 -0.494) 2.617 7.277 ( 1.247 0.827 -0.098) 1.499 7.448 ( -2.880 -0.690 -0.104) 2.963 7.543 ( -0.889 0.378 0.461) 1.070 7.854 ( 0.171 -0.365 -0.781) 0.879 8.104 ( 0.137 -2.157 0.014) 2.161 8.225 ( 1.596 2.586 -0.144) 3.042 10.039 ( -1.071 -0.041 -0.230) 1.097 10.197 ( 0.974 -0.340 0.815) 1.315======================= Grid point 263 (125/160) =======================q-point: ( 0.11 0.11 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.713 ( 1.045 -0.000 -0.616) 1.213 0.962 ( 23.198 -0.000 -0.834) 23.213 1.152 ( 26.422 -0.000 0.403) 26.425 1.665 ( 2.973 -0.000 -1.357) 3.268 2.143 ( 4.399 -0.000 0.231) 4.405 2.418 ( 3.228 -0.000 -0.269) 3.239 2.623 ( -13.959 0.000 -0.579) 13.971 2.650 ( -2.198 0.000 -0.374) 2.230 2.951 ( -9.913 0.000 0.644) 9.934 3.005 ( 1.456 -0.000 -0.009) 1.456 3.468 ( 4.994 -0.000 -0.365) 5.007 3.568 ( 2.653 -0.000 1.032) 2.846 3.942 ( 1.343 -0.000 0.463) 1.420 4.077 ( -2.894 0.000 -0.929) 3.039 4.121 ( -6.507 0.000 0.016) 6.507 4.541 ( 1.217 -0.000 0.421) 1.288 4.550 ( -0.167 0.000 -0.036) 0.171 4.640 ( -2.138 0.000 -0.668) 2.240 4.690 ( 4.592 -0.000 0.792) 4.659 5.043 ( 2.943 -0.000 0.418) 2.972 5.207 ( -3.148 0.000 0.503) 3.188 5.219 ( -0.219 0.000 -1.217) 1.237 7.252 ( -1.211 0.000 -0.026) 1.211 7.509 ( 4.096 -0.000 0.536) 4.131 7.559 ( 0.692 -0.000 -0.452) 0.827 7.840 ( -0.525 0.000 0.532) 0.748 8.118 ( 0.199 -0.000 -0.081) 0.215 8.176 ( -2.691 0.000 -0.466) 2.732 10.027 ( -0.137 0.000 1.385) 1.391 10.215 ( 0.125 -0.000 -1.281) 1.287======================= Grid point 264 (126/160) =======================q-point: ( 0.22 0.11 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.776 ( 5.863 -3.029 -1.476) 6.763 1.210 ( 19.140 18.473 -0.709) 26.610 1.661 ( 8.168 -11.217 -1.256) 13.933 1.699 ( 11.663 -8.800 -0.275) 14.613 2.232 ( 9.331 6.402 0.087) 11.317 2.381 ( -13.646 -0.773 -0.190) 13.670 2.496 ( 0.531 -6.516 -0.153) 6.539 2.608 ( -0.624 1.065 -0.396) 1.296 2.775 ( -8.844 1.038 0.290) 8.909 3.044 ( 1.520 -1.426 0.181) 2.092 3.498 ( -0.055 1.495 -0.493) 1.575 3.643 ( 4.090 -0.724 1.692) 4.484 3.967 ( 0.874 0.839 0.610) 1.357 3.979 ( -5.400 3.265 -0.552) 6.334 4.037 ( -3.528 -1.758 -0.547) 3.980 4.517 ( -1.550 3.093 0.160) 3.463 4.568 ( -0.028 -0.576 0.473) 0.746 4.587 ( -0.873 1.364 -0.932) 1.869 4.780 ( 2.694 -2.802 0.597) 3.933 5.086 ( 2.414 1.990 0.366) 3.150 5.150 ( -4.074 -1.197 0.457) 4.270 5.219 ( 0.641 -0.853 -0.975) 1.445 7.237 ( -0.761 -0.380 -0.027) 0.851 7.551 ( 1.802 2.114 -0.269) 2.791 7.595 ( 2.519 -1.947 0.110) 3.186 7.832 ( -0.571 0.173 0.545) 0.808 8.094 ( -1.130 2.945 -0.281) 3.167 8.150 ( -1.676 -2.837 -0.145) 3.299 10.028 ( -0.477 0.260 0.706) 0.891 10.214 ( 0.489 -0.092 -0.565) 0.753======================= Grid point 265 (127/160) =======================q-point: ( 0.33 0.11 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.944 ( 9.353 -5.442 -1.159) 10.883 1.272 ( 9.837 17.409 -0.696) 20.008 1.617 ( -1.388 8.580 -1.362) 8.798 2.122 ( 5.319 -14.907 -0.201) 15.828 2.200 ( -6.683 -5.978 0.194) 8.969 2.342 ( 8.229 1.840 0.012) 8.432 2.460 ( -4.024 1.302 0.513) 4.261 2.677 ( -2.782 -0.485 -0.178) 2.830 2.694 ( 6.513 -5.053 -0.779) 8.281 3.077 ( 0.835 -0.768 0.335) 1.183 3.441 ( -3.147 4.067 -0.041) 5.142 3.719 ( 2.756 -0.779 1.419) 3.196 3.874 ( -2.929 2.012 -0.527) 3.592 3.944 ( -2.771 -0.660 -0.356) 2.871 4.022 ( 0.238 0.892 0.192) 0.943 4.446 ( -2.937 2.578 -0.009) 3.908 4.551 ( -0.832 0.750 -0.375) 1.181 4.581 ( -0.541 -0.693 0.168) 0.895 4.838 ( 1.856 -1.040 0.479) 2.181 5.068 ( -3.427 -0.670 0.561) 3.537 5.129 ( 0.615 0.048 -0.325) 0.697 5.244 ( 2.134 -0.053 -0.445) 2.181 7.233 ( -0.134 -0.404 -0.089) 0.434 7.556 ( 1.101 1.496 -0.440) 1.908 7.640 ( 0.829 -0.793 0.075) 1.149 7.830 ( -0.079 -0.402 0.309) 0.513 8.041 ( -2.206 1.399 -0.346) 2.635 8.160 ( 0.648 -1.049 0.076) 1.235 10.018 ( -0.330 0.250 -0.232) 0.475 10.223 ( 0.191 -0.132 0.391) 0.455======================= Grid point 266 (128/160) =======================q-point: (-0.56 0.11 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.097 ( 4.585 6.715 -0.121) 8.131 1.285 ( 7.690 0.739 -1.380) 7.848 1.443 ( -4.447 15.082 -0.199) 15.725 2.145 ( -8.289 -4.802 -0.233) 9.582 2.155 ( -4.401 -6.775 0.321) 8.086 2.420 ( 2.845 1.662 0.125) 3.297 2.581 ( 8.776 -2.360 0.064) 9.088 2.645 ( -1.505 -0.906 -0.159) 1.764 2.830 ( 4.731 -1.696 -0.506) 5.051 3.093 ( 0.501 -0.590 0.206) 0.801 3.343 ( -2.297 3.886 0.093) 4.515 3.764 ( 0.572 -0.629 -0.029) 0.850 3.827 ( -1.340 -0.049 -0.075) 1.343 3.912 ( -1.879 -1.400 -0.076) 2.345 4.017 ( 1.253 1.738 0.256) 2.158 4.381 ( -3.344 -0.194 -0.048) 3.350 4.527 ( -1.648 -0.753 -0.508) 1.881 4.580 ( -0.303 -0.391 0.662) 0.826 4.878 ( 2.704 0.713 0.271) 2.809 5.022 ( -3.897 -2.415 0.429) 4.605 5.143 ( 1.297 0.204 -0.504) 1.406 5.279 ( 2.765 1.266 -0.420) 3.070 7.239 ( 0.622 -0.265 -0.147) 0.692 7.546 ( -0.664 1.443 -0.158) 1.597 7.645 ( -0.518 -0.503 -0.111) 0.731 7.837 ( -0.106 -0.674 -0.075) 0.686 7.998 ( -1.656 -0.271 -0.345) 1.713 8.194 ( 2.886 0.464 0.129) 2.926 10.015 ( 0.473 -0.192 -0.933) 1.063 10.222 ( -0.899 0.139 1.055) 1.393======================= Grid point 267 (129/160) =======================q-point: (-0.44 0.11 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.983 ( -4.283 12.199 0.565) 12.941 1.218 ( -3.208 17.532 0.520) 17.830 1.465 ( 7.767 -5.737 -0.752) 9.686 1.980 ( -12.071 -4.509 0.075) 12.886 2.235 ( -0.961 -6.930 -0.126) 6.997 2.418 ( 0.539 5.761 0.226) 5.790 2.555 ( -1.714 3.885 -0.181) 4.250 2.726 ( 5.103 -0.226 0.332) 5.119 2.837 ( -1.018 6.358 0.329) 6.447 3.126 ( 2.597 0.236 -0.244) 2.619 3.338 ( 1.288 -4.036 -0.389) 4.254 3.728 ( -2.930 0.767 -1.579) 3.415 3.842 ( 0.951 -2.165 0.222) 2.375 3.917 ( 0.561 -1.877 0.737) 2.093 4.040 ( 1.639 -0.093 0.036) 1.642 4.345 ( -2.436 -3.507 -0.109) 4.272 4.505 ( -2.389 -2.252 -0.410) 3.308 4.587 ( -0.045 -0.324 0.922) 0.978 4.915 ( 2.945 2.711 0.116) 4.004 4.989 ( -3.006 -2.712 -0.007) 4.049 5.161 ( 1.165 -0.152 -0.303) 1.214 5.306 ( 2.812 2.173 -0.677) 3.618 7.257 ( 1.366 -0.032 -0.196) 1.380 7.505 ( -2.619 0.615 0.058) 2.691 7.634 ( -1.390 -0.126 -0.001) 1.395 7.835 ( -0.183 -0.377 -0.648) 0.771 7.993 ( 0.001 -1.782 -0.160) 1.789 8.242 ( 3.697 1.728 0.062) 4.081 10.027 ( 1.189 -0.691 -1.402) 1.964 10.203 ( -1.856 0.394 1.518) 2.430======================= Grid point 268 (130/160) =======================q-point: (-0.33 0.11 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.792 ( -5.703 9.119 2.651) 11.077 1.000 ( -2.743 19.355 0.980) 19.573 1.596 ( 3.279 -2.195 -0.431) 3.969 1.806 ( -13.317 3.522 0.018) 13.775 2.060 ( -9.970 9.513 0.169) 13.782 2.500 ( 6.361 -6.014 0.148) 8.756 2.551 ( 0.448 -3.172 0.052) 3.204 2.724 ( -0.885 9.032 0.188) 9.077 2.828 ( 4.986 -0.617 0.554) 5.055 3.156 ( 3.224 2.847 -0.311) 4.312 3.387 ( -1.724 -4.289 -0.349) 4.636 3.656 ( -2.698 1.744 -1.821) 3.693 3.895 ( 1.117 -3.684 -0.413) 3.872 3.963 ( 1.927 -2.136 1.037) 3.058 4.071 ( 1.669 -1.936 -0.163) 2.562 4.368 ( -0.938 -6.488 -0.218) 6.559 4.486 ( -2.721 -3.330 -0.242) 4.307 4.592 ( -0.124 0.367 0.917) 0.996 4.913 ( 1.149 4.801 0.098) 4.938 4.974 ( -1.519 -2.028 -0.529) 2.589 5.181 ( 0.995 -0.468 -0.082) 1.103 5.322 ( 2.303 2.657 -0.869) 3.622 7.281 ( 1.786 0.473 -0.332) 1.877 7.457 ( -3.052 -0.900 0.155) 3.185 7.598 ( -2.330 0.704 0.078) 2.436 7.836 ( 0.337 -0.636 -0.975) 1.212 8.021 ( 0.791 -2.304 0.049) 2.437 8.279 ( 3.040 2.828 -0.008) 4.152 10.043 ( 0.673 -0.621 -1.455) 1.719 10.180 ( -1.328 0.043 1.684) 2.145======================= Grid point 269 (131/160) =======================q-point: (-0.22 0.11 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.687 ( -1.479 4.327 4.151) 6.176 0.779 ( -0.468 20.929 1.769) 21.009 1.357 ( -18.113 26.882 0.028) 32.415 1.622 ( -0.066 0.952 -0.689) 1.177 1.957 ( -2.523 -4.805 0.399) 5.442 2.546 ( -1.990 6.397 0.886) 6.758 2.601 ( 1.154 -4.171 -0.578) 4.366 2.757 ( 6.364 -5.896 0.261) 8.680 2.916 ( 4.221 -0.456 0.579) 4.285 3.183 ( 3.284 2.835 -0.651) 4.387 3.346 ( -5.343 -1.174 0.005) 5.471 3.589 ( -1.529 2.355 -1.609) 3.236 3.918 ( -0.286 -1.184 -0.367) 1.272 4.032 ( 1.784 -3.649 0.705) 4.123 4.141 ( 2.478 -4.430 -0.316) 5.086 4.415 ( -1.578 -7.520 -0.211) 7.686 4.479 ( -1.496 -3.265 -0.107) 3.593 4.585 ( -0.198 1.442 0.710) 1.619 4.872 ( 0.642 7.055 -0.084) 7.085 4.962 ( -1.467 -1.793 -0.540) 2.379 5.202 ( 0.830 -0.721 -0.060) 1.102 5.320 ( 1.102 3.010 -0.761) 3.294 7.299 ( 1.402 1.098 -0.468) 1.841 7.426 ( -2.187 -1.483 0.167) 2.648 7.554 ( -1.779 0.706 0.248) 1.930 7.843 ( 0.228 -0.731 -0.890) 1.174 8.056 ( 0.565 -2.356 0.080) 2.424 8.288 ( 1.667 3.524 -0.057) 3.899 10.038 ( -0.791 -0.078 -0.432) 0.904 10.185 ( 0.474 -0.766 0.822) 1.219======================= Grid point 270 (132/160) =======================q-point: (-0.11 0.11 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.610 ( 1.951 21.824 1.119) 21.939 0.702 ( 0.113 0.056 3.680) 3.682 0.838 ( -1.270 33.112 0.166) 33.137 1.601 ( 0.456 1.489 -0.872) 1.785 2.000 ( -0.054 -6.684 0.415) 6.698 2.454 ( -0.017 8.426 0.425) 8.437 2.646 ( 0.183 -3.516 -0.406) 3.544 2.894 ( 0.103 -7.584 0.340) 7.592 2.972 ( 0.505 0.143 0.357) 0.634 3.180 ( -1.096 1.959 -0.593) 2.322 3.287 ( 0.610 0.959 0.081) 1.140 3.543 ( -0.266 2.056 -0.897) 2.259 3.919 ( 0.019 -0.271 -0.226) 0.354 4.090 ( 0.320 -3.823 0.036) 3.836 4.205 ( -0.048 -4.020 -0.149) 4.023 4.462 ( -0.719 -7.049 0.569) 7.108 4.495 ( 0.260 -2.395 -0.377) 2.438 4.570 ( 0.090 1.874 0.382) 1.915 4.802 ( -0.038 8.123 -0.032) 8.123 4.963 ( -0.079 -2.013 -0.313) 2.039 5.219 ( 0.343 -0.777 -0.284) 0.896 5.295 ( -0.157 3.000 -0.303) 3.019 7.298 ( 0.019 1.124 -0.273) 1.156 7.415 ( -0.163 -0.663 0.120) 0.694 7.538 ( 0.044 0.058 0.381) 0.388 7.845 ( -0.188 -0.616 -0.459) 0.791 8.084 ( 0.099 -2.355 -0.035) 2.357 8.268 ( 0.129 3.465 -0.171) 3.472 10.023 ( -0.847 -0.021 0.676) 1.084 10.209 ( 0.838 -0.846 -0.323) 1.234======================= Grid point 273 (133/160) =======================q-point: ( 0.22 0.22 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.881 ( 9.565 -0.000 -1.660) 9.708 1.602 ( -1.272 0.000 -1.325) 1.837 1.724 ( 21.471 -0.000 -1.387) 21.516 1.799 ( 8.103 -0.000 0.108) 8.104 2.137 ( -13.713 0.000 0.358) 13.718 2.388 ( -8.731 0.000 -0.050) 8.731 2.453 ( 8.080 -0.000 0.694) 8.110 2.654 ( 7.856 -0.000 -0.532) 7.874 2.667 ( -3.531 0.000 -0.389) 3.553 3.070 ( 1.482 -0.000 0.378) 1.530 3.478 ( -2.726 0.000 -0.147) 2.730 3.713 ( 3.013 -0.000 1.607) 3.415 3.916 ( -3.690 0.000 0.121) 3.692 3.916 ( -4.821 0.000 -1.160) 4.958 4.032 ( 2.123 -0.000 0.288) 2.142 4.475 ( -4.650 0.000 -0.018) 4.650 4.559 ( -2.071 0.000 -1.015) 2.306 4.574 ( 0.225 -0.000 0.797) 0.828 4.827 ( 3.302 -0.000 0.710) 3.378 5.058 ( -5.473 0.000 0.680) 5.515 5.130 ( 1.298 -0.000 -0.355) 1.346 5.245 ( 3.037 -0.000 -0.520) 3.082 7.228 ( -0.016 0.000 -0.159) 0.160 7.576 ( 1.009 -0.000 -0.916) 1.363 7.628 ( 1.276 -0.000 0.415) 1.341 7.825 ( -0.496 0.000 0.184) 0.529 8.057 ( -3.677 0.000 -0.294) 3.689 8.148 ( 2.123 -0.000 0.124) 2.126 10.021 ( -0.527 0.000 -0.277) 0.595 10.221 ( 0.297 -0.000 0.423) 0.517======================= Grid point 274 (134/160) =======================q-point: ( 0.33 0.22 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.065 ( 10.590 -3.011 -1.165) 11.072 1.496 ( -0.996 10.880 -1.596) 11.042 1.767 ( 2.923 18.570 -0.097) 18.799 1.987 ( -4.685 -7.325 0.465) 8.707 2.078 ( -3.903 -6.098 -0.154) 7.242 2.303 ( 4.162 -11.627 -0.559) 12.362 2.533 ( 4.161 1.093 0.603) 4.344 2.625 ( -2.657 -1.438 -0.664) 3.093 2.834 ( 10.578 1.104 -0.225) 10.638 3.092 ( 0.900 0.127 0.384) 0.987 3.410 ( -3.932 1.982 0.173) 4.407 3.756 ( 1.273 0.048 0.749) 1.478 3.822 ( -4.728 -0.493 -1.124) 4.885 3.892 ( -0.379 -0.549 0.445) 0.802 4.056 ( 1.100 1.559 0.230) 1.921 4.384 ( -5.419 0.241 0.043) 5.425 4.508 ( -3.646 -0.840 -0.766) 3.819 4.579 ( -0.094 0.117 0.957) 0.969 4.890 ( 3.837 0.395 0.565) 3.898 4.983 ( -4.212 -1.321 0.462) 4.438 5.145 ( 0.959 0.047 -0.511) 1.088 5.297 ( 3.374 0.520 -0.430) 3.441 7.233 ( 0.655 -0.220 -0.271) 0.742 7.579 ( 0.324 1.650 -0.622) 1.793 7.628 ( -1.501 -1.110 -0.056) 1.867 7.823 ( -0.008 -0.488 -0.224) 0.537 7.998 ( -2.694 0.084 -0.298) 2.712 8.200 ( 3.746 0.136 0.301) 3.761 10.012 ( 0.084 -0.076 -1.041) 1.047 10.224 ( -0.652 0.062 1.114) 1.292======================= Grid point 275 (135/160) =======================q-point: (-0.56 0.22 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.186 ( -0.281 5.521 -0.263) 5.534 1.420 ( 6.256 3.593 -1.404) 7.350 1.592 ( -0.233 18.894 0.499) 18.902 1.915 ( -12.276 -2.344 -0.006) 12.497 2.062 ( 1.971 -8.333 0.014) 8.563 2.471 ( 1.824 0.139 -0.368) 1.866 2.594 ( -1.961 -1.151 -0.209) 2.283 2.677 ( 8.363 -6.441 0.004) 10.556 2.927 ( 3.336 4.181 0.207) 5.353 3.110 ( 1.959 -0.111 -0.160) 1.969 3.329 ( -2.941 1.677 0.109) 3.387 3.723 ( -4.190 -0.867 -1.445) 4.516 3.807 ( 0.878 -1.581 0.291) 1.832 3.902 ( 0.650 0.180 0.887) 1.114 4.053 ( 0.750 1.459 0.105) 1.644 4.302 ( -4.629 -1.264 0.079) 4.799 4.451 ( -4.731 -3.055 -0.393) 5.645 4.584 ( 0.041 0.016 1.116) 1.117 4.943 ( -1.321 -1.485 -0.094) 1.990 4.956 ( 3.244 1.142 0.480) 3.472 5.158 ( 0.909 -0.104 -0.332) 0.973 5.338 ( 2.901 1.169 -0.686) 3.202 7.251 ( 1.215 -0.434 -0.298) 1.324 7.531 ( -3.267 1.849 -0.164) 3.757 7.620 ( -1.055 -1.311 -0.290) 1.707 7.826 ( 0.024 -0.467 -0.721) 0.860 7.971 ( -0.449 -0.612 -0.188) 0.782 8.267 ( 4.350 0.900 0.330) 4.454 10.015 ( 0.949 -0.449 -1.514) 1.843 10.209 ( -1.792 0.270 1.486) 2.344======================= Grid point 276 (136/160) =======================q-point: (-0.44 0.22 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.004 ( -6.675 12.379 0.797) 14.087 1.403 ( -1.084 19.815 0.887) 19.864 1.559 ( 7.502 -1.327 -0.869) 7.668 1.780 ( -5.942 -2.853 -0.073) 6.592 2.161 ( 0.138 -3.465 -0.421) 3.494 2.459 ( -0.442 1.890 -0.339) 1.971 2.522 ( -4.389 2.121 0.437) 4.895 2.825 ( 5.985 -0.016 0.405) 5.999 2.886 ( -1.371 6.928 0.433) 7.075 3.175 ( 3.535 -1.647 -0.678) 3.959 3.302 ( -1.217 -3.318 -0.246) 3.542 3.662 ( -2.942 -1.455 -1.599) 3.651 3.836 ( 0.979 -1.473 -0.193) 1.779 3.930 ( 1.346 -1.185 1.205) 2.161 4.055 ( 0.218 0.147 -0.077) 0.274 4.267 ( -2.313 -3.904 0.027) 4.538 4.407 ( -4.625 -4.774 -0.073) 6.647 4.594 ( 0.227 -0.068 1.102) 1.127 4.930 ( -1.186 -1.395 -0.268) 1.850 5.002 ( 3.429 3.188 0.060) 4.682 5.173 ( 0.709 -0.360 -0.173) 0.814 5.363 ( 2.156 1.623 -0.856) 2.831 7.278 ( 1.596 -0.607 -0.308) 1.735 7.454 ( -4.025 0.387 -0.071) 4.044 7.602 ( -1.834 -0.231 -0.013) 1.849 7.826 ( 0.307 -0.392 -1.153) 1.256 7.988 ( 1.101 -1.216 0.082) 1.642 8.324 ( 3.577 1.897 0.238) 4.056 10.030 ( 1.153 -0.607 -1.630) 2.087 10.182 ( -2.017 0.139 1.593) 2.574======================= Grid point 277 (137/160) =======================q-point: (-0.33 0.22 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.807 ( -4.189 9.418 2.061) 10.512 1.195 ( -1.128 19.401 1.156) 19.468 1.642 ( 2.732 1.404 -0.601) 3.130 1.743 ( 1.018 6.475 -0.115) 6.556 1.991 ( -9.892 14.010 -0.348) 17.154 2.495 ( 1.502 -8.614 0.503) 8.759 2.512 ( -0.116 -4.475 -0.189) 4.481 2.790 ( -1.062 7.442 0.221) 7.521 2.918 ( 4.875 0.212 0.615) 4.919 3.219 ( 2.063 0.626 -0.644) 2.250 3.305 ( -2.955 -3.112 -0.156) 4.294 3.626 ( -1.001 0.717 -1.498) 1.939 3.873 ( 0.682 -3.117 -0.299) 3.205 3.975 ( 1.024 -2.314 0.967) 2.709 4.069 ( 0.794 -2.283 -0.254) 2.430 4.286 ( -1.432 -5.738 0.076) 5.915 4.393 ( -2.563 -5.575 0.003) 6.136 4.603 ( 0.215 0.385 0.852) 0.960 4.926 ( -0.396 -0.869 -0.416) 1.042 5.002 ( 1.375 5.297 -0.124) 5.474 5.188 ( 0.574 -0.739 -0.162) 0.949 5.368 ( 1.061 2.048 -0.765) 2.430 7.308 ( 1.453 -0.262 -0.442) 1.541 7.399 ( -2.706 -1.174 0.119) 2.952 7.568 ( -1.726 0.658 0.150) 1.853 7.830 ( 0.313 -0.561 -1.084) 1.260 8.020 ( 0.958 -1.405 0.155) 1.708 8.350 ( 1.944 2.847 0.116) 3.450 10.036 ( -0.182 -0.103 -0.760) 0.788 10.171 ( -0.350 -0.721 0.849) 1.167======================= Grid point 278 (138/160) =======================q-point: (-0.22 0.22 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.724 ( 0.125 4.051 2.260) 4.640 1.021 ( 0.814 19.593 0.630) 19.620 1.495 ( -0.408 33.791 -0.001) 33.793 1.643 ( 0.443 3.143 -0.912) 3.303 1.883 ( -0.092 -5.265 0.232) 5.270 2.555 ( -0.409 -4.148 0.688) 4.224 2.579 ( 0.453 -2.016 -0.435) 2.112 2.750 ( -0.025 -1.976 0.132) 1.980 2.975 ( 0.359 -0.131 0.383) 0.541 3.218 ( -0.696 1.633 -0.573) 1.866 3.289 ( 0.489 -0.912 0.024) 1.035 3.591 ( -0.250 2.550 -0.867) 2.704 3.902 ( -0.015 -1.933 -0.197) 1.943 4.016 ( 0.115 -3.351 0.436) 3.381 4.114 ( -0.040 -4.734 -0.234) 4.740 4.328 ( -0.247 -6.516 0.344) 6.530 4.426 ( 0.132 -5.061 -0.166) 5.066 4.602 ( 0.107 1.170 0.447) 1.257 4.930 ( -0.039 -1.281 -0.344) 1.327 4.951 ( 0.046 7.150 -0.124) 7.151 5.202 ( 0.314 -0.925 -0.339) 1.034 5.350 ( -0.206 2.561 -0.376) 2.596 7.316 ( -0.039 0.557 -0.431) 0.705 7.391 ( -0.110 -1.766 0.266) 1.789 7.545 ( -0.002 0.706 0.218) 0.739 7.832 ( -0.171 -0.688 -0.586) 0.920 8.045 ( 0.151 -1.671 -0.013) 1.678 8.337 ( 0.061 3.443 -0.028) 3.444 10.023 ( -0.926 0.061 0.572) 1.090 10.189 ( 0.872 -1.151 -0.359) 1.489======================= Grid point 279 (139/160) =======================q-point: (-0.11 0.22 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.727 ( 1.290 2.891 0.719) 3.246 0.805 ( 0.332 20.985 -0.612) 20.997 1.350 ( 18.337 26.812 0.592) 32.488 1.627 ( 0.989 0.850 -1.062) 1.682 1.959 ( 2.441 -4.908 0.182) 5.485 2.551 ( 1.680 6.327 0.481) 6.564 2.600 ( -0.758 -4.133 -0.505) 4.232 2.760 ( -6.301 -6.300 -0.047) 8.910 2.926 ( -4.389 -0.243 -0.290) 4.406 3.170 ( -2.889 2.950 0.473) 4.156 3.350 ( 5.265 -1.216 -0.410) 5.419 3.570 ( 1.045 2.401 0.070) 2.619 3.914 ( 0.055 -1.191 -0.001) 1.192 4.042 ( -1.413 -3.708 -0.216) 3.974 4.138 ( -2.417 -4.454 -0.028) 5.068 4.408 ( 1.294 -6.991 0.437) 7.123 4.479 ( 1.472 -3.338 -0.143) 3.651 4.593 ( 0.333 1.532 0.012) 1.568 4.871 ( -0.654 7.250 -0.025) 7.280 4.956 ( 1.390 -1.791 -0.032) 2.267 5.209 ( -0.261 -0.793 -0.631) 1.047 5.310 ( -1.301 2.882 0.099) 3.164 7.295 ( -1.323 0.940 -0.087) 1.626 7.425 ( 2.038 -1.352 0.252) 2.459 7.557 ( 1.695 0.560 0.044) 1.786 7.832 ( -0.470 -0.791 0.088) 0.924 8.060 ( -0.357 -2.261 -0.228) 2.301 8.289 ( -1.545 3.511 -0.185) 3.841 10.017 ( -0.528 -0.226 1.297) 1.419 10.208 ( 0.705 -0.764 -1.099) 1.513======================= Grid point 283 (140/160) =======================q-point: (-0.67 0.33 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.210 ( 7.594 -0.000 -0.867) 7.643 1.521 ( 0.994 -0.000 -1.961) 2.198 1.748 ( -9.475 0.000 1.387) 9.576 1.902 ( -12.619 0.000 0.223) 12.621 2.032 ( 6.615 -0.000 0.248) 6.619 2.410 ( 13.572 -0.000 -1.673) 13.675 2.553 ( -2.587 0.000 -1.162) 2.836 2.618 ( 4.841 -0.000 0.983) 4.940 2.976 ( 4.140 -0.000 0.352) 4.155 3.117 ( 1.700 -0.000 -0.001) 1.700 3.349 ( -4.505 0.000 0.244) 4.512 3.715 ( -5.514 0.000 -1.347) 5.676 3.788 ( 1.840 -0.000 0.389) 1.881 3.906 ( 0.958 -0.000 0.851) 1.282 4.075 ( 0.115 -0.000 0.052) 0.126 4.290 ( -5.373 0.000 0.170) 5.376 4.415 ( -6.024 0.000 -0.262) 6.030 4.585 ( -0.072 0.000 1.078) 1.081 4.926 ( -1.928 0.000 0.026) 1.928 4.969 ( 4.700 -0.000 0.450) 4.721 5.157 ( 0.830 -0.000 -0.346) 0.899 5.350 ( 2.886 -0.000 -0.681) 2.965 7.246 ( 1.117 -0.000 -0.345) 1.169 7.559 ( -4.921 0.000 -0.120) 4.922 7.597 ( 0.382 -0.000 -0.562) 0.680 7.821 ( 0.298 -0.000 -0.719) 0.779 7.966 ( -0.681 0.000 -0.220) 0.715 8.276 ( 4.585 -0.000 0.451) 4.608 10.011 ( 0.851 -0.000 -1.562) 1.779 10.212 ( -1.765 0.000 1.476) 2.301======================= Grid point 285 (141/160) =======================q-point: (-0.56 0.33 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.222 ( -2.486 8.311 -0.522) 8.690 1.556 ( 6.295 2.511 -0.583) 6.802 1.640 ( -5.957 1.770 0.845) 6.272 1.706 ( -8.384 -3.941 -0.152) 9.265 2.131 ( 7.523 2.887 -0.002) 8.058 2.456 ( -2.601 -0.562 -0.740) 2.762 2.617 ( 4.028 5.335 -0.426) 6.698 2.762 ( 8.583 -6.771 0.043) 10.933 2.987 ( -0.305 3.245 0.420) 3.287 3.132 ( 0.125 -1.015 -0.481) 1.130 3.274 ( -4.118 -0.482 0.140) 4.149 3.628 ( -4.074 -1.155 -1.204) 4.403 3.826 ( 1.945 -0.288 0.107) 1.969 3.921 ( 0.406 0.141 0.791) 0.901 4.068 ( -0.213 0.829 -0.032) 0.857 4.220 ( -3.351 -1.109 0.199) 3.535 4.323 ( -6.016 -3.042 0.213) 6.745 4.592 ( 0.112 -0.091 1.081) 1.090 4.911 ( -0.341 -0.547 -0.319) 0.719 5.044 ( 4.180 1.117 0.221) 4.332 5.168 ( 0.553 -0.122 -0.230) 0.612 5.384 ( 2.023 0.548 -0.830) 2.254 7.266 ( 1.318 -0.412 -0.286) 1.411 7.463 ( -5.373 0.382 -0.225) 5.392 7.595 ( -0.707 -0.301 -0.170) 0.787 7.821 ( 0.379 -0.116 -1.181) 1.245 7.973 ( 1.214 -0.343 0.061) 1.262 8.349 ( 3.881 0.667 0.436) 3.962 10.022 ( 1.400 -0.253 -1.734) 2.243 10.184 ( -2.382 0.076 1.530) 2.832======================= Grid point 286 (142/160) =======================q-point: (-0.44 0.33 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.039 ( -3.916 13.969 0.361) 14.512 1.457 ( -6.274 7.689 0.801) 9.957 1.656 ( 4.296 -1.309 -0.041) 4.491 1.719 ( 0.584 -4.724 -0.547) 4.791 2.235 ( 7.722 3.442 -0.418) 8.465 2.438 ( -1.008 -2.957 -0.473) 3.160 2.498 ( -5.475 14.193 0.193) 15.213 2.899 ( 1.344 0.704 0.421) 1.574 2.944 ( 2.034 4.526 0.380) 4.977 3.174 ( 0.694 -6.346 -1.012) 6.464 3.239 ( -1.998 -2.981 0.090) 3.590 3.594 ( -1.412 -3.078 -1.133) 3.571 3.848 ( 0.867 0.584 -0.170) 1.059 3.938 ( 0.225 -1.567 0.862) 1.802 4.055 ( -0.256 0.455 -0.107) 0.533 4.205 ( -1.067 -2.658 0.227) 2.873 4.281 ( -3.680 -5.484 0.229) 6.608 4.603 ( 0.236 -0.241 0.887) 0.949 4.912 ( 0.066 -0.455 -0.438) 0.635 5.082 ( 2.381 2.892 -0.019) 3.746 5.176 ( 0.297 -0.441 -0.236) 0.582 5.397 ( 0.959 0.994 -0.694) 1.546 7.294 ( 1.427 -0.844 -0.200) 1.670 7.382 ( -3.878 -0.560 -0.140) 3.921 7.579 ( -0.975 0.447 0.069) 1.075 7.822 ( 0.340 -0.245 -1.201) 1.272 8.002 ( 1.237 -0.577 0.191) 1.378 8.393 ( 2.154 1.567 0.310) 2.682 10.034 ( 0.519 -0.104 -1.055) 1.181 10.160 ( -1.173 -0.382 0.891) 1.522======================= Grid point 287 (143/160) =======================q-point: (-0.33 0.33 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.879 ( -0.074 11.959 0.923) 11.995 1.320 ( 0.299 11.153 0.434) 11.165 1.691 ( 0.496 2.660 -0.670) 2.788 1.783 ( 0.162 -6.452 0.002) 6.454 2.124 ( -0.583 30.685 -0.368) 30.693 2.411 ( -0.010 -8.973 0.633) 8.996 2.470 ( 0.324 -4.535 -0.608) 4.587 2.847 ( -0.062 6.770 0.248) 6.775 2.969 ( 0.158 0.057 0.381) 0.417 3.217 ( -0.427 -2.791 -0.607) 2.888 3.253 ( 0.202 -2.822 0.083) 2.830 3.607 ( -0.066 -1.914 -0.864) 2.101 3.856 ( -0.019 -1.407 -0.135) 1.414 3.964 ( -0.117 -2.412 0.707) 2.516 4.056 ( -0.025 -1.125 -0.137) 1.134 4.226 ( -0.158 -3.894 0.367) 3.914 4.312 ( 0.308 -6.391 -0.201) 6.401 4.612 ( 0.113 -0.028 0.500) 0.513 4.914 ( -0.042 -0.465 -0.330) 0.571 5.066 ( 0.144 4.753 -0.176) 4.758 5.185 ( 0.285 -0.810 -0.377) 0.938 5.389 ( -0.248 1.477 -0.296) 1.527 7.318 ( 0.080 -0.269 -0.352) 0.450 7.354 ( -0.279 -1.957 0.282) 1.996 7.562 ( -0.043 0.927 0.140) 0.939 7.821 ( -0.140 -0.408 -0.723) 0.842 8.022 ( 0.179 -0.798 0.013) 0.818 8.394 ( 0.020 2.397 0.138) 2.402 10.025 ( -1.058 0.112 0.472) 1.164 10.168 ( 0.999 -0.924 -0.467) 1.439======================= Grid point 288 (144/160) =======================q-point: (-0.22 0.33 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.824 ( 3.987 8.309 0.540) 9.232 1.214 ( 1.365 18.894 -0.446) 18.948 1.648 ( -1.869 1.370 -1.089) 2.561 1.743 ( -1.230 7.351 -0.094) 7.453 1.981 ( 9.817 12.879 0.512) 16.202 2.483 ( -1.814 -7.049 0.878) 7.331 2.529 ( 0.544 -5.896 -0.968) 5.999 2.790 ( 1.060 7.544 0.147) 7.619 2.927 ( -4.807 0.018 -0.165) 4.810 3.208 ( -1.884 0.634 0.329) 2.015 3.307 ( 2.744 -3.314 -0.324) 4.315 3.610 ( 0.731 1.022 -0.084) 1.259 3.870 ( -0.803 -3.007 0.012) 3.112 3.983 ( -0.927 -2.492 0.237) 2.670 4.067 ( -0.744 -2.230 -0.059) 2.351 4.285 ( 1.340 -5.581 0.196) 5.743 4.395 ( 2.582 -5.347 -0.227) 5.942 4.612 ( -0.021 0.431 0.028) 0.432 4.921 ( 0.432 -0.920 -0.033) 1.017 5.003 ( -1.233 5.493 -0.226) 5.634 5.193 ( -0.030 -0.810 -0.620) 1.020 5.358 ( -1.372 2.022 0.191) 2.451 7.304 ( -1.415 -0.120 -0.078) 1.422 7.397 ( 2.464 -1.384 0.299) 2.842 7.568 ( 1.599 0.567 0.105) 1.700 7.818 ( -0.520 -0.596 -0.009) 0.791 8.025 ( -0.689 -1.347 -0.286) 1.539 8.352 ( -1.896 2.890 -0.038) 3.457 10.012 ( -1.008 -0.274 1.263) 1.639 10.193 ( 1.421 -0.673 -1.117) 1.928======================= Grid point 289 (145/160) =======================q-point: (-0.11 0.33 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.829 ( 4.594 7.774 -0.568) 9.048 1.018 ( 2.078 18.808 -0.567) 18.930 1.605 ( -2.556 -2.478 -1.232) 3.767 1.806 ( 13.766 3.780 0.051) 14.276 2.059 ( 9.762 8.687 0.218) 13.069 2.493 ( -5.687 -5.545 0.580) 7.964 2.562 ( -1.412 -3.672 -0.740) 4.003 2.728 ( 1.239 9.204 -0.110) 9.287 2.837 ( -5.227 -0.440 -0.307) 5.255 3.148 ( -3.063 2.712 0.393) 4.110 3.386 ( 1.679 -4.648 -0.290) 4.950 3.625 ( 2.662 2.069 0.839) 3.475 3.888 ( -0.865 -3.470 0.218) 3.583 3.978 ( -2.254 -2.130 -0.278) 3.114 4.070 ( -1.412 -1.984 -0.032) 2.435 4.366 ( 1.158 -6.160 -0.006) 6.268 4.482 ( 2.495 -3.288 0.055) 4.128 4.606 ( 0.116 0.631 -0.375) 0.743 4.915 ( -1.172 5.203 -0.097) 5.334 4.966 ( 1.710 -2.042 0.197) 2.671 5.189 ( -0.696 -0.539 -0.800) 1.189 5.307 ( -2.188 2.513 0.444) 3.361 7.275 ( -1.630 0.418 0.124) 1.687 7.457 ( 2.989 -1.069 0.198) 3.180 7.599 ( 2.222 0.570 0.049) 2.295 7.819 ( -0.294 -0.769 0.579) 1.006 8.027 ( -0.665 -2.185 -0.463) 2.331 8.280 ( -3.027 2.908 -0.143) 4.200 10.012 ( -0.534 -0.674 1.288) 1.549 10.211 ( 1.017 -0.077 -1.107) 1.505======================= Grid point 294 (146/160) =======================q-point: (-0.56 0.44 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.235 ( -1.863 0.000 -0.563) 1.946 1.518 ( -6.522 0.000 1.015) 6.601 1.561 ( -3.733 0.000 0.364) 3.750 1.693 ( 5.686 -0.000 -1.087) 5.789 2.258 ( 4.941 -0.000 0.321) 4.952 2.408 ( -1.581 0.000 -0.586) 1.686 2.800 ( 6.363 -0.000 -1.614) 6.565 2.807 ( 5.430 -0.000 1.188) 5.559 2.992 ( -1.503 0.000 0.022) 1.503 3.080 ( -3.741 0.000 -0.376) 3.760 3.202 ( -3.327 0.000 0.132) 3.330 3.561 ( -2.214 0.000 -0.927) 2.400 3.858 ( 1.520 -0.000 0.062) 1.521 3.923 ( -0.466 0.000 0.463) 0.657 4.067 ( -0.299 0.000 -0.008) 0.299 4.180 ( -0.807 0.000 0.098) 0.813 4.219 ( -4.318 0.000 0.587) 4.357 4.600 ( 0.165 -0.000 0.881) 0.896 4.908 ( 0.301 -0.000 -0.431) 0.526 5.110 ( 2.712 -0.000 0.007) 2.712 5.172 ( 0.175 -0.000 -0.266) 0.318 5.407 ( 0.907 -0.000 -0.668) 1.127 7.285 ( 1.360 -0.000 -0.124) 1.366 7.377 ( -4.372 0.000 -0.239) 4.379 7.583 ( -0.582 0.000 0.026) 0.583 7.820 ( 0.332 -0.000 -1.226) 1.270 7.997 ( 1.333 -0.000 0.198) 1.347 8.408 ( 2.225 -0.000 0.398) 2.261 10.033 ( 0.832 -0.000 -1.171) 1.436 10.156 ( -1.522 0.000 0.910) 1.773======================= Grid point 296 (147/160) =======================q-point: (-0.44 0.44 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.139 ( -0.316 12.767 0.164) 12.772 1.449 ( 0.119 2.934 0.276) 2.949 1.601 ( 0.324 -10.639 0.289) 10.648 1.733 ( 0.102 1.189 -0.853) 1.467 2.312 ( -0.119 -1.677 0.262) 1.701 2.401 ( 0.072 -1.753 -0.388) 1.797 2.663 ( 0.320 24.363 -0.588) 24.373 2.917 ( 0.047 0.594 0.334) 0.683 3.015 ( 0.840 3.656 0.489) 3.783 3.060 ( -1.260 -14.097 -0.765) 14.174 3.190 ( -0.042 -3.127 0.150) 3.131 3.549 ( 0.108 -2.215 -0.746) 2.340 3.866 ( 0.096 1.226 -0.134) 1.237 3.924 ( -0.314 -1.345 0.643) 1.523 4.058 ( -0.159 0.813 0.087) 0.833 4.181 ( -0.806 -1.201 0.747) 1.628 4.206 ( 1.175 -3.701 -0.529) 3.919 4.608 ( 0.118 -0.238 0.506) 0.572 4.909 ( -0.029 -0.111 -0.316) 0.336 5.127 ( 0.184 1.654 -0.195) 1.676 5.174 ( 0.265 -0.326 -0.397) 0.578 5.407 ( -0.278 0.472 -0.231) 0.594 7.312 ( 0.646 -0.264 -0.228) 0.734 7.326 ( -0.880 -0.816 0.190) 1.215 7.576 ( -0.085 0.407 0.124) 0.434 7.816 ( -0.107 -0.122 -0.797) 0.814 8.012 ( 0.190 -0.216 0.027) 0.289 8.425 ( -0.000 0.853 0.257) 0.891 10.027 ( -1.174 0.055 0.418) 1.248 10.155 ( 1.126 -0.349 -0.556) 1.303======================= Grid point 297 (148/160) =======================q-point: (-0.33 0.44 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.038 ( 3.473 13.153 0.473) 13.612 1.466 ( 6.546 7.357 -0.059) 9.848 1.669 ( -4.751 0.131 -1.219) 4.907 1.713 ( 0.660 -6.368 0.073) 6.403 2.224 ( -7.747 4.788 0.498) 9.121 2.435 ( 0.395 -2.519 -0.151) 2.554 2.507 ( 6.147 12.854 -0.599) 14.261 2.902 ( -1.078 0.939 0.173) 1.440 2.950 ( -2.377 4.340 -0.088) 4.950 3.159 ( -0.862 -6.702 0.309) 6.764 3.239 ( 1.865 -2.993 0.061) 3.527 3.586 ( 1.509 -2.710 -0.417) 3.130 3.847 ( -0.770 0.796 -0.094) 1.112 3.941 ( -0.464 -1.960 0.594) 2.100 4.052 ( 0.090 0.351 0.143) 0.390 4.205 ( 1.088 -2.744 0.244) 2.962 4.291 ( 3.906 -4.987 -0.563) 6.360 4.613 ( -0.042 -0.237 0.033) 0.243 4.908 ( -0.068 -0.436 -0.062) 0.445 5.086 ( -2.059 2.962 -0.317) 3.621 5.180 ( 0.207 -0.489 -0.597) 0.799 5.386 ( -1.360 0.979 0.284) 1.700 7.293 ( -1.515 -0.715 -0.123) 1.680 7.376 ( 3.593 -0.755 0.441) 3.698 7.578 ( 0.773 0.366 0.165) 0.871 7.810 ( -0.472 -0.230 -0.111) 0.537 8.008 ( -0.942 -0.556 -0.316) 1.138 8.395 ( -2.147 1.614 0.074) 2.688 10.008 ( -1.510 -0.206 1.225) 1.955 10.184 ( 2.092 -0.343 -1.168) 2.421======================= Grid point 298 (149/160) =======================q-point: (-0.22 0.44 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.011 ( 6.064 10.917 0.149) 12.489 1.417 ( 0.396 19.981 -0.353) 19.988 1.562 ( -7.029 -1.679 -1.237) 7.332 1.782 ( 6.276 -2.761 -0.283) 6.863 2.148 ( 0.225 -3.353 0.757) 3.445 2.450 ( 0.605 0.878 0.359) 1.125 2.538 ( 4.211 2.725 -0.906) 5.097 2.832 ( -6.169 -0.268 -0.256) 6.180 2.891 ( 1.442 6.892 -0.036) 7.041 3.160 ( -3.547 -2.127 0.571) 4.175 3.299 ( 1.252 -3.062 0.014) 3.309 3.641 ( 3.008 -0.826 0.294) 3.133 3.834 ( -0.700 -1.197 -0.026) 1.387 3.942 ( -1.595 -1.543 0.100) 2.222 4.052 ( -0.205 0.031 0.167) 0.266 4.269 ( 2.506 -3.745 -0.146) 4.509 4.408 ( 4.265 -4.363 -0.189) 6.104 4.611 ( -0.116 -0.043 -0.423) 0.441 4.925 ( 1.346 -1.457 0.155) 1.989 5.006 ( -3.215 3.478 -0.332) 4.748 5.180 ( -0.335 -0.442 -0.775) 0.953 5.347 ( -2.189 1.570 0.608) 2.761 7.273 ( -1.581 -0.536 0.089) 1.672 7.448 ( 3.876 0.078 0.423) 3.900 7.599 ( 1.569 -0.427 0.220) 1.641 7.807 ( -0.215 -0.388 0.521) 0.684 7.995 ( -0.936 -1.172 -0.570) 1.605 8.328 ( -3.582 2.025 -0.080) 4.115 9.999 ( -0.819 -0.641 1.199) 1.588 10.211 ( 1.630 0.049 -1.023) 1.925======================= Grid point 299 (150/160) =======================q-point: (-0.11 0.44 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.992 ( 3.095 11.185 -0.293) 11.609 1.226 ( 3.023 16.958 -0.112) 17.225 1.468 ( -7.463 -6.375 -1.057) 9.872 1.984 ( 12.116 -4.432 -0.273) 12.904 2.228 ( 1.210 -6.606 0.504) 6.735 2.423 ( -0.580 4.974 -0.170) 5.011 2.557 ( 1.710 4.416 -0.352) 4.748 2.733 ( -5.341 -0.194 -0.268) 5.352 2.844 ( 0.824 6.037 -0.296) 6.100 3.118 ( -2.386 -0.168 0.445) 2.433 3.332 ( -1.104 -3.774 0.067) 3.933 3.699 ( 3.289 1.086 0.968) 3.596 3.845 ( -0.196 -2.145 -0.190) 2.162 3.928 ( -1.375 -1.619 -0.133) 2.128 4.040 ( -1.504 -0.181 0.017) 1.515 4.347 ( 2.553 -3.282 -0.234) 4.165 4.497 ( 2.253 -2.357 0.246) 3.269 4.605 ( -0.161 0.068 -0.696) 0.717 4.918 ( -3.021 2.996 -0.197) 4.259 4.987 ( 3.390 -2.521 0.159) 4.228 5.166 ( -1.114 -0.120 -0.702) 1.322 5.292 ( -2.397 1.993 0.490) 3.156 7.253 ( -1.258 -0.122 0.168) 1.275 7.503 ( 2.521 0.232 0.255) 2.545 7.632 ( 1.264 -0.432 0.210) 1.352 7.819 ( 0.522 -0.481 0.797) 1.067 7.998 ( 0.118 -1.688 -0.611) 1.799 8.244 ( -3.711 1.924 -0.124) 4.182 10.004 ( -0.193 -0.760 0.682) 1.039 10.224 ( 0.766 0.356 -0.480) 0.971======================= Grid point 305 (151/160) =======================q-point: ( 0.56 -0.44 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.222 ( 1.180 -0.000 0.613) 1.330 1.527 ( 6.960 -0.000 0.100) 6.961 1.573 ( 3.991 -0.000 -0.500) 4.023 1.687 ( -5.458 0.000 -0.587) 5.490 2.263 ( -4.819 0.000 -0.110) 4.820 2.402 ( 1.464 -0.000 -0.046) 1.465 2.784 ( -6.596 0.000 -0.201) 6.599 2.833 ( -5.419 0.000 -1.071) 5.524 2.987 ( 2.263 -0.000 0.352) 2.290 3.066 ( 3.124 -0.000 0.862) 3.240 3.202 ( 3.269 -0.000 0.123) 3.272 3.556 ( 2.403 -0.000 -0.488) 2.452 3.862 ( -1.260 0.000 -0.312) 1.298 3.920 ( 0.029 -0.000 0.798) 0.798 4.062 ( -0.098 0.000 0.420) 0.431 4.176 ( 1.291 -0.000 0.337) 1.335 4.237 ( 4.340 -0.000 -0.883) 4.429 4.609 ( 0.025 -0.000 0.029) 0.038 4.904 ( -0.301 0.000 -0.072) 0.310 5.114 ( -2.340 0.000 -0.352) 2.367 5.175 ( 0.311 -0.000 -0.583) 0.661 5.395 ( -1.344 0.000 0.324) 1.383 7.285 ( -1.501 0.000 -0.145) 1.508 7.369 ( 4.074 -0.000 0.500) 4.105 7.581 ( 0.336 -0.000 0.196) 0.389 7.808 ( -0.421 0.000 -0.154) 0.449 8.003 ( -1.033 0.000 -0.325) 1.083 8.411 ( -2.232 0.000 0.117) 2.235 10.005 ( -1.723 0.000 1.205) 2.102 10.180 ( 2.364 -0.000 -1.191) 2.647======================= Grid point 307 (152/160) =======================q-point: (-0.33 0.56 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.206 ( 2.056 7.462 0.872) 7.789 1.555 ( -7.481 1.550 -0.665) 7.669 1.655 ( 7.283 2.557 -0.251) 7.723 1.712 ( 8.700 -3.851 -0.652) 9.536 2.131 ( -7.551 3.976 -0.052) 8.534 2.445 ( 2.479 -0.538 0.231) 2.547 2.613 ( -4.758 2.865 -0.088) 5.555 2.770 ( -7.940 -5.597 -0.575) 9.731 2.992 ( 0.360 3.211 0.005) 3.231 3.117 ( 0.096 -0.754 0.807) 1.109 3.275 ( 4.159 -0.389 0.047) 4.177 3.616 ( 4.156 -0.927 -0.136) 4.260 3.831 ( -1.662 0.015 -0.353) 1.699 3.924 ( -0.566 -0.282 0.584) 0.860 4.062 ( 0.004 0.608 0.526) 0.804 4.224 ( 3.582 -1.040 -0.166) 3.734 4.333 ( 5.657 -2.650 -0.660) 6.282 4.609 ( -0.024 -0.110 -0.417) 0.432 4.906 ( 0.508 -0.539 0.126) 0.751 5.051 ( -3.885 1.192 -0.454) 4.089 5.174 ( -0.156 -0.157 -0.736) 0.769 5.367 ( -2.125 0.527 0.696) 2.298 7.263 ( -1.402 -0.391 0.032) 1.456 7.453 ( 5.157 0.249 0.659) 5.205 7.589 ( 0.324 -0.400 0.325) 0.609 7.803 ( -0.209 -0.077 0.436) 0.490 7.981 ( -1.046 -0.341 -0.618) 1.262 8.355 ( -3.893 0.731 -0.055) 3.962 9.990 ( -0.978 -0.265 1.138) 1.524 10.212 ( 1.980 0.044 -0.984) 2.211======================= Grid point 308 (153/160) =======================q-point: (-0.22 -0.44 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.175 ( -0.035 4.622 0.731) 4.680 1.408 ( -6.751 2.789 -0.366) 7.314 1.604 ( -0.148 19.669 -0.538) 19.677 1.920 ( 12.435 -2.270 -0.475) 12.649 2.061 ( -1.411 -8.104 0.157) 8.227 2.464 ( -1.210 -0.348 0.281) 1.290 2.593 ( 0.696 -3.064 -0.177) 3.147 2.682 ( -7.735 -5.476 -0.421) 9.486 2.930 ( -3.854 4.283 -0.052) 5.762 3.102 ( -1.363 0.171 0.562) 1.484 3.331 ( 3.125 1.935 -0.060) 3.676 3.701 ( 4.447 -0.478 0.427) 4.493 3.814 ( -0.479 -1.378 -0.411) 1.516 3.911 ( -1.067 -0.035 0.131) 1.076 4.050 ( -0.764 1.216 0.342) 1.476 4.307 ( 4.721 -1.127 -0.343) 4.866 4.446 ( 4.252 -2.688 -0.032) 5.031 4.605 ( -0.070 -0.021 -0.751) 0.755 4.941 ( 1.703 -1.350 0.088) 2.175 4.967 ( -3.107 1.254 -0.443) 3.380 5.163 ( -0.694 -0.124 -0.753) 1.031 5.323 ( -2.631 1.109 0.684) 2.936 7.245 ( -1.202 -0.485 0.179) 1.309 7.522 ( 3.045 1.606 0.581) 3.491 7.611 ( 0.820 -1.638 0.492) 1.897 7.810 ( 0.323 -0.403 0.733) 0.897 7.976 ( 0.610 -0.621 -0.697) 1.115 8.273 ( -4.380 1.068 -0.179) 4.512 9.992 ( -0.001 -0.500 0.674) 0.839 10.230 ( 0.854 0.256 -0.466) 1.006======================= Grid point 309 (154/160) =======================q-point: (-0.11 -0.44 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.091 ( -4.817 6.169 0.394) 7.837 1.266 ( -7.820 -0.321 0.353) 7.834 1.444 ( 3.880 14.629 -0.346) 15.139 2.147 ( 8.590 -4.562 -0.444) 9.736 2.159 ( 4.326 -6.537 -0.027) 7.839 2.422 ( -2.727 1.649 -0.047) 3.187 2.582 ( -8.430 -2.457 -0.108) 8.781 2.645 ( 1.045 -1.215 -0.174) 1.612 2.822 ( -5.174 -2.049 0.163) 5.567 3.093 ( -0.304 -0.347 0.236) 0.518 3.347 ( 2.602 4.183 -0.187) 4.930 3.758 ( 1.736 0.328 0.368) 1.805 3.829 ( 0.077 -0.894 -0.168) 0.913 3.914 ( 1.378 -1.125 -0.096) 1.781 4.018 ( -1.288 1.627 0.101) 2.077 4.384 ( 3.427 -0.037 -0.301) 3.441 4.515 ( 1.657 -1.099 0.476) 2.045 4.598 ( -0.147 0.090 -0.813) 0.831 4.885 ( -2.605 1.128 -0.327) 2.858 5.028 ( 4.016 -2.230 -0.086) 4.594 5.143 ( -1.183 0.294 -0.503) 1.318 5.270 ( -2.248 1.077 0.259) 2.506 7.236 ( -0.523 -0.419 0.178) 0.693 7.539 ( 0.446 0.952 0.460) 1.148 7.640 ( 0.540 -0.805 0.375) 1.039 7.829 ( 0.554 -0.755 0.620) 1.123 8.001 ( 1.854 -0.205 -0.611) 1.963 8.197 ( -2.921 0.682 -0.178) 3.005 10.005 ( 0.716 -0.334 -0.006) 0.790 10.231 ( -0.360 0.232 0.215) 0.479======================= Grid point 316 (155/160) =======================q-point: (-0.33 -0.33 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.191 ( -7.674 0.000 0.824) 7.718 1.492 ( -1.204 0.000 0.609) 1.349 1.778 ( 9.359 -0.000 -1.309) 9.450 1.909 ( 12.636 -0.000 -0.340) 12.641 2.041 ( -6.358 0.000 -0.496) 6.377 2.380 ( -14.161 0.000 0.971) 14.194 2.532 ( 3.212 -0.000 0.703) 3.288 2.641 ( -4.962 0.000 -1.069) 5.076 2.981 ( -4.558 0.000 -0.089) 4.559 3.111 ( -1.278 0.000 0.536) 1.386 3.353 ( 4.650 -0.000 -0.146) 4.652 3.697 ( 5.561 -0.000 0.205) 5.565 3.797 ( -1.530 0.000 -0.501) 1.609 3.914 ( -1.034 0.000 0.259) 1.066 4.068 ( -0.168 0.000 0.621) 0.643 4.297 ( 5.413 -0.000 -0.401) 5.428 4.415 ( 5.465 -0.000 -0.311) 5.474 4.605 ( 0.036 -0.000 -0.721) 0.721 4.925 ( 2.315 -0.000 0.077) 2.316 4.981 ( -4.479 0.000 -0.551) 4.513 5.162 ( -0.572 0.000 -0.754) 0.946 5.333 ( -2.649 0.000 0.742) 2.751 7.240 ( -1.141 0.000 0.179) 1.155 7.548 ( 4.798 -0.000 0.782) 4.861 7.584 ( -0.800 0.000 0.567) 0.981 7.805 ( 0.056 -0.000 0.663) 0.666 7.971 ( 0.852 -0.000 -0.707) 1.107 8.283 ( -4.625 0.000 -0.209) 4.630 9.987 ( 0.082 -0.000 0.671) 0.677 10.233 ( 0.881 -0.000 -0.465) 0.996======================= Grid point 317 (156/160) =======================q-point: (-0.22 -0.33 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.040 ( -11.377 -3.605 1.049) 11.981 1.466 ( 1.217 10.129 1.020) 10.253 1.770 ( -4.446 19.305 -0.341) 19.814 2.001 ( 5.215 -6.523 -0.708) 8.382 2.079 ( 3.340 -6.818 -0.304) 7.598 2.293 ( -2.538 -12.165 0.384) 12.433 2.546 ( -3.501 2.078 -0.456) 4.096 2.612 ( 2.026 -2.370 0.354) 3.138 2.830 ( -11.050 1.309 0.127) 11.127 3.094 ( -0.780 0.190 0.137) 0.815 3.416 ( 3.993 2.033 -0.330) 4.493 3.768 ( 0.781 0.967 -0.329) 1.286 3.806 ( 3.585 -1.461 0.259) 3.880 3.900 ( -0.120 -0.318 -0.117) 0.359 4.054 ( -1.002 1.444 0.336) 1.790 4.389 ( 5.382 0.261 -0.353) 5.400 4.496 ( 3.218 -0.734 0.343) 3.319 4.600 ( -0.053 0.099 -0.854) 0.861 4.903 ( -3.618 0.629 -0.601) 3.721 4.991 ( 4.533 -1.314 -0.208) 4.724 5.146 ( -0.765 0.066 -0.613) 0.983 5.286 ( -2.990 0.479 0.436) 3.059 7.228 ( -0.583 -0.286 0.248) 0.695 7.563 ( -0.691 1.219 0.738) 1.584 7.620 ( 1.668 -1.004 0.666) 2.057 7.815 ( 0.397 -0.497 0.535) 0.831 8.001 ( 2.954 0.091 -0.614) 3.019 8.206 ( -3.844 0.232 -0.284) 3.862 10.000 ( 1.076 -0.131 0.065) 1.086 10.234 ( -0.543 0.098 0.152) 0.572======================= Grid point 318 (157/160) =======================q-point: (-0.11 -0.33 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.912 ( -10.642 -6.865 1.702) 12.778 1.254 ( -9.620 17.290 0.903) 19.806 1.600 ( 1.188 7.966 0.169) 8.056 2.117 ( -5.848 -15.047 0.270) 16.145 2.212 ( 7.463 -5.323 -0.891) 9.210 2.343 ( -8.463 1.792 -0.088) 8.651 2.470 ( 3.907 1.773 -0.393) 4.309 2.670 ( 1.655 -1.711 0.581) 2.451 2.681 ( -5.332 -4.200 0.216) 6.791 3.081 ( -0.984 -0.644 0.017) 1.176 3.445 ( 3.085 3.923 -0.397) 5.006 3.748 ( -2.027 -0.513 -1.167) 2.394 3.861 ( 2.986 1.979 0.695) 3.649 3.940 ( 2.932 -0.796 -0.017) 3.038 4.024 ( -0.433 1.051 0.028) 1.137 4.449 ( 3.017 2.547 -0.270) 3.957 4.537 ( 1.047 0.117 0.710) 1.270 4.593 ( -0.004 -0.049 -0.722) 0.724 4.850 ( -1.761 -0.527 -0.605) 1.935 5.077 ( 3.047 -0.213 -0.263) 3.066 5.130 ( 0.140 -0.032 -0.476) 0.497 5.240 ( -1.812 -0.323 -0.032) 1.841 7.230 ( 0.272 -0.548 0.161) 0.632 7.543 ( -1.041 0.978 0.638) 1.564 7.637 ( -0.787 -0.737 0.400) 1.150 7.831 ( 0.542 -0.549 0.131) 0.783 8.042 ( 2.365 1.509 -0.480) 2.846 8.163 ( -0.717 -0.954 -0.232) 1.216 10.022 ( 1.612 0.141 -0.624) 1.734 10.217 ( -1.639 -0.060 0.867) 1.855======================= Grid point 326 (158/160) =======================q-point: (-0.22 -0.22 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.835 ( -11.106 0.000 2.450) 11.373 1.570 ( 1.784 -0.000 1.354) 2.240 1.692 ( -21.636 0.000 1.455) 21.685 1.814 ( -7.907 0.000 -1.122) 7.986 2.153 ( 13.330 -0.000 -1.107) 13.376 2.389 ( 8.454 -0.000 -0.092) 8.455 2.467 ( -9.151 0.000 -0.473) 9.164 2.647 ( -7.261 0.000 0.024) 7.261 2.653 ( 4.095 -0.000 0.893) 4.191 3.075 ( -1.661 0.000 -0.052) 1.662 3.481 ( 2.562 -0.000 -0.364) 2.587 3.744 ( -2.491 0.000 -1.190) 2.761 3.894 ( 5.154 -0.000 0.827) 5.220 3.919 ( 3.511 -0.000 -0.181) 3.516 4.036 ( -2.017 0.000 -0.004) 2.017 4.477 ( 4.594 -0.000 -0.183) 4.598 4.539 ( 1.834 -0.000 0.785) 1.995 4.592 ( -0.356 0.000 -0.823) 0.897 4.845 ( -2.992 0.000 -0.885) 3.120 5.071 ( 5.634 -0.000 -0.518) 5.658 5.131 ( -0.784 0.000 -0.447) 0.903 5.238 ( -2.992 0.000 0.105) 2.994 7.224 ( 0.144 -0.000 0.222) 0.265 7.556 ( -0.884 0.000 0.825) 1.210 7.627 ( -1.210 0.000 0.462) 1.295 7.826 ( 0.962 -0.000 0.137) 0.972 8.059 ( 3.897 -0.000 -0.522) 3.932 8.152 ( -2.281 0.000 -0.260) 2.296 10.024 ( 1.825 -0.000 -0.568) 1.911 10.217 ( -1.777 0.000 0.830) 1.961======================= Grid point 327 (159/160) =======================q-point: (-0.11 -0.22 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 284Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.714 ( -7.703 -3.912 4.060) 9.546 1.188 ( -19.648 17.869 1.248) 26.587 1.630 ( -5.769 -8.211 1.357) 10.126 1.708 ( -13.301 -11.429 -0.910) 17.560 2.230 ( -9.818 6.537 0.221) 11.797 2.385 ( 13.414 -0.711 -0.580) 13.446 2.490 ( -1.339 -7.210 0.301) 7.339 2.606 ( 1.267 1.665 -0.179) 2.099 2.776 ( 9.231 1.151 0.238) 9.306 3.047 ( -1.701 -1.464 -0.041) 2.245 3.494 ( -0.135 1.333 -0.155) 1.349 3.681 ( -3.826 -0.605 -1.725) 4.241 3.964 ( 4.662 2.387 0.745) 5.290 3.979 ( 0.189 1.935 -0.440) 1.993 4.031 ( 3.647 -1.935 0.041) 4.129 4.519 ( 1.666 2.623 -0.069) 3.109 4.566 ( 1.178 1.535 0.921) 2.143 4.582 ( -0.331 -0.623 -0.745) 1.026 4.798 ( -2.474 -2.084 -1.087) 3.412 5.095 ( -2.043 2.114 -0.444) 2.973 5.161 ( 3.708 -0.391 -0.543) 3.768 5.210 ( -0.159 -1.784 -0.087) 1.793 7.236 ( 0.879 -0.485 0.086) 1.007 7.541 ( -1.097 1.661 0.545) 2.063 7.595 ( -2.897 -1.604 0.196) 3.317 7.843 ( 0.977 0.094 -0.369) 1.048 8.094 ( 1.166 3.055 -0.268) 3.281 8.152 ( 1.657 -2.865 -0.258) 3.320 10.048 ( 1.607 0.242 -1.220) 2.033 10.191 ( -1.940 -0.120 1.602) 2.519======================= Grid point 336 (160/160) =======================q-point: (-0.11 -0.11 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 160Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.643 ( -2.483 0.000 5.802) 6.310 0.930 ( -23.549 0.000 2.046) 23.637 1.156 ( -26.816 0.000 0.209) 26.817 1.650 ( -2.008 0.000 -0.157) 2.014 2.141 ( -4.666 0.000 0.489) 4.692 2.409 ( -3.193 0.000 0.492) 3.230 2.616 ( 13.562 -0.000 0.036) 13.563 2.649 ( 2.309 -0.000 -0.277) 2.325 2.961 ( 10.171 -0.000 -0.227) 10.173 3.004 ( -1.619 0.000 0.056) 1.620 3.462 ( -4.567 0.000 0.125) 4.569 3.603 ( -3.179 0.000 -2.017) 3.765 3.955 ( -1.591 0.000 -0.673) 1.728 4.058 ( 3.332 -0.000 0.843) 3.437 4.122 ( 6.508 -0.000 -0.135) 6.509 4.544 ( -0.009 0.000 0.493) 0.493 4.552 ( -1.452 0.000 -0.651) 1.592 4.625 ( 2.498 -0.000 0.588) 2.566 4.716 ( -4.232 0.000 -1.656) 4.544 5.056 ( -2.994 0.000 -0.682) 3.070 5.202 ( 0.718 -0.000 0.275) 0.769 5.220 ( 2.966 -0.000 -0.626) 3.032 7.251 ( 1.233 -0.000 0.019) 1.233 7.516 ( -4.217 0.000 -0.112) 4.218 7.548 ( -0.409 0.000 0.418) 0.585 7.854 ( 0.626 -0.000 -0.744) 0.973 8.117 ( -0.211 0.000 -0.028) 0.213 8.174 ( 2.816 -0.000 -0.250) 2.827 10.056 ( -0.062 0.000 -1.189) 1.191 10.181 ( -0.261 0.000 1.776) 1.795=================== 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 3/17010 10.0 89.025 126.727 9.781 0.000 3.270 0.000 3/17010 20.0 54.730 99.984 4.155 0.000 0.933 0.000 3/17010 30.0 36.642 67.401 2.481 0.000 0.467 0.000 3/17010 40.0 26.649 48.328 1.744 0.000 0.300 0.000 3/17010 50.0 20.616 36.947 1.338 0.000 0.218 0.000 3/17010 60.0 16.693 29.680 1.085 0.000 0.170 0.000 3/17010 70.0 13.981 24.732 0.912 0.000 0.139 0.000 3/17010 80.0 12.013 21.178 0.786 0.000 0.118 0.000 3/17010 90.0 10.527 18.514 0.692 0.000 0.102 0.000 3/17010 100.0 9.369 16.449 0.618 0.000 0.090 0.000 3/17010 110.0 8.442 14.802 0.558 0.000 0.080 0.000 3/17010 120.0 7.684 13.459 0.509 0.000 0.073 0.000 3/17010 130.0 7.053 12.343 0.469 0.000 0.066 0.000 3/17010 140.0 6.519 11.401 0.434 0.000 0.061 0.000 3/17010 150.0 6.062 10.594 0.404 0.000 0.056 0.000 3/17010 160.0 5.665 9.896 0.378 0.000 0.052 0.000 3/17010 170.0 5.318 9.286 0.356 0.000 0.049 0.000 3/17010 180.0 5.012 8.748 0.336 0.000 0.046 0.000 3/17010 190.0 4.740 8.270 0.318 0.000 0.043 0.000 3/17010 200.0 4.496 7.842 0.302 0.000 0.041 0.000 3/17010 210.0 4.276 7.457 0.287 0.000 0.039 0.000 3/17010 220.0 4.077 7.109 0.274 0.000 0.037 0.000 3/17010 230.0 3.896 6.792 0.262 0.000 0.035 0.000 3/17010 240.0 3.731 6.502 0.251 0.000 0.033 0.000 3/17010 250.0 3.579 6.236 0.241 0.000 0.032 0.000 3/17010 260.0 3.439 5.992 0.232 0.000 0.030 0.000 3/17010 270.0 3.310 5.766 0.223 0.000 0.029 0.000 3/17010 280.0 3.191 5.557 0.215 0.000 0.028 0.000 3/17010 290.0 3.079 5.362 0.208 0.000 0.027 0.000 3/17010 300.0 2.976 5.181 0.201 0.000 0.026 0.000 3/17010 310.0 2.879 5.012 0.194 0.000 0.025 0.000 3/17010 320.0 2.788 4.854 0.188 0.000 0.024 0.000 3/17010 330.0 2.703 4.705 0.182 0.000 0.023 0.000 3/17010 340.0 2.623 4.565 0.177 0.000 0.023 0.000 3/17010 350.0 2.548 4.433 0.172 0.000 0.022 0.000 3/17010 360.0 2.476 4.309 0.167 0.000 0.021 0.000 3/17010 370.0 2.409 4.192 0.163 0.000 0.021 0.000 3/17010 380.0 2.345 4.081 0.159 0.000 0.020 0.000 3/17010 390.0 2.285 3.975 0.154 0.000 0.020 0.000 3/17010 400.0 2.228 3.875 0.151 0.000 0.019 0.000 3/17010 410.0 2.173 3.780 0.147 0.000 0.018 0.000 3/17010 420.0 2.121 3.690 0.143 0.000 0.018 0.000 3/17010 430.0 2.072 3.604 0.140 0.000 0.018 0.000 3/17010 440.0 2.025 3.521 0.137 0.000 0.017 0.000 3/17010 450.0 1.980 3.443 0.134 0.000 0.017 0.000 3/17010 460.0 1.936 3.368 0.131 0.000 0.016 0.000 3/17010 470.0 1.895 3.296 0.128 0.000 0.016 0.000 3/17010 480.0 1.856 3.227 0.126 0.000 0.016 0.000 3/17010 490.0 1.818 3.161 0.123 0.000 0.015 0.000 3/17010 500.0 1.781 3.097 0.121 0.000 0.015 0.000 3/17010 510.0 1.746 3.036 0.118 0.000 0.015 0.000 3/17010 520.0 1.713 2.978 0.116 0.000 0.014 0.000 3/17010 530.0 1.681 2.922 0.114 0.000 0.014 0.000 3/17010 540.0 1.649 2.867 0.112 0.000 0.014 0.000 3/17010 550.0 1.619 2.815 0.110 0.000 0.013 0.000 3/17010 560.0 1.590 2.765 0.108 0.000 0.013 0.000 3/17010 570.0 1.563 2.716 0.106 0.000 0.013 0.000 3/17010 580.0 1.536 2.669 0.104 0.000 0.013 0.000 3/17010 590.0 1.510 2.624 0.102 0.000 0.012 0.000 3/17010 600.0 1.485 2.580 0.101 0.000 0.012 0.000 3/17010 610.0 1.460 2.538 0.099 0.000 0.012 0.000 3/17010 620.0 1.437 2.497 0.097 0.000 0.012 0.000 3/17010 630.0 1.414 2.457 0.096 0.000 0.012 0.000 3/17010 640.0 1.392 2.419 0.094 0.000 0.011 0.000 3/17010 650.0 1.370 2.382 0.093 0.000 0.011 0.000 3/17010 660.0 1.350 2.345 0.092 0.000 0.011 0.000 3/17010 670.0 1.330 2.310 0.090 0.000 0.011 0.000 3/17010 680.0 1.310 2.276 0.089 0.000 0.011 0.000 3/17010 690.0 1.291 2.243 0.088 0.000 0.011 0.000 3/17010 700.0 1.273 2.211 0.086 0.000 0.010 0.000 3/17010 710.0 1.255 2.180 0.085 0.000 0.010 0.000 3/17010 720.0 1.237 2.150 0.084 0.000 0.010 0.000 3/17010 730.0 1.220 2.120 0.083 0.000 0.010 0.000 3/17010 740.0 1.204 2.092 0.082 0.000 0.010 0.000 3/17010 750.0 1.188 2.064 0.081 0.000 0.010 0.000 3/17010 760.0 1.172 2.037 0.080 0.000 0.009 0.000 3/17010 770.0 1.157 2.010 0.079 0.000 0.009 0.000 3/17010 780.0 1.142 1.985 0.078 0.000 0.009 0.000 3/17010 790.0 1.128 1.959 0.077 0.000 0.009 0.000 3/17010 800.0 1.114 1.935 0.076 0.000 0.009 0.000 3/17010 810.0 1.100 1.911 0.075 0.000 0.009 0.000 3/17010 820.0 1.087 1.888 0.074 0.000 0.009 0.000 3/17010 830.0 1.074 1.865 0.073 0.000 0.009 0.000 3/17010 840.0 1.061 1.843 0.072 0.000 0.009 0.000 3/17010 850.0 1.048 1.821 0.071 0.000 0.008 0.000 3/17010 860.0 1.036 1.800 0.070 0.000 0.008 0.000 3/17010 870.0 1.024 1.779 0.070 0.000 0.008 0.000 3/17010 880.0 1.013 1.759 0.069 0.000 0.008 0.000 3/17010 890.0 1.001 1.739 0.068 0.000 0.008 0.000 3/17010 900.0 0.990 1.720 0.067 0.000 0.008 0.000 3/17010 910.0 0.979 1.701 0.067 0.000 0.008 0.000 3/17010 920.0 0.969 1.683 0.066 0.000 0.008 0.000 3/17010 930.0 0.958 1.665 0.065 0.000 0.008 0.000 3/17010 940.0 0.948 1.647 0.064 0.000 0.008 0.000 3/17010 950.0 0.938 1.630 0.064 0.000 0.007 0.000 3/17010 960.0 0.928 1.613 0.063 0.000 0.007 0.000 3/17010 970.0 0.919 1.596 0.062 0.000 0.007 0.000 3/17010 980.0 0.910 1.580 0.062 0.000 0.007 0.000 3/17010 990.0 0.900 1.564 0.061 0.000 0.007 0.000 3/17010 1000.0 0.891 1.548 0.061 0.000 0.007 0.000 3/17010Thermal conductivity related properties were written into "kappa-m997.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 18:43:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|