# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/0ce8e38a-bd62-4458-8f92-aa5eeca1437e/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 NaAuF4 / I4/mcm (140) / materials id 7388](https://mdr.nims.go.jp/datasets/1a1c2dce-42cf-4a33-bedc-94f0518baafd) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 22:20:34]-------------------------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 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5]Spacegroup: I4/mcm (140)Number of symmetry operations in supercell: 128------------------------------ primitive cell ------------------------------Lattice vectors: a -2.824556504999999 2.824556504999999 5.236422735000000 b 2.824556504999999 -2.824556504999999 5.236422735000000 c 2.824556504999999 2.824556504999999 -5.236422735000000Atomic positions (fractional): *1 F 0.54320024971605 0.69699572011515 0.50000000000000 18.998 2 F 0.80300427988485 0.95679975028395 0.50000000000000 18.998 3 F 0.45679975028395 0.30300427988485 0.50000000000000 18.998 4 F 0.95679975028395 0.45679975028395 0.15379547039910 18.998 5 F 0.19699572011515 0.04320024971605 0.50000000000000 18.998 6 F 0.69699572011515 0.19699572011515 0.15379547039910 18.998 7 F 0.04320024971605 0.54320024971605 0.84620452960090 18.998 8 F 0.30300427988485 0.80300427988485 0.84620452960090 18.998 *9 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 10 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 *11 Au 0.50000000000000 0.00000000000000 0.50000000000000 196.967 12 Au 0.00000000000000 0.50000000000000 0.50000000000000 196.967-------------------------------- unit cell ---------------------------------Lattice vectors: a 5.649113009999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.649113009999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.472845469999999Atomic positions (fractional): *1 F 0.32689773519955 0.17310226480045 0.37009798491560 18.998 > 1 2 F 0.82689773519955 0.67310226480045 0.12990201508440 18.998 > 2 3 F 0.17310226480045 0.32689773519955 0.12990201508440 18.998 > 3 4 F 0.32689773519955 0.82689773519955 0.12990201508440 18.998 > 4 5 F 0.67310226480045 0.82689773519955 0.37009798491560 18.998 > 5 6 F 0.82689773519955 0.32689773519955 0.37009798491560 18.998 > 6 7 F 0.17310226480045 0.67310226480045 0.37009798491560 18.998 > 7 8 F 0.67310226480045 0.17310226480045 0.12990201508440 18.998 > 8 9 F 0.82689773519955 0.67310226480045 0.87009798491560 18.998 > 1 10 F 0.32689773519955 0.17310226480045 0.62990201508440 18.998 > 2 11 F 0.67310226480045 0.82689773519955 0.62990201508440 18.998 > 3 12 F 0.82689773519955 0.32689773519955 0.62990201508440 18.998 > 4 13 F 0.17310226480045 0.32689773519955 0.87009798491560 18.998 > 5 14 F 0.32689773519955 0.82689773519955 0.87009798491560 18.998 > 6 15 F 0.67310226480045 0.17310226480045 0.87009798491560 18.998 > 7 16 F 0.17310226480045 0.67310226480045 0.62990201508440 18.998 > 8 *17 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 9 18 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 10 19 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 9 20 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 10 *21 Au 0.00000000000000 0.50000000000000 0.00000000000000 196.967 > 11 22 Au 0.50000000000000 0.00000000000000 0.00000000000000 196.967 > 12 23 Au 0.50000000000000 0.00000000000000 0.50000000000000 196.967 > 11 24 Au 0.00000000000000 0.50000000000000 0.50000000000000 196.967 > 12-------------------------------- super cell --------------------------------Lattice vectors: a 11.298226019999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.298226019999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.472845469999999Atomic positions (fractional): *1 F 0.16344886759977 0.08655113240023 0.37009798491560 18.998 > 1 2 F 0.66344886759977 0.08655113240023 0.37009798491560 18.998 > 1 3 F 0.16344886759977 0.58655113240023 0.37009798491560 18.998 > 1 4 F 0.66344886759977 0.58655113240023 0.37009798491560 18.998 > 1 5 F 0.41344886759977 0.33655113240023 0.12990201508440 18.998 > 2 6 F 0.91344886759977 0.33655113240023 0.12990201508440 18.998 > 2 7 F 0.41344886759977 0.83655113240023 0.12990201508440 18.998 > 2 8 F 0.91344886759977 0.83655113240023 0.12990201508440 18.998 > 2 9 F 0.08655113240023 0.16344886759977 0.12990201508440 18.998 > 3 10 F 0.58655113240023 0.16344886759977 0.12990201508440 18.998 > 3 11 F 0.08655113240023 0.66344886759977 0.12990201508440 18.998 > 3 12 F 0.58655113240023 0.66344886759977 0.12990201508440 18.998 > 3 13 F 0.16344886759977 0.41344886759977 0.12990201508440 18.998 > 4 14 F 0.66344886759977 0.41344886759977 0.12990201508440 18.998 > 4 15 F 0.16344886759977 0.91344886759977 0.12990201508440 18.998 > 4 16 F 0.66344886759977 0.91344886759977 0.12990201508440 18.998 > 4 17 F 0.33655113240023 0.41344886759977 0.37009798491560 18.998 > 5 18 F 0.83655113240023 0.41344886759977 0.37009798491560 18.998 > 5 19 F 0.33655113240023 0.91344886759977 0.37009798491560 18.998 > 5 20 F 0.83655113240023 0.91344886759977 0.37009798491560 18.998 > 5 21 F 0.41344886759977 0.16344886759977 0.37009798491560 18.998 > 6 22 F 0.91344886759977 0.16344886759977 0.37009798491560 18.998 > 6 23 F 0.41344886759977 0.66344886759977 0.37009798491560 18.998 > 6 24 F 0.91344886759977 0.66344886759977 0.37009798491560 18.998 > 6 25 F 0.08655113240023 0.33655113240023 0.37009798491560 18.998 > 7 26 F 0.58655113240023 0.33655113240023 0.37009798491560 18.998 > 7 27 F 0.08655113240023 0.83655113240023 0.37009798491560 18.998 > 7 28 F 0.58655113240023 0.83655113240023 0.37009798491560 18.998 > 7 29 F 0.33655113240023 0.08655113240023 0.12990201508440 18.998 > 8 30 F 0.83655113240023 0.08655113240023 0.12990201508440 18.998 > 8 31 F 0.33655113240023 0.58655113240023 0.12990201508440 18.998 > 8 32 F 0.83655113240023 0.58655113240023 0.12990201508440 18.998 > 8 33 F 0.41344886759977 0.33655113240023 0.87009798491560 18.998 > 1 34 F 0.91344886759977 0.33655113240023 0.87009798491560 18.998 > 1 35 F 0.41344886759977 0.83655113240023 0.87009798491560 18.998 > 1 36 F 0.91344886759977 0.83655113240023 0.87009798491560 18.998 > 1 37 F 0.16344886759977 0.08655113240023 0.62990201508440 18.998 > 2 38 F 0.66344886759977 0.08655113240023 0.62990201508440 18.998 > 2 39 F 0.16344886759977 0.58655113240023 0.62990201508440 18.998 > 2 40 F 0.66344886759977 0.58655113240023 0.62990201508440 18.998 > 2 41 F 0.33655113240023 0.41344886759977 0.62990201508440 18.998 > 3 42 F 0.83655113240023 0.41344886759977 0.62990201508440 18.998 > 3 43 F 0.33655113240023 0.91344886759977 0.62990201508440 18.998 > 3 44 F 0.83655113240023 0.91344886759977 0.62990201508440 18.998 > 3 45 F 0.41344886759977 0.16344886759977 0.62990201508440 18.998 > 4 46 F 0.91344886759977 0.16344886759977 0.62990201508440 18.998 > 4 47 F 0.41344886759977 0.66344886759977 0.62990201508440 18.998 > 4 48 F 0.91344886759977 0.66344886759977 0.62990201508440 18.998 > 4 49 F 0.08655113240023 0.16344886759977 0.87009798491560 18.998 > 5 50 F 0.58655113240023 0.16344886759977 0.87009798491560 18.998 > 5 51 F 0.08655113240023 0.66344886759977 0.87009798491560 18.998 > 5 52 F 0.58655113240023 0.66344886759977 0.87009798491560 18.998 > 5 53 F 0.16344886759977 0.41344886759977 0.87009798491560 18.998 > 6 54 F 0.66344886759977 0.41344886759977 0.87009798491560 18.998 > 6 55 F 0.16344886759977 0.91344886759977 0.87009798491560 18.998 > 6 56 F 0.66344886759977 0.91344886759977 0.87009798491560 18.998 > 6 57 F 0.33655113240023 0.08655113240023 0.87009798491560 18.998 > 7 58 F 0.83655113240023 0.08655113240023 0.87009798491560 18.998 > 7 59 F 0.33655113240023 0.58655113240023 0.87009798491560 18.998 > 7 60 F 0.83655113240023 0.58655113240023 0.87009798491560 18.998 > 7 61 F 0.08655113240023 0.33655113240023 0.62990201508440 18.998 > 8 62 F 0.58655113240023 0.33655113240023 0.62990201508440 18.998 > 8 63 F 0.08655113240023 0.83655113240023 0.62990201508440 18.998 > 8 64 F 0.58655113240023 0.83655113240023 0.62990201508440 18.998 > 8 *65 Na 0.25000000000000 0.25000000000000 0.25000000000000 22.990 > 9 66 Na 0.75000000000000 0.25000000000000 0.25000000000000 22.990 > 9 67 Na 0.25000000000000 0.75000000000000 0.25000000000000 22.990 > 9 68 Na 0.75000000000000 0.75000000000000 0.25000000000000 22.990 > 9 69 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 10 70 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 10 71 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 10 72 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 10 73 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 9 74 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 9 75 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 9 76 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 9 77 Na 0.25000000000000 0.25000000000000 0.75000000000000 22.990 > 10 78 Na 0.75000000000000 0.25000000000000 0.75000000000000 22.990 > 10 79 Na 0.25000000000000 0.75000000000000 0.75000000000000 22.990 > 10 80 Na 0.75000000000000 0.75000000000000 0.75000000000000 22.990 > 10 *81 Au 0.00000000000000 0.25000000000000 0.00000000000000 196.967 > 11 82 Au 0.50000000000000 0.25000000000000 0.00000000000000 196.967 > 11 83 Au 0.00000000000000 0.75000000000000 0.00000000000000 196.967 > 11 84 Au 0.50000000000000 0.75000000000000 0.00000000000000 196.967 > 11 85 Au 0.25000000000000 0.00000000000000 0.00000000000000 196.967 > 12 86 Au 0.75000000000000 0.00000000000000 0.00000000000000 196.967 > 12 87 Au 0.25000000000000 0.50000000000000 0.00000000000000 196.967 > 12 88 Au 0.75000000000000 0.50000000000000 0.00000000000000 196.967 > 12 89 Au 0.25000000000000 0.00000000000000 0.50000000000000 196.967 > 11 90 Au 0.75000000000000 0.00000000000000 0.50000000000000 196.967 > 11 91 Au 0.25000000000000 0.50000000000000 0.50000000000000 196.967 > 11 92 Au 0.75000000000000 0.50000000000000 0.50000000000000 196.967 > 11 93 Au 0.00000000000000 0.25000000000000 0.50000000000000 196.967 > 12 94 Au 0.50000000000000 0.25000000000000 0.50000000000000 196.967 > 12 95 Au 0.00000000000000 0.75000000000000 0.50000000000000 196.967 > 12 96 Au 0.50000000000000 0.75000000000000 0.50000000000000 196.967 > 12----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.5168009 0.0000000 0.0000000 0.0000000 2.5168009 0.0000000 0.0000000 0.0000000 2.6700647-------------------------- Born effective charges -------------------------- 1 F -0.8011766 0.3025433 -0.3625292 0.3025433 -0.8011766 0.3625292 -0.3306453 0.3306453 -0.9028904 2 F -0.8011766 0.3025433 0.3625292 0.3025433 -0.8011766 -0.3625292 0.3306453 -0.3306453 -0.9028904 3 F -0.8011766 0.3025433 -0.3625292 0.3025433 -0.8011766 0.3625292 -0.3306453 0.3306453 -0.9028904 4 F -0.8011766 -0.3025433 0.3625292 -0.3025433 -0.8011766 0.3625292 0.3306453 0.3306453 -0.9028904 5 F -0.8011766 0.3025433 0.3625292 0.3025433 -0.8011766 -0.3625292 0.3306453 -0.3306453 -0.9028904 6 F -0.8011766 -0.3025433 -0.3625292 -0.3025433 -0.8011766 -0.3625292 -0.3306453 -0.3306453 -0.9028904 7 F -0.8011766 -0.3025433 0.3625292 -0.3025433 -0.8011766 0.3625292 0.3306453 0.3306453 -0.9028904 8 F -0.8011766 -0.3025433 -0.3625292 -0.3025433 -0.8011766 -0.3625292 -0.3306453 -0.3306453 -0.9028904 9 Na 1.1633797 0.0000000 0.0000000 0.0000000 1.1633797 0.0000000 0.0000000 0.0000000 1.3890765 10 Na 1.1633797 0.0000000 0.0000000 0.0000000 1.1633797 0.0000000 0.0000000 0.0000000 1.3890765 11 Au 2.0413268 -0.6596969 0.0000000 -0.6596969 2.0413268 0.0000000 0.0000000 0.0000000 2.2224852 12 Au 2.0413268 0.6596969 0.0000000 0.6596969 2.0413268 0.0000000 0.0000000 0.0000000 2.2224852----------------------------------------------------------------------------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: 288/288Permutation basis: 6624/6624Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 405Number of blocks in projector: 405Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 4--- Eigsh_solver_block: 1 / 4 ---Block_size: 138Use standard eigh solver.--- Eigsh_solver_block: 2 / 4 ---Block_size: 109Use standard eigh solver.--- Eigsh_solver_block: 3 / 4 ---Block_size: 85Use standard eigh solver.--- Eigsh_solver_block: 4 / 4 ---Block_size: 73Use standard eigh solver.Tree of FC basis block matrices:- (405, 395), data: False|-- (73, 70), data: True|-- (85, 83), data: True|-- (109, 106), data: True|-- (138, 136), data: True-----Solver_atoms: 1 -- 96 / 96Time (Solver_compr_matrix_reshape): 0.004Solver_block: 100 / 160 - Time: 0.303Solver_block: 160 / 160 - Time: 0.241Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.584--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 288/288Permutation basis: 6624/6624Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 405Number of blocks in projector: 405Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 4--- Eigsh_solver_block: 1 / 4 ---Block_size: 138Use standard eigh solver.--- Eigsh_solver_block: 2 / 4 ---Block_size: 109Use standard eigh solver.--- Eigsh_solver_block: 3 / 4 ---Block_size: 85Use standard eigh solver.--- Eigsh_solver_block: 4 / 4 ---Block_size: 73Use standard eigh solver.Tree of FC basis block matrices:- (405, 395), data: False|-- (73, 70), data: True|-- (85, 83), data: True|-- (109, 106), data: True|-- (138, 136), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 22:20:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 22:20:42]-------------------------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 2 1]Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5]Spacegroup: I4/mcm (140)------------------------------ primitive cell ------------------------------Lattice vectors: a -2.824556504999999 2.824556504999999 5.236422735000000 b 2.824556504999999 -2.824556504999999 5.236422735000000 c 2.824556504999999 2.824556504999999 -5.236422735000000Atomic positions (fractional): 1 F 0.54320024971605 0.69699572011515 0.50000000000000 18.998 2 F 0.80300427988485 0.95679975028395 0.50000000000000 18.998 3 F 0.45679975028395 0.30300427988485 0.50000000000000 18.998 4 F 0.95679975028395 0.45679975028395 0.15379547039910 18.998 5 F 0.19699572011515 0.04320024971605 0.50000000000000 18.998 6 F 0.69699572011515 0.19699572011515 0.15379547039910 18.998 7 F 0.04320024971605 0.54320024971605 0.84620452960090 18.998 8 F 0.30300427988485 0.80300427988485 0.84620452960090 18.998 9 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 10 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 11 Au 0.50000000000000 0.00000000000000 0.50000000000000 196.967 12 Au 0.00000000000000 0.50000000000000 0.50000000000000 196.967-------------------------------- supercell ---------------------------------Lattice vectors: a 11.298226019999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.298226019999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.472845469999999Atomic positions (fractional): 1 F 0.16344886759977 0.08655113240023 0.37009798491560 18.998 > 1 2 F 0.66344886759977 0.08655113240023 0.37009798491560 18.998 > 1 3 F 0.16344886759977 0.58655113240023 0.37009798491560 18.998 > 1 4 F 0.66344886759977 0.58655113240023 0.37009798491560 18.998 > 1 5 F 0.41344886759977 0.33655113240023 0.12990201508440 18.998 > 5 6 F 0.91344886759977 0.33655113240023 0.12990201508440 18.998 > 5 7 F 0.41344886759977 0.83655113240023 0.12990201508440 18.998 > 5 8 F 0.91344886759977 0.83655113240023 0.12990201508440 18.998 > 5 9 F 0.08655113240023 0.16344886759977 0.12990201508440 18.998 > 9 10 F 0.58655113240023 0.16344886759977 0.12990201508440 18.998 > 9 11 F 0.08655113240023 0.66344886759977 0.12990201508440 18.998 > 9 12 F 0.58655113240023 0.66344886759977 0.12990201508440 18.998 > 9 13 F 0.16344886759977 0.41344886759977 0.12990201508440 18.998 > 13 14 F 0.66344886759977 0.41344886759977 0.12990201508440 18.998 > 13 15 F 0.16344886759977 0.91344886759977 0.12990201508440 18.998 > 13 16 F 0.66344886759977 0.91344886759977 0.12990201508440 18.998 > 13 17 F 0.33655113240023 0.41344886759977 0.37009798491560 18.998 > 17 18 F 0.83655113240023 0.41344886759977 0.37009798491560 18.998 > 17 19 F 0.33655113240023 0.91344886759977 0.37009798491560 18.998 > 17 20 F 0.83655113240023 0.91344886759977 0.37009798491560 18.998 > 17 21 F 0.41344886759977 0.16344886759977 0.37009798491560 18.998 > 21 22 F 0.91344886759977 0.16344886759977 0.37009798491560 18.998 > 21 23 F 0.41344886759977 0.66344886759977 0.37009798491560 18.998 > 21 24 F 0.91344886759977 0.66344886759977 0.37009798491560 18.998 > 21 25 F 0.08655113240023 0.33655113240023 0.37009798491560 18.998 > 25 26 F 0.58655113240023 0.33655113240023 0.37009798491560 18.998 > 25 27 F 0.08655113240023 0.83655113240023 0.37009798491560 18.998 > 25 28 F 0.58655113240023 0.83655113240023 0.37009798491560 18.998 > 25 29 F 0.33655113240023 0.08655113240023 0.12990201508440 18.998 > 29 30 F 0.83655113240023 0.08655113240023 0.12990201508440 18.998 > 29 31 F 0.33655113240023 0.58655113240023 0.12990201508440 18.998 > 29 32 F 0.83655113240023 0.58655113240023 0.12990201508440 18.998 > 29 33 F 0.41344886759977 0.33655113240023 0.87009798491560 18.998 > 1 34 F 0.91344886759977 0.33655113240023 0.87009798491560 18.998 > 1 35 F 0.41344886759977 0.83655113240023 0.87009798491560 18.998 > 1 36 F 0.91344886759977 0.83655113240023 0.87009798491560 18.998 > 1 37 F 0.16344886759977 0.08655113240023 0.62990201508440 18.998 > 5 38 F 0.66344886759977 0.08655113240023 0.62990201508440 18.998 > 5 39 F 0.16344886759977 0.58655113240023 0.62990201508440 18.998 > 5 40 F 0.66344886759977 0.58655113240023 0.62990201508440 18.998 > 5 41 F 0.33655113240023 0.41344886759977 0.62990201508440 18.998 > 9 42 F 0.83655113240023 0.41344886759977 0.62990201508440 18.998 > 9 43 F 0.33655113240023 0.91344886759977 0.62990201508440 18.998 > 9 44 F 0.83655113240023 0.91344886759977 0.62990201508440 18.998 > 9 45 F 0.41344886759977 0.16344886759977 0.62990201508440 18.998 > 13 46 F 0.91344886759977 0.16344886759977 0.62990201508440 18.998 > 13 47 F 0.41344886759977 0.66344886759977 0.62990201508440 18.998 > 13 48 F 0.91344886759977 0.66344886759977 0.62990201508440 18.998 > 13 49 F 0.08655113240023 0.16344886759977 0.87009798491560 18.998 > 17 50 F 0.58655113240023 0.16344886759977 0.87009798491560 18.998 > 17 51 F 0.08655113240023 0.66344886759977 0.87009798491560 18.998 > 17 52 F 0.58655113240023 0.66344886759977 0.87009798491560 18.998 > 17 53 F 0.16344886759977 0.41344886759977 0.87009798491560 18.998 > 21 54 F 0.66344886759977 0.41344886759977 0.87009798491560 18.998 > 21 55 F 0.16344886759977 0.91344886759977 0.87009798491560 18.998 > 21 56 F 0.66344886759977 0.91344886759977 0.87009798491560 18.998 > 21 57 F 0.33655113240023 0.08655113240023 0.87009798491560 18.998 > 25 58 F 0.83655113240023 0.08655113240023 0.87009798491560 18.998 > 25 59 F 0.33655113240023 0.58655113240023 0.87009798491560 18.998 > 25 60 F 0.83655113240023 0.58655113240023 0.87009798491560 18.998 > 25 61 F 0.08655113240023 0.33655113240023 0.62990201508440 18.998 > 29 62 F 0.58655113240023 0.33655113240023 0.62990201508440 18.998 > 29 63 F 0.08655113240023 0.83655113240023 0.62990201508440 18.998 > 29 64 F 0.58655113240023 0.83655113240023 0.62990201508440 18.998 > 29 65 Na 0.25000000000000 0.25000000000000 0.25000000000000 22.990 > 65 66 Na 0.75000000000000 0.25000000000000 0.25000000000000 22.990 > 65 67 Na 0.25000000000000 0.75000000000000 0.25000000000000 22.990 > 65 68 Na 0.75000000000000 0.75000000000000 0.25000000000000 22.990 > 65 69 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 69 70 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 69 71 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 69 72 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 69 73 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 65 74 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 65 75 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 65 76 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 65 77 Na 0.25000000000000 0.25000000000000 0.75000000000000 22.990 > 69 78 Na 0.75000000000000 0.25000000000000 0.75000000000000 22.990 > 69 79 Na 0.25000000000000 0.75000000000000 0.75000000000000 22.990 > 69 80 Na 0.75000000000000 0.75000000000000 0.75000000000000 22.990 > 69 81 Au 0.00000000000000 0.25000000000000 0.00000000000000 196.967 > 81 82 Au 0.50000000000000 0.25000000000000 0.00000000000000 196.967 > 81 83 Au 0.00000000000000 0.75000000000000 0.00000000000000 196.967 > 81 84 Au 0.50000000000000 0.75000000000000 0.00000000000000 196.967 > 81 85 Au 0.25000000000000 0.00000000000000 0.00000000000000 196.967 > 85 86 Au 0.75000000000000 0.00000000000000 0.00000000000000 196.967 > 85 87 Au 0.25000000000000 0.50000000000000 0.00000000000000 196.967 > 85 88 Au 0.75000000000000 0.50000000000000 0.00000000000000 196.967 > 85 89 Au 0.25000000000000 0.00000000000000 0.50000000000000 196.967 > 81 90 Au 0.75000000000000 0.00000000000000 0.50000000000000 196.967 > 81 91 Au 0.25000000000000 0.50000000000000 0.50000000000000 196.967 > 81 92 Au 0.75000000000000 0.50000000000000 0.50000000000000 196.967 > 81 93 Au 0.00000000000000 0.25000000000000 0.50000000000000 196.967 > 85 94 Au 0.50000000000000 0.25000000000000 0.50000000000000 196.967 > 85 95 Au 0.00000000000000 0.75000000000000 0.50000000000000 196.967 > 85 96 Au 0.50000000000000 0.75000000000000 0.50000000000000 196.967 > 85----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.5168009 0.0000000 0.0000000 0.0000000 2.5168009 0.0000000 0.0000000 0.0000000 2.6700647-------------------------- Born effective charges -------------------------- 1 F -0.8011766 0.3025433 -0.3625292 0.3025433 -0.8011766 0.3625292 -0.3306453 0.3306453 -0.9028904 2 F -0.8011766 0.3025433 0.3625292 0.3025433 -0.8011766 -0.3625292 0.3306453 -0.3306453 -0.9028904 3 F -0.8011766 0.3025433 -0.3625292 0.3025433 -0.8011766 0.3625292 -0.3306453 0.3306453 -0.9028904 4 F -0.8011766 -0.3025433 0.3625292 -0.3025433 -0.8011766 0.3625292 0.3306453 0.3306453 -0.9028904 5 F -0.8011766 0.3025433 0.3625292 0.3025433 -0.8011766 -0.3625292 0.3306453 -0.3306453 -0.9028904 6 F -0.8011766 -0.3025433 -0.3625292 -0.3025433 -0.8011766 -0.3625292 -0.3306453 -0.3306453 -0.9028904 7 F -0.8011766 -0.3025433 0.3625292 -0.3025433 -0.8011766 0.3625292 0.3306453 0.3306453 -0.9028904 8 F -0.8011766 -0.3025433 -0.3625292 -0.3025433 -0.8011766 -0.3625292 -0.3306453 -0.3306453 -0.9028904 9 Na 1.1633797 0.0000000 0.0000000 0.0000000 1.1633797 0.0000000 0.0000000 0.0000000 1.3890765 10 Na 1.1633797 0.0000000 0.0000000 0.0000000 1.1633797 0.0000000 0.0000000 0.0000000 1.3890765 11 Au 2.0413268 -0.6596969 0.0000000 -0.6596969 2.0413268 0.0000000 0.0000000 0.0000000 2.2224852 12 Au 2.0413268 0.6596969 0.0000000 0.6596969 2.0413268 0.0000000 0.0000000 0.0000000 2.2224852----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 65, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 81, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000001 (yzx) 0.00000001 (yzx) 0.00000001 (yxz)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (zx) 0.00000000 (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 2026-01-07 22:20:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 22:20:48]-------------------------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 2 1]Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5]Spacegroup: I4/mcm (140)------------------------------ primitive cell ------------------------------Lattice vectors: a -2.824556504999999 2.824556504999999 5.236422735000000 b 2.824556504999999 -2.824556504999999 5.236422735000000 c 2.824556504999999 2.824556504999999 -5.236422735000000Atomic positions (fractional): 1 F 0.54320024971605 0.69699572011515 0.50000000000000 18.998 2 F 0.80300427988485 0.95679975028395 0.50000000000000 18.998 3 F 0.45679975028395 0.30300427988485 0.50000000000000 18.998 4 F 0.95679975028395 0.45679975028395 0.15379547039910 18.998 5 F 0.19699572011515 0.04320024971605 0.50000000000000 18.998 6 F 0.69699572011515 0.19699572011515 0.15379547039910 18.998 7 F 0.04320024971605 0.54320024971605 0.84620452960090 18.998 8 F 0.30300427988485 0.80300427988485 0.84620452960090 18.998 9 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 10 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 11 Au 0.50000000000000 0.00000000000000 0.50000000000000 196.967 12 Au 0.00000000000000 0.50000000000000 0.50000000000000 196.967-------------------------------- supercell ---------------------------------Lattice vectors: a 11.298226019999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.298226019999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.472845469999999Atomic positions (fractional): 1 F 0.16344886759977 0.08655113240023 0.37009798491560 18.998 > 1 2 F 0.66344886759977 0.08655113240023 0.37009798491560 18.998 > 1 3 F 0.16344886759977 0.58655113240023 0.37009798491560 18.998 > 1 4 F 0.66344886759977 0.58655113240023 0.37009798491560 18.998 > 1 5 F 0.41344886759977 0.33655113240023 0.12990201508440 18.998 > 5 6 F 0.91344886759977 0.33655113240023 0.12990201508440 18.998 > 5 7 F 0.41344886759977 0.83655113240023 0.12990201508440 18.998 > 5 8 F 0.91344886759977 0.83655113240023 0.12990201508440 18.998 > 5 9 F 0.08655113240023 0.16344886759977 0.12990201508440 18.998 > 9 10 F 0.58655113240023 0.16344886759977 0.12990201508440 18.998 > 9 11 F 0.08655113240023 0.66344886759977 0.12990201508440 18.998 > 9 12 F 0.58655113240023 0.66344886759977 0.12990201508440 18.998 > 9 13 F 0.16344886759977 0.41344886759977 0.12990201508440 18.998 > 13 14 F 0.66344886759977 0.41344886759977 0.12990201508440 18.998 > 13 15 F 0.16344886759977 0.91344886759977 0.12990201508440 18.998 > 13 16 F 0.66344886759977 0.91344886759977 0.12990201508440 18.998 > 13 17 F 0.33655113240023 0.41344886759977 0.37009798491560 18.998 > 17 18 F 0.83655113240023 0.41344886759977 0.37009798491560 18.998 > 17 19 F 0.33655113240023 0.91344886759977 0.37009798491560 18.998 > 17 20 F 0.83655113240023 0.91344886759977 0.37009798491560 18.998 > 17 21 F 0.41344886759977 0.16344886759977 0.37009798491560 18.998 > 21 22 F 0.91344886759977 0.16344886759977 0.37009798491560 18.998 > 21 23 F 0.41344886759977 0.66344886759977 0.37009798491560 18.998 > 21 24 F 0.91344886759977 0.66344886759977 0.37009798491560 18.998 > 21 25 F 0.08655113240023 0.33655113240023 0.37009798491560 18.998 > 25 26 F 0.58655113240023 0.33655113240023 0.37009798491560 18.998 > 25 27 F 0.08655113240023 0.83655113240023 0.37009798491560 18.998 > 25 28 F 0.58655113240023 0.83655113240023 0.37009798491560 18.998 > 25 29 F 0.33655113240023 0.08655113240023 0.12990201508440 18.998 > 29 30 F 0.83655113240023 0.08655113240023 0.12990201508440 18.998 > 29 31 F 0.33655113240023 0.58655113240023 0.12990201508440 18.998 > 29 32 F 0.83655113240023 0.58655113240023 0.12990201508440 18.998 > 29 33 F 0.41344886759977 0.33655113240023 0.87009798491560 18.998 > 1 34 F 0.91344886759977 0.33655113240023 0.87009798491560 18.998 > 1 35 F 0.41344886759977 0.83655113240023 0.87009798491560 18.998 > 1 36 F 0.91344886759977 0.83655113240023 0.87009798491560 18.998 > 1 37 F 0.16344886759977 0.08655113240023 0.62990201508440 18.998 > 5 38 F 0.66344886759977 0.08655113240023 0.62990201508440 18.998 > 5 39 F 0.16344886759977 0.58655113240023 0.62990201508440 18.998 > 5 40 F 0.66344886759977 0.58655113240023 0.62990201508440 18.998 > 5 41 F 0.33655113240023 0.41344886759977 0.62990201508440 18.998 > 9 42 F 0.83655113240023 0.41344886759977 0.62990201508440 18.998 > 9 43 F 0.33655113240023 0.91344886759977 0.62990201508440 18.998 > 9 44 F 0.83655113240023 0.91344886759977 0.62990201508440 18.998 > 9 45 F 0.41344886759977 0.16344886759977 0.62990201508440 18.998 > 13 46 F 0.91344886759977 0.16344886759977 0.62990201508440 18.998 > 13 47 F 0.41344886759977 0.66344886759977 0.62990201508440 18.998 > 13 48 F 0.91344886759977 0.66344886759977 0.62990201508440 18.998 > 13 49 F 0.08655113240023 0.16344886759977 0.87009798491560 18.998 > 17 50 F 0.58655113240023 0.16344886759977 0.87009798491560 18.998 > 17 51 F 0.08655113240023 0.66344886759977 0.87009798491560 18.998 > 17 52 F 0.58655113240023 0.66344886759977 0.87009798491560 18.998 > 17 53 F 0.16344886759977 0.41344886759977 0.87009798491560 18.998 > 21 54 F 0.66344886759977 0.41344886759977 0.87009798491560 18.998 > 21 55 F 0.16344886759977 0.91344886759977 0.87009798491560 18.998 > 21 56 F 0.66344886759977 0.91344886759977 0.87009798491560 18.998 > 21 57 F 0.33655113240023 0.08655113240023 0.87009798491560 18.998 > 25 58 F 0.83655113240023 0.08655113240023 0.87009798491560 18.998 > 25 59 F 0.33655113240023 0.58655113240023 0.87009798491560 18.998 > 25 60 F 0.83655113240023 0.58655113240023 0.87009798491560 18.998 > 25 61 F 0.08655113240023 0.33655113240023 0.62990201508440 18.998 > 29 62 F 0.58655113240023 0.33655113240023 0.62990201508440 18.998 > 29 63 F 0.08655113240023 0.83655113240023 0.62990201508440 18.998 > 29 64 F 0.58655113240023 0.83655113240023 0.62990201508440 18.998 > 29 65 Na 0.25000000000000 0.25000000000000 0.25000000000000 22.990 > 65 66 Na 0.75000000000000 0.25000000000000 0.25000000000000 22.990 > 65 67 Na 0.25000000000000 0.75000000000000 0.25000000000000 22.990 > 65 68 Na 0.75000000000000 0.75000000000000 0.25000000000000 22.990 > 65 69 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 69 70 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 69 71 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 69 72 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 69 73 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 65 74 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 65 75 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 65 76 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 65 77 Na 0.25000000000000 0.25000000000000 0.75000000000000 22.990 > 69 78 Na 0.75000000000000 0.25000000000000 0.75000000000000 22.990 > 69 79 Na 0.25000000000000 0.75000000000000 0.75000000000000 22.990 > 69 80 Na 0.75000000000000 0.75000000000000 0.75000000000000 22.990 > 69 81 Au 0.00000000000000 0.25000000000000 0.00000000000000 196.967 > 81 82 Au 0.50000000000000 0.25000000000000 0.00000000000000 196.967 > 81 83 Au 0.00000000000000 0.75000000000000 0.00000000000000 196.967 > 81 84 Au 0.50000000000000 0.75000000000000 0.00000000000000 196.967 > 81 85 Au 0.25000000000000 0.00000000000000 0.00000000000000 196.967 > 85 86 Au 0.75000000000000 0.00000000000000 0.00000000000000 196.967 > 85 87 Au 0.25000000000000 0.50000000000000 0.00000000000000 196.967 > 85 88 Au 0.75000000000000 0.50000000000000 0.00000000000000 196.967 > 85 89 Au 0.25000000000000 0.00000000000000 0.50000000000000 196.967 > 81 90 Au 0.75000000000000 0.00000000000000 0.50000000000000 196.967 > 81 91 Au 0.25000000000000 0.50000000000000 0.50000000000000 196.967 > 81 92 Au 0.75000000000000 0.50000000000000 0.50000000000000 196.967 > 81 93 Au 0.00000000000000 0.25000000000000 0.50000000000000 196.967 > 85 94 Au 0.50000000000000 0.25000000000000 0.50000000000000 196.967 > 85 95 Au 0.00000000000000 0.75000000000000 0.50000000000000 196.967 > 85 96 Au 0.50000000000000 0.75000000000000 0.50000000000000 196.967 > 85----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 2.5168009 0.0000000 0.0000000 0.0000000 2.5168009 0.0000000 0.0000000 0.0000000 2.6700647-------------------------- Born effective charges -------------------------- 1 F -0.8011766 0.3025433 -0.3625292 0.3025433 -0.8011766 0.3625292 -0.3306453 0.3306453 -0.9028904 2 F -0.8011766 0.3025433 0.3625292 0.3025433 -0.8011766 -0.3625292 0.3306453 -0.3306453 -0.9028904 3 F -0.8011766 0.3025433 -0.3625292 0.3025433 -0.8011766 0.3625292 -0.3306453 0.3306453 -0.9028904 4 F -0.8011766 -0.3025433 0.3625292 -0.3025433 -0.8011766 0.3625292 0.3306453 0.3306453 -0.9028904 5 F -0.8011766 0.3025433 0.3625292 0.3025433 -0.8011766 -0.3625292 0.3306453 -0.3306453 -0.9028904 6 F -0.8011766 -0.3025433 -0.3625292 -0.3025433 -0.8011766 -0.3625292 -0.3306453 -0.3306453 -0.9028904 7 F -0.8011766 -0.3025433 0.3625292 -0.3025433 -0.8011766 0.3625292 0.3306453 0.3306453 -0.9028904 8 F -0.8011766 -0.3025433 -0.3625292 -0.3025433 -0.8011766 -0.3625292 -0.3306453 -0.3306453 -0.9028904 9 Na 1.1633797 0.0000000 0.0000000 0.0000000 1.1633797 0.0000000 0.0000000 0.0000000 1.3890765 10 Na 1.1633797 0.0000000 0.0000000 0.0000000 1.1633797 0.0000000 0.0000000 0.0000000 1.3890765 11 Au 2.0413268 -0.6596969 0.0000000 -0.6596969 2.0413268 0.0000000 0.0000000 0.0000000 2.2224852 12 Au 2.0413268 0.6596969 0.0000000 0.6596969 2.0413268 0.0000000 0.0000000 0.0000000 2.2224852----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000001 (yzx) 0.00000001 (yzx) 0.00000001 (yxz)Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... Generalized regular grid: [ 1 9 90 ]Grid generation matrix: [ 0 9 9 ] [ 9 0 9 ] [ 5 5 0 ]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: 0.75, Number of G-points: 291, Lambda: 0.13Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/90) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90Calculating 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 1.623 ( 0.000 0.000 0.000) 0.000 2.578 ( 0.000 0.000 0.000) 0.000 2.578 ( 0.000 0.000 0.000) 0.000 3.109 ( 0.000 0.000 0.000) 0.000 3.109 ( 0.000 0.000 0.000) 0.000 3.265 ( 0.000 0.000 0.000) 0.000 4.136 ( 0.000 0.000 0.000) 0.000 4.136 ( 0.000 0.000 0.000) 0.000 4.140 ( 0.000 0.000 0.000) 0.000 4.240 ( 0.000 0.000 0.000) 0.000 4.240 ( 0.000 0.000 0.000) 0.000 4.712 ( 0.000 0.000 0.000) 0.000 4.953 ( 0.000 0.000 0.000) 0.000 4.953 ( 0.000 0.000 0.000) 0.000 5.410 ( 0.000 0.000 0.000) 0.000 6.180 ( 0.000 0.000 0.000) 0.000 6.278 ( 0.000 0.000 0.000) 0.000 6.655 ( 0.000 0.000 0.000) 0.000 6.980 ( 0.000 0.000 0.000) 0.000 7.221 ( 0.000 0.000 0.000) 0.000 7.221 ( 0.000 0.000 0.000) 0.000 7.715 ( 0.000 0.000 0.000) 0.000 7.761 ( 0.000 0.000 0.000) 0.000 7.839 ( 0.000 0.000 0.000) 0.000 7.839 ( 0.000 0.000 0.000) 0.000 16.262 ( 0.000 0.000 0.000) 0.000 16.262 ( 0.000 0.000 0.000) 0.000 16.884 ( 0.000 0.000 0.000) 0.000 17.093 ( 0.000 0.000 0.000) 0.000 17.174 ( 0.000 0.000 0.000) 0.000 17.195 ( 0.000 0.000 0.000) 0.000 17.195 ( 0.000 0.000 0.000) 0.000 17.341 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/90) =======================q-point: ( 0.00 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.398 ( 9.870 9.870 0.000) 13.959 0.488 ( 12.003 12.003 0.000) 16.975 0.869 ( 21.154 21.154 0.000) 29.917 1.650 ( 1.267 1.267 0.000) 1.792 2.511 ( -2.910 -2.910 0.000) 4.116 2.558 ( -5.250 -5.250 0.000) 7.424 3.129 ( 0.992 0.992 0.000) 1.403 3.157 ( 1.863 1.863 0.000) 2.635 3.302 ( 0.722 0.722 0.000) 1.021 4.066 ( -0.346 -0.346 0.000) 0.490 4.156 ( -3.406 -3.406 0.000) 4.817 4.229 ( -0.300 -0.300 0.000) 0.424 4.265 ( 3.756 3.756 0.000) 5.311 4.700 ( -0.669 -0.669 0.000) 0.946 4.807 ( -6.878 -6.878 0.000) 9.728 4.837 ( 3.379 3.379 0.000) 4.778 4.954 ( 0.046 0.046 0.000) 0.065 5.326 ( -3.933 -3.933 0.000) 5.562 6.259 ( -0.587 -0.587 0.000) 0.831 6.284 ( 4.731 4.731 0.000) 6.690 6.679 ( 1.275 1.275 0.000) 1.803 7.016 ( 1.664 1.664 0.000) 2.353 7.223 ( 0.104 0.104 0.000) 0.147 7.627 ( 1.572 1.572 0.000) 2.223 7.660 ( -2.748 -2.748 0.000) 3.887 7.754 ( -0.390 -0.390 0.000) 0.552 7.854 ( 0.632 0.632 0.000) 0.894 8.325 ( -2.992 -2.992 0.000) 4.231 16.181 ( -3.401 -3.401 0.000) 4.810 16.267 ( 0.285 0.285 0.000) 0.404 16.885 ( 0.055 0.055 0.000) 0.078 17.092 ( -0.130 -0.130 0.000) 0.183 17.207 ( 0.536 0.536 0.000) 0.758 17.240 ( 1.502 1.502 0.000) 2.124 17.376 ( 2.923 2.923 0.000) 4.134 18.179 ( -0.628 -0.628 0.000) 0.888======================= Grid point 2 (3/90) =======================q-point: ( 0.00 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.775 ( 9.372 9.372 0.000) 13.254 0.924 ( 9.864 9.864 0.000) 13.950 1.630 ( 17.104 17.104 0.000) 24.189 1.715 ( 1.963 1.963 0.000) 2.775 2.279 ( -8.410 -8.410 0.000) 11.893 2.388 ( -3.034 -3.034 0.000) 4.290 3.168 ( -2.376 -2.376 0.000) 3.360 3.178 ( 1.367 1.367 0.000) 1.934 3.241 ( -3.910 -3.910 0.000) 5.529 4.084 ( 1.010 1.010 0.000) 1.428 4.133 ( 3.177 3.177 0.000) 4.493 4.232 ( -0.340 -0.340 0.000) 0.480 4.433 ( 4.391 4.391 0.000) 6.209 4.480 ( -7.943 -7.943 0.000) 11.233 4.656 ( -1.479 -1.479 0.000) 2.092 4.962 ( 0.510 0.510 0.000) 0.721 5.018 ( 5.458 5.458 0.000) 7.719 5.153 ( -3.777 -3.777 0.000) 5.342 6.268 ( 1.311 1.311 0.000) 1.854 6.498 ( 5.579 5.579 0.000) 7.889 6.763 ( 3.125 3.125 0.000) 4.419 7.091 ( 1.905 1.905 0.000) 2.694 7.227 ( 0.060 0.060 0.000) 0.085 7.505 ( -4.961 -4.961 0.000) 7.017 7.675 ( 0.434 0.434 0.000) 0.614 7.727 ( -0.969 -0.969 0.000) 1.370 7.872 ( 0.105 0.105 0.000) 0.149 8.162 ( -5.020 -5.020 0.000) 7.099 16.047 ( -3.009 -3.009 0.000) 4.256 16.284 ( 0.564 0.564 0.000) 0.797 16.887 ( 0.019 0.019 0.000) 0.027 17.076 ( -0.772 -0.772 0.000) 1.092 17.230 ( 0.514 0.514 0.000) 0.727 17.240 ( -0.726 -0.726 0.000) 1.026 17.565 ( 5.384 5.384 0.000) 7.615 18.136 ( -1.584 -1.584 0.000) 2.240======================= Grid point 3 (4/90) =======================q-point: ( 0.00 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.136 ( 8.734 8.734 0.000) 12.352 1.238 ( 5.795 5.795 0.000) 8.196 1.807 ( 2.773 2.773 0.000) 3.921 1.945 ( -7.923 -7.923 0.000) 11.204 2.188 ( 11.002 11.002 0.000) 15.559 2.287 ( -2.012 -2.012 0.000) 2.846 2.982 ( -5.964 -5.964 0.000) 8.435 3.037 ( -5.822 -5.822 0.000) 8.234 3.226 ( 1.000 1.000 0.000) 1.415 3.992 ( -9.027 -9.027 0.000) 12.767 4.216 ( 4.198 4.198 0.000) 5.937 4.238 ( 1.297 1.297 0.000) 1.834 4.450 ( 3.975 3.975 0.000) 5.622 4.538 ( 0.755 0.755 0.000) 1.067 4.603 ( -0.795 -0.795 0.000) 1.125 4.995 ( 1.006 1.006 0.000) 1.423 5.135 ( 3.204 3.204 0.000) 4.531 5.238 ( 5.326 5.326 0.000) 7.532 6.354 ( 2.629 2.629 0.000) 3.718 6.687 ( 3.682 3.682 0.000) 5.207 6.931 ( 5.327 5.327 0.000) 7.534 7.153 ( 1.111 1.111 0.000) 1.571 7.226 ( -0.109 -0.109 0.000) 0.154 7.295 ( -5.250 -5.250 0.000) 7.425 7.642 ( -2.113 -2.113 0.000) 2.988 7.682 ( -1.237 -1.237 0.000) 1.750 7.857 ( -0.811 -0.811 0.000) 1.148 7.953 ( -5.291 -5.291 0.000) 7.483 15.957 ( -1.553 -1.553 0.000) 2.196 16.309 ( 0.626 0.626 0.000) 0.886 16.881 ( -0.408 -0.408 0.000) 0.577 17.040 ( -0.817 -0.817 0.000) 1.156 17.212 ( -0.613 -0.613 0.000) 0.866 17.243 ( 0.146 0.146 0.000) 0.207 17.749 ( 3.699 3.699 0.000) 5.231 18.060 ( -2.099 -2.099 0.000) 2.968======================= Grid point 4 (5/90) =======================q-point: ( 0.00 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.377 ( 1.521 1.521 0.000) 2.151 1.415 ( 4.462 4.462 0.000) 6.310 1.710 ( -3.364 -3.364 0.000) 4.758 1.914 ( 2.011 2.011 0.000) 2.844 2.233 ( -0.691 -0.691 0.000) 0.978 2.481 ( 3.762 3.762 0.000) 5.320 2.785 ( -3.137 -3.137 0.000) 4.436 2.838 ( -3.367 -3.367 0.000) 4.761 3.255 ( 0.449 0.449 0.000) 0.635 3.715 ( -4.086 -4.086 0.000) 5.778 4.229 ( -0.816 -0.816 0.000) 1.154 4.317 ( 0.821 0.821 0.000) 1.161 4.560 ( 0.535 0.535 0.000) 0.756 4.603 ( 2.625 2.625 0.000) 3.712 4.617 ( 0.981 0.981 0.000) 1.387 5.028 ( 0.510 0.510 0.000) 0.722 5.287 ( 2.794 2.794 0.000) 3.952 5.400 ( 2.394 2.394 0.000) 3.386 6.439 ( 1.303 1.303 0.000) 1.843 6.772 ( 0.739 0.739 0.000) 1.045 7.141 ( -2.039 -2.039 0.000) 2.884 7.143 ( 4.340 4.340 0.000) 6.138 7.178 ( 0.254 0.254 0.000) 0.359 7.220 ( -0.164 -0.164 0.000) 0.232 7.536 ( -2.499 -2.499 0.000) 3.534 7.643 ( -0.567 -0.567 0.000) 0.803 7.779 ( -2.894 -2.894 0.000) 4.092 7.825 ( -0.557 -0.557 0.000) 0.788 15.920 ( -0.425 -0.425 0.000) 0.600 16.328 ( 0.282 0.282 0.000) 0.399 16.859 ( -0.483 -0.483 0.000) 0.683 17.023 ( -0.111 -0.111 0.000) 0.157 17.196 ( -0.199 -0.199 0.000) 0.281 17.244 ( -0.021 -0.021 0.000) 0.030 17.847 ( 1.251 1.251 0.000) 1.769 17.992 ( -1.049 -1.049 0.000) 1.484======================= Grid point 9 (6/90) =======================q-point: ( 0.21 -0.01 0.01)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.708 ( 0.000 15.665 3.818) 16.123 0.826 ( 0.000 17.211 5.778) 18.155 1.246 ( 0.000 20.696 13.579) 24.753 1.695 ( 0.000 1.217 2.296) 2.599 2.423 ( -0.000 -6.344 -0.263) 6.349 2.441 ( -0.000 -7.203 -3.929) 8.204 3.120 ( -0.000 2.887 -4.406) 5.268 3.134 ( -0.000 3.937 -5.437) 6.713 3.431 ( 0.000 7.988 -1.606) 8.148 3.901 ( -0.000 -0.354 -10.391) 10.397 4.043 ( -0.000 -4.624 -4.433) 6.406 4.164 ( -0.000 0.723 -0.212) 0.753 4.498 ( 0.000 -0.168 12.012) 12.013 4.543 ( -0.000 3.398 -1.739) 3.817 4.821 ( -0.000 -5.207 -1.562) 5.437 4.847 ( 0.000 -3.939 1.443) 4.196 5.202 ( 0.000 -8.887 18.803) 20.798 5.296 ( 0.000 -6.461 5.006) 8.173 6.219 ( 0.000 -4.143 4.779) 6.325 6.393 ( 0.000 8.546 1.429) 8.665 6.583 ( -0.000 1.602 -8.713) 8.859 7.141 ( 0.000 2.953 7.123) 7.710 7.320 ( 0.000 3.330 1.553) 3.675 7.582 ( -0.000 -5.519 -2.400) 6.019 7.606 ( 0.000 0.764 0.651) 1.004 7.723 ( -0.000 -0.845 -2.353) 2.500 7.846 ( -0.000 1.149 -1.527) 1.911 8.162 ( -0.000 -0.162 -10.886) 10.887 16.141 ( -0.000 -2.455 -2.904) 3.803 16.239 ( 0.000 -2.276 1.542) 2.749 16.849 ( -0.000 0.719 -3.446) 3.520 16.956 ( 0.000 -4.172 2.479) 4.853 17.287 ( -0.000 5.933 -3.179) 6.731 17.365 ( 0.000 1.358 2.128) 2.524 17.510 ( 0.000 7.385 6.471) 9.819 18.230 ( 0.000 -6.192 6.791) 9.190======================= Grid point 10 (7/90) =======================q-point: ( 0.21 -0.01 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.031 ( 1.073 14.781 1.808) 14.930 1.141 ( -0.136 15.619 5.491) 16.557 1.677 ( 2.481 6.660 0.142) 7.108 1.787 ( 8.248 9.691 4.641) 13.546 2.197 ( -5.420 -9.551 -1.927) 11.150 2.323 ( 0.859 -5.734 -0.316) 5.807 3.153 ( -1.058 0.762 -2.043) 2.423 3.180 ( -1.699 0.192 -1.597) 2.339 3.460 ( -10.791 5.736 -0.361) 12.226 3.881 ( 2.376 -6.555 -3.743) 7.913 4.048 ( 8.411 0.051 -3.308) 9.038 4.169 ( -0.146 0.502 -0.312) 0.609 4.517 ( -3.454 3.279 0.698) 4.813 4.560 ( -2.595 -3.211 0.929) 4.232 4.633 ( 0.178 -0.715 1.305) 1.499 4.893 ( 6.394 -3.032 -1.677) 7.272 5.130 ( -0.701 0.606 5.945) 6.017 5.166 ( 0.123 -3.056 8.581) 9.110 6.192 ( 4.984 -3.467 4.783) 7.729 6.577 ( 2.478 6.196 -3.472) 7.523 6.664 ( 1.448 5.665 -4.807) 7.569 7.211 ( 0.564 3.202 7.115) 7.822 7.341 ( -3.293 2.452 0.679) 4.161 7.432 ( -2.308 -6.382 -1.396) 6.929 7.639 ( 1.647 -0.646 0.069) 1.771 7.696 ( -0.299 -1.619 -2.053) 2.632 7.864 ( -0.318 0.529 -0.977) 1.156 8.083 ( -2.673 -4.309 -5.433) 7.432 16.078 ( -2.055 -2.498 1.589) 3.603 16.195 ( 1.441 -2.016 -1.459) 2.876 16.867 ( -0.031 0.610 -1.886) 1.983 16.907 ( 2.810 -3.976 1.347) 5.051 17.321 ( -3.162 2.068 1.465) 4.053 17.484 ( 2.846 4.095 -2.294) 5.489 17.615 ( -3.579 8.522 4.657) 10.350 18.125 ( -0.682 -4.158 2.009) 4.668======================= Grid point 11 (8/90) =======================q-point: ( 0.21 -0.01 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.316 ( 1.199 11.496 1.750) 11.690 1.416 ( -0.414 11.953 5.519) 13.172 1.751 ( 2.610 0.606 -5.240) 5.885 1.862 ( -4.427 -9.498 -2.343) 10.737 2.204 ( 7.062 8.100 1.539) 10.856 2.245 ( 1.161 -4.201 1.421) 4.584 2.973 ( -3.976 -9.077 4.940) 11.073 3.203 ( -0.898 2.330 -2.782) 3.738 3.307 ( -13.090 4.320 3.079) 14.124 3.756 ( -1.977 -8.221 -6.152) 10.457 4.181 ( 8.718 -4.240 -2.175) 9.936 4.209 ( 3.111 0.992 -3.191) 4.566 4.460 ( -2.008 1.242 7.726) 8.079 4.601 ( -1.223 2.317 -0.002) 2.620 4.620 ( 1.051 0.509 1.717) 2.077 4.988 ( 5.419 2.716 -5.495) 8.181 5.164 ( 1.691 3.811 3.874) 5.692 5.247 ( 2.927 3.512 1.726) 4.887 6.258 ( 7.202 -2.963 4.343) 8.917 6.738 ( 4.627 3.876 -8.623) 10.525 6.825 ( 0.424 6.900 0.194) 6.916 7.205 ( -2.285 -7.750 -3.010) 8.623 7.279 ( 0.587 2.462 7.459) 7.876 7.364 ( -3.903 3.786 2.691) 6.067 7.612 ( -1.199 -2.593 -1.121) 3.068 7.649 ( -0.521 -2.191 -1.899) 2.946 7.847 ( -1.182 -0.755 -0.370) 1.450 7.926 ( -3.577 -4.433 -1.904) 6.006 15.992 ( -1.892 -1.623 2.917) 3.837 16.207 ( 2.461 -1.296 -3.321) 4.331 16.844 ( 1.236 -3.525 1.185) 3.919 16.918 ( 1.369 0.167 -1.541) 2.068 17.295 ( -2.437 1.201 2.336) 3.583 17.545 ( -4.136 4.565 5.211) 8.069 17.744 ( -0.506 7.423 -3.919) 8.409 18.028 ( -1.504 -3.498 -1.093) 3.961======================= Grid point 12 (9/90) =======================q-point: ( 0.21 -0.01 0.34)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.472 ( -0.407 3.475 2.794) 4.477 1.586 ( -0.351 1.275 -0.723) 1.507 1.632 ( -3.639 2.390 -0.316) 4.365 1.866 ( 2.690 1.512 -4.827) 5.729 2.207 ( 1.887 -2.756 2.675) 4.279 2.378 ( 2.767 0.188 -1.674) 3.240 2.759 ( 1.198 -7.918 7.218) 10.781 3.161 ( -12.024 8.154 4.515) 15.213 3.234 ( 0.902 -0.295 -0.994) 1.375 3.566 ( -3.868 -2.424 -9.784) 10.796 4.245 ( 3.831 -2.520 0.652) 4.632 4.274 ( 10.376 -8.208 -1.423) 13.306 4.406 ( -0.040 -2.595 7.631) 8.061 4.647 ( -2.287 4.074 -0.330) 4.683 4.672 ( -0.916 3.658 2.687) 4.630 5.178 ( 1.936 6.559 -3.752) 7.800 5.257 ( -2.012 3.646 -1.368) 4.383 5.348 ( 3.051 -0.108 -2.095) 3.703 6.326 ( 6.407 -4.347 3.764) 8.610 6.873 ( -0.468 2.927 0.745) 3.056 6.920 ( 2.331 0.982 -8.895) 9.248 7.067 ( 0.469 -3.213 -2.527) 4.115 7.335 ( 0.939 1.599 7.836) 8.053 7.366 ( -4.117 4.310 2.773) 6.574 7.510 ( -2.151 -2.834 -1.758) 3.969 7.608 ( 0.348 -1.511 -1.993) 2.525 7.776 ( -1.879 -2.094 0.472) 2.853 7.830 ( -1.164 -0.289 -0.290) 1.233 15.947 ( -0.500 -0.621 2.809) 2.920 16.226 ( 2.001 -1.408 -3.671) 4.412 16.804 ( 1.878 -3.172 0.989) 3.817 16.944 ( 0.493 0.357 -1.272) 1.410 17.278 ( -1.793 1.341 2.431) 3.305 17.542 ( -5.439 5.182 7.619) 10.700 17.854 ( -1.033 5.251 -5.254) 7.499 17.937 ( -1.901 -2.067 -3.945) 4.843======================= Grid point 17 (10/90) =======================q-point: ( 0.21 -0.01 -0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.512 ( -7.627 7.627 10.464) 15.028 0.582 ( -10.228 10.228 9.113) 17.096 1.042 ( -16.099 16.099 16.171) 27.925 1.683 ( -1.061 1.061 3.238) 3.569 2.498 ( 2.740 -2.740 -1.282) 4.082 2.508 ( 4.249 -4.249 -3.592) 7.001 3.054 ( -0.633 0.633 -7.733) 7.784 3.115 ( -2.861 2.861 -4.778) 6.261 3.305 ( -1.581 1.581 0.021) 2.236 3.939 ( -1.964 1.964 -9.654) 10.045 4.045 ( -0.630 0.630 -12.966) 12.997 4.155 ( -0.727 0.727 -1.206) 1.584 4.486 ( 0.726 -0.726 13.126) 13.167 4.551 ( -2.862 2.862 7.304) 8.351 4.801 ( 6.519 -6.519 -0.682) 9.244 4.950 ( -0.340 0.340 0.060) 0.485 5.357 ( 11.703 -11.703 23.938) 29.103 5.362 ( 3.846 -3.846 3.608) 6.527 6.296 ( 0.509 -0.509 3.477) 3.550 6.297 ( -4.882 4.882 1.335) 7.032 6.581 ( -0.134 0.134 -6.138) 6.141 7.111 ( -1.286 1.286 7.306) 7.529 7.244 ( -0.157 0.157 2.057) 2.069 7.621 ( -2.253 2.253 -0.480) 3.222 7.637 ( 2.802 -2.802 -2.353) 4.609 7.731 ( 0.324 -0.324 -2.372) 2.415 7.836 ( -0.752 0.752 -1.883) 2.163 8.123 ( -3.303 3.303 -15.251) 15.950 16.209 ( 2.224 -2.224 0.365) 3.166 16.214 ( -0.241 0.241 -4.978) 4.990 16.843 ( 0.178 -0.178 -3.250) 3.260 17.034 ( 0.340 -0.340 -2.421) 2.468 17.285 ( -0.623 0.623 7.508) 7.559 17.286 ( -4.138 4.138 -0.862) 5.916 17.393 ( -1.594 1.594 6.285) 6.677 18.321 ( 6.253 -6.253 9.758) 13.169======================= Grid point 18 (11/90) =======================q-point: ( 0.42 -0.02 0.02)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.338 ( 0.000 11.665 3.959) 12.318 1.515 ( 0.000 8.493 2.498) 8.853 1.647 ( -0.000 -1.423 -0.846) 1.655 1.878 ( -0.000 -4.380 -4.386) 6.198 2.113 ( 0.000 3.014 1.375) 3.313 2.212 ( 0.000 -5.067 2.256) 5.546 3.159 ( -0.000 1.248 -1.161) 1.704 3.175 ( -0.000 -0.488 -0.811) 0.947 3.623 ( 0.000 1.322 -0.162) 1.332 3.708 ( -0.000 -1.453 -6.030) 6.203 4.015 ( 0.000 6.017 4.358) 7.429 4.175 ( -0.000 -4.050 0.789) 4.126 4.519 ( 0.000 -2.764 2.228) 3.550 4.582 ( -0.000 3.031 -8.403) 8.933 4.653 ( -0.000 1.669 -2.339) 2.874 4.662 ( 0.000 -6.876 5.662) 8.908 5.238 ( 0.000 -3.074 7.542) 8.145 5.265 ( 0.000 2.333 -0.144) 2.337 6.223 ( 0.000 -2.154 9.540) 9.780 6.398 ( -0.000 1.412 -11.755) 11.840 6.888 ( 0.000 10.989 3.938) 11.674 7.180 ( -0.000 -9.912 -4.473) 10.875 7.405 ( 0.000 3.000 6.449) 7.112 7.501 ( 0.000 2.030 0.750) 2.164 7.605 ( -0.000 -1.612 -2.914) 3.330 7.613 ( -0.000 -1.221 -0.315) 1.261 7.876 ( 0.000 1.382 -0.213) 1.399 7.941 ( -0.000 -2.863 -3.386) 4.434 16.084 ( 0.000 1.385 -0.127) 1.391 16.133 ( -0.000 -3.408 0.366) 3.427 16.857 ( -0.000 2.804 -3.021) 4.122 16.860 ( 0.000 -3.754 3.476) 5.116 17.421 ( 0.000 -2.033 3.895) 4.394 17.439 ( -0.000 5.113 -5.242) 7.322 17.902 ( 0.000 7.303 3.131) 7.946 18.060 ( -0.000 -6.041 0.388) 6.053======================= Grid point 19 (12/90) =======================q-point: (-0.58 -0.02 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.463 ( 0.798 -6.525 -5.258) 8.418 1.550 ( 0.713 2.587 -2.294) 3.530 1.671 ( -1.537 -6.010 -4.620) 7.735 1.783 ( -1.208 10.793 3.110) 11.297 2.149 ( 2.323 -4.461 1.072) 5.142 2.262 ( 2.531 5.424 -0.219) 5.989 3.002 ( -4.387 -9.303 8.716) 13.482 3.169 ( 1.864 -1.954 0.863) 2.835 3.608 ( -4.129 -4.669 -2.784) 6.827 3.661 ( -1.593 3.127 0.400) 3.532 4.002 ( -2.473 -3.310 5.649) 6.999 4.127 ( -0.328 1.064 -3.595) 3.763 4.494 ( 0.209 -6.091 2.753) 6.687 4.616 ( 6.202 2.509 1.550) 6.867 4.709 ( -1.300 7.729 -5.578) 9.620 4.822 ( 5.864 7.907 -7.029) 12.096 5.215 ( 0.776 -0.650 4.000) 4.126 5.339 ( -0.239 4.948 -2.384) 5.497 6.234 ( 3.228 -0.932 8.441) 9.085 6.478 ( 4.056 2.691 -11.944) 12.898 6.965 ( -0.344 -10.664 -3.891) 11.357 7.083 ( -1.165 9.248 3.978) 10.135 7.450 ( -0.322 1.379 5.139) 5.330 7.503 ( -0.421 -0.915 -3.051) 3.213 7.568 ( -1.461 -2.153 -0.576) 2.665 7.583 ( -1.114 0.853 1.138) 1.807 7.862 ( -1.232 -3.098 0.223) 3.341 7.881 ( -0.902 -0.108 1.283) 1.572 16.056 ( -1.165 -1.957 2.897) 3.685 16.125 ( 0.605 1.018 -0.303) 1.223 16.795 ( 0.497 -3.368 3.180) 4.659 16.912 ( 0.236 2.476 -1.379) 2.844 17.377 ( -0.240 -1.511 2.297) 2.760 17.546 ( 1.189 3.893 -7.668) 8.681 17.923 ( -2.344 -4.956 -1.459) 5.673 18.023 ( -3.047 7.667 0.699) 8.280======================= Grid point 20 (13/90) =======================q-point: (-0.58 -0.02 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.314 ( 2.041 -8.671 -7.925) 11.923 1.445 ( 2.712 -6.180 -6.643) 9.470 1.748 ( 0.810 3.581 -3.182) 4.859 1.965 ( -2.703 9.485 1.443) 9.967 2.118 ( 3.415 -4.241 0.231) 5.450 2.350 ( -0.174 1.405 -0.817) 1.634 2.762 ( 0.058 -8.237 12.254) 14.765 3.168 ( 3.188 -3.106 1.863) 4.825 3.421 ( -4.434 -1.910 -4.011) 6.276 3.691 ( -5.981 6.370 4.885) 10.011 3.916 ( 5.206 -7.265 3.530) 9.609 4.152 ( 1.697 -0.915 -1.182) 2.261 4.409 ( 0.578 -2.823 2.957) 4.129 4.751 ( 0.487 4.828 -2.335) 5.385 4.802 ( -2.519 3.802 -3.865) 5.979 5.112 ( 6.436 4.356 -5.294) 9.403 5.231 ( -1.393 3.690 -3.863) 5.521 5.389 ( -3.689 2.728 -2.553) 5.251 6.277 ( 3.150 -1.619 7.236) 8.056 6.628 ( 4.339 1.898 -10.538) 11.553 6.788 ( 2.900 -8.517 -3.308) 9.586 7.191 ( -3.829 6.479 3.874) 8.464 7.428 ( -0.993 -1.360 -2.112) 2.701 7.470 ( 0.509 -2.243 -3.976) 4.594 7.516 ( -0.909 0.371 4.974) 5.070 7.587 ( -2.124 2.343 3.258) 4.540 7.790 ( -0.542 -1.660 2.073) 2.710 7.857 ( -0.522 -0.475 2.344) 2.448 16.015 ( -0.258 -0.744 4.626) 4.692 16.145 ( 0.106 0.287 -0.915) 0.964 16.752 ( 0.926 -2.199 2.472) 3.436 16.953 ( -0.222 1.410 -0.077) 1.430 17.359 ( 0.249 -0.465 2.371) 2.429 17.644 ( 2.085 3.148 -7.146) 8.082 17.774 ( -2.817 -4.436 -5.615) 7.690 18.091 ( -6.338 8.283 -0.355) 10.436======================= Grid point 24 (14/90) =======================q-point: ( 0.42 -0.02 -0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.119 ( -12.277 2.022 7.196) 14.374 1.260 ( -13.345 0.702 7.193) 15.176 1.698 ( 1.491 -0.232 1.597) 2.197 1.876 ( -7.918 7.617 4.104) 11.728 2.152 ( 8.196 -4.184 -2.223) 9.467 2.331 ( 4.299 0.758 0.901) 4.458 3.025 ( -6.884 -3.098 -9.961) 12.498 3.159 ( -2.293 1.850 -2.487) 3.855 3.470 ( -4.747 -6.632 1.466) 8.286 3.772 ( 2.205 3.572 -5.911) 7.250 4.002 ( -3.918 3.735 -3.651) 6.529 4.147 ( 1.412 -4.207 -0.462) 4.462 4.470 ( 0.360 -3.972 -1.779) 4.367 4.650 ( 3.199 3.221 4.484) 6.381 4.701 ( 3.069 0.200 5.351) 6.172 4.902 ( 6.721 6.518 2.680) 9.738 5.225 ( 2.500 -3.292 3.733) 5.570 5.331 ( 4.293 -0.282 7.584) 8.719 6.312 ( 1.683 3.382 5.580) 6.739 6.423 ( 1.017 3.452 -6.588) 7.507 6.679 ( -10.497 1.205 3.191) 11.037 7.323 ( 5.241 -2.293 -2.973) 6.447 7.346 ( -3.147 0.557 6.549) 7.287 7.429 ( -0.929 -2.477 1.505) 3.043 7.622 ( 1.067 -0.493 -3.165) 3.376 7.650 ( 1.345 0.640 -1.666) 2.234 7.837 ( -1.494 -0.406 -1.793) 2.369 7.962 ( 0.772 -1.469 -6.383) 6.595 16.077 ( 0.256 0.820 -1.941) 2.122 16.172 ( 1.899 -2.037 -1.007) 2.962 16.805 ( -2.230 0.003 -3.738) 4.352 16.941 ( 3.258 0.635 1.517) 3.650 17.365 ( -3.085 2.314 -0.501) 3.889 17.463 ( 0.903 0.836 4.901) 5.054 17.729 ( -6.643 -3.396 5.892) 9.506 18.164 ( 6.749 -2.482 1.877) 7.432======================= Grid point 25 (15/90) =======================q-point: ( 0.42 -0.02 -0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.989 ( -6.862 6.862 9.305) 13.444 1.133 ( -8.656 8.656 8.671) 15.001 1.704 ( -1.763 1.763 5.460) 6.002 1.880 ( -8.753 8.753 4.985) 13.344 2.209 ( 7.596 -7.596 -1.961) 10.920 2.378 ( 2.001 -2.001 -0.303) 2.845 2.900 ( -2.164 2.164 -12.300) 12.676 3.157 ( -2.687 2.687 -2.909) 4.786 3.343 ( 1.183 -1.183 3.040) 3.470 3.898 ( -3.177 3.177 -7.189) 8.478 3.906 ( -1.291 1.291 -8.857) 9.043 4.138 ( 0.755 -0.755 -0.129) 1.076 4.440 ( 3.831 -3.831 0.233) 5.422 4.733 ( -0.090 0.090 5.912) 5.914 4.734 ( 1.566 -1.566 7.080) 7.418 5.028 ( -2.504 2.504 2.916) 4.587 5.255 ( 6.059 -6.059 5.552) 10.211 5.353 ( 3.885 -3.885 8.031) 9.731 6.365 ( -2.232 2.232 -2.564) 4.067 6.507 ( -0.350 0.350 1.044) 1.156 6.572 ( -6.265 6.265 3.314) 9.459 7.298 ( 0.541 -0.541 2.406) 2.524 7.318 ( -2.013 2.013 6.612) 7.199 7.427 ( 4.130 -4.130 -2.928) 6.534 7.628 ( 0.673 -0.673 -3.933) 4.047 7.673 ( 0.608 -0.608 -1.819) 2.012 7.820 ( -0.529 0.529 -2.579) 2.685 7.943 ( 0.449 -0.449 -7.385) 7.413 16.114 ( -0.323 0.323 -6.215) 6.232 16.142 ( 1.843 -1.843 1.576) 3.046 16.781 ( -0.737 0.737 -3.576) 3.725 16.982 ( 1.038 -1.038 -0.473) 1.542 17.392 ( -3.313 3.313 -4.395) 6.424 17.499 ( -0.990 0.990 10.637) 10.728 17.572 ( 0.320 -0.320 8.722) 8.734 18.210 ( 5.641 -5.641 2.348) 8.316======================= Grid point 27 (16/90) =======================q-point: (-0.37 -0.03 0.03)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.095 ( -0.000 -12.652 -7.170) 14.542 1.263 ( -0.000 -14.313 -7.297) 16.066 1.714 ( 0.000 2.894 -0.107) 2.896 1.779 ( -0.000 -10.972 -7.004) 13.017 2.201 ( 0.000 8.458 3.612) 9.197 2.317 ( -0.000 5.433 -1.616) 5.668 3.086 ( 0.000 -5.458 7.207) 9.040 3.109 ( 0.000 -6.182 7.006) 9.344 3.552 ( -0.000 -6.144 0.764) 6.191 3.729 ( 0.000 0.758 6.261) 6.307 3.953 ( 0.000 -1.277 0.370) 1.329 4.195 ( -0.000 -1.255 -0.726) 1.450 4.544 ( 0.000 0.962 0.954) 1.355 4.609 ( -0.000 6.076 -2.361) 6.519 4.692 ( -0.000 4.376 -2.918) 5.260 4.816 ( -0.000 6.286 -4.763) 7.887 5.276 ( -0.000 4.314 -3.974) 5.865 5.318 ( -0.000 4.846 -7.861) 9.235 6.279 ( -0.000 3.396 -9.379) 9.975 6.385 ( 0.000 0.292 9.311) 9.316 6.668 ( -0.000 -11.242 -3.046) 11.647 7.341 ( -0.000 -3.445 -6.621) 7.464 7.347 ( 0.000 6.038 3.344) 6.902 7.458 ( -0.000 -1.134 -1.131) 1.602 7.629 ( -0.000 0.307 -0.476) 0.566 7.636 ( 0.000 1.321 4.271) 4.471 7.842 ( 0.000 -1.935 1.766) 2.620 7.978 ( 0.000 0.502 7.120) 7.138 16.068 ( 0.000 -0.209 1.976) 1.987 16.195 ( 0.000 2.450 1.246) 2.749 16.806 ( 0.000 -2.108 3.746) 4.298 16.932 ( -0.000 3.386 -2.389) 4.144 17.342 ( 0.000 -4.483 1.997) 4.907 17.455 ( -0.000 1.304 -6.393) 6.524 17.764 ( -0.000 -6.861 -4.744) 8.341 18.189 ( -0.000 7.258 -2.887) 7.812======================= Grid point 28 (17/90) =======================q-point: (-0.37 -0.03 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.895 ( 3.250 -9.912 -10.627) 14.890 1.006 ( 3.550 -12.137 -10.358) 16.347 1.614 ( 6.477 -10.461 -12.804) 17.758 1.769 ( 2.362 -1.041 -3.187) 4.101 2.325 ( -4.062 8.197 2.713) 9.543 2.409 ( -1.049 3.569 0.650) 3.777 2.901 ( -2.111 -5.130 12.842) 13.989 3.074 ( 5.263 -5.730 7.740) 10.975 3.378 ( -2.134 -4.621 -0.815) 5.155 3.795 ( 4.715 0.351 7.006) 8.452 3.908 ( -0.097 -5.036 7.580) 9.101 4.155 ( -0.532 -0.611 0.106) 0.817 4.559 ( -6.553 7.823 -2.285) 10.457 4.726 ( 0.193 3.844 -5.908) 7.051 4.751 ( -0.820 1.936 -9.162) 9.401 4.961 ( 4.393 0.279 -1.438) 4.631 5.348 ( -4.341 7.701 -5.981) 10.673 5.437 ( -2.813 6.980 -7.714) 10.777 6.336 ( 0.268 1.252 -1.389) 1.889 6.468 ( 3.419 -0.314 -3.045) 4.589 6.487 ( 2.327 -5.246 -0.347) 5.749 7.287 ( 1.091 -2.647 -6.601) 7.195 7.327 ( -2.230 -2.244 -2.780) 4.211 7.495 ( -2.486 5.005 3.715) 6.711 7.634 ( 0.221 0.103 2.438) 2.450 7.666 ( 1.056 0.300 2.159) 2.423 7.809 ( 0.494 -1.361 2.835) 3.183 7.947 ( -0.021 -2.530 9.708) 10.032 16.091 ( 1.399 1.001 4.414) 4.737 16.188 ( -2.160 -0.519 2.512) 3.353 16.779 ( -0.386 -0.252 3.104) 3.138 16.988 ( 0.219 1.398 0.572) 1.526 17.317 ( 3.575 -1.543 -0.446) 3.920 17.474 ( 0.751 -0.072 -8.536) 8.569 17.610 ( -2.093 -5.174 -7.361) 9.238 18.309 ( -4.061 8.021 -4.652) 10.122======================= Grid point 31 (18/90) =======================q-point: (-0.37 -0.03 0.48)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.355 ( 11.137 1.545 -4.670) 12.175 1.516 ( 11.473 0.001 -3.256) 11.926 1.633 ( -3.650 -0.436 2.001) 4.185 1.863 ( -9.025 -2.063 4.509) 10.297 2.139 ( 6.304 3.091 -1.781) 7.243 2.242 ( -4.693 2.269 -1.820) 5.521 3.135 ( -0.242 -2.112 -0.032) 2.126 3.150 ( 0.279 -2.205 1.817) 2.870 3.569 ( 5.274 -6.850 -0.695) 8.673 3.703 ( -4.512 -0.496 3.368) 5.652 4.035 ( -0.478 3.603 -3.252) 4.877 4.128 ( -0.353 -3.323 4.761) 5.817 4.537 ( 6.138 0.430 2.051) 6.486 4.601 ( -3.006 3.123 -3.343) 5.474 4.654 ( -1.660 0.461 -3.607) 3.998 4.754 ( -4.241 6.879 3.727) 8.899 5.236 ( 0.899 -0.235 -4.108) 4.212 5.270 ( -0.377 0.472 -2.442) 2.516 6.268 ( -2.331 4.435 -9.095) 10.384 6.433 ( 1.653 3.443 11.569) 12.183 6.886 ( 10.344 -0.186 -3.973) 11.082 7.167 ( -9.412 -1.319 4.447) 10.493 7.406 ( 2.807 0.118 -6.351) 6.944 7.479 ( 2.712 -2.121 -1.746) 3.860 7.594 ( -1.547 -0.740 2.804) 3.287 7.615 ( -2.153 -0.332 1.624) 2.717 7.865 ( 1.192 -1.046 0.198) 1.598 7.926 ( -2.700 -1.539 3.035) 4.344 16.079 ( 0.082 -0.580 -1.356) 1.477 16.129 ( -1.897 -0.296 1.391) 2.371 16.855 ( 1.847 0.006 1.745) 2.541 16.871 ( -2.834 0.829 -1.587) 3.352 17.403 ( -0.413 -0.629 -4.884) 4.942 17.472 ( 2.910 2.200 5.425) 6.538 17.865 ( 7.170 -3.606 -4.196) 9.056 18.041 ( -5.767 -1.917 0.777) 6.127======================= Grid point 32 (19/90) =======================q-point: ( 0.63 -0.03 -0.41)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.488 ( -6.341 1.538 2.458) 6.973 1.546 ( -3.234 -0.453 0.990) 3.412 1.679 ( 0.623 1.402 5.725) 5.927 1.745 ( 11.624 -1.837 -2.477) 12.026 2.208 ( -4.178 3.252 -1.897) 5.624 2.310 ( 2.990 1.989 1.121) 3.762 2.937 ( -8.874 -2.045 -9.728) 13.325 3.182 ( 1.593 -0.156 3.054) 3.448 3.475 ( -1.924 -8.908 0.678) 9.138 3.544 ( 5.438 -9.059 0.516) 10.578 4.061 ( -6.793 7.940 -2.367) 10.714 4.172 ( -0.090 4.134 1.692) 4.467 4.505 ( -6.047 0.995 -3.577) 7.096 4.665 ( 4.520 -1.725 1.998) 5.234 4.727 ( 2.584 3.652 -3.224) 5.514 4.946 ( 8.437 5.585 8.360) 13.125 5.242 ( -1.742 1.967 -0.291) 2.643 5.322 ( 3.973 -1.614 1.397) 4.510 6.324 ( -2.893 5.641 -8.548) 10.642 6.579 ( 2.826 5.811 11.393) 13.098 6.958 ( -8.041 -0.311 2.608) 8.459 7.052 ( 7.086 -1.885 -2.925) 7.894 7.442 ( 0.536 -0.423 -3.394) 3.462 7.483 ( 1.844 -1.930 -0.113) 2.672 7.531 ( -2.209 -2.147 -0.018) 3.080 7.560 ( -0.478 -0.895 1.052) 1.462 7.830 ( -2.175 -1.944 -0.771) 3.017 7.857 ( 0.261 -1.520 -0.527) 1.630 16.035 ( -1.244 -0.878 -4.392) 4.649 16.134 ( 0.619 0.310 3.106) 3.182 16.809 ( -3.392 0.843 -2.432) 4.258 16.914 ( 2.429 -0.099 1.721) 2.979 17.376 ( -1.272 0.305 -5.757) 5.904 17.579 ( 3.343 2.021 7.471) 8.431 17.859 ( -2.840 -3.961 0.982) 4.972 17.941 ( 5.575 -5.085 0.725) 7.581======================= Grid point 33 (20/90) =======================q-point: ( 0.63 -0.03 -0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.386 ( -5.376 5.376 6.319) 9.886 1.512 ( -3.616 3.616 0.991) 5.208 1.745 ( 1.673 -1.673 4.273) 4.884 1.859 ( 6.612 -6.612 -0.952) 9.400 2.204 ( -3.976 3.976 -2.069) 5.992 2.345 ( 0.270 -0.270 1.501) 1.549 2.809 ( -4.559 4.559 -10.782) 12.563 3.199 ( -0.204 0.204 1.906) 1.928 3.348 ( 2.715 -2.715 4.133) 5.641 3.509 ( 10.402 -10.402 -3.382) 15.095 4.080 ( -9.561 9.561 -1.666) 13.624 4.209 ( -3.253 3.253 -0.745) 4.660 4.452 ( -3.622 3.622 -3.917) 6.448 4.699 ( 3.870 -3.870 2.769) 6.134 4.793 ( 0.032 -0.032 -3.098) 3.098 5.140 ( 5.209 -5.209 9.224) 11.805 5.234 ( -3.197 3.197 4.897) 6.665 5.326 ( 2.383 -2.383 0.274) 3.381 6.355 ( -4.444 4.444 -8.394) 10.486 6.688 ( -1.522 1.522 10.721) 10.935 6.862 ( -4.594 4.594 2.779) 7.066 7.105 ( 4.774 -4.774 -3.620) 7.660 7.419 ( -0.185 0.185 3.744) 3.753 7.478 ( 0.413 -0.413 1.275) 1.402 7.495 ( 1.100 -1.100 -5.863) 6.066 7.549 ( 1.063 -1.063 -1.116) 1.873 7.782 ( 0.126 -0.126 -1.877) 1.886 7.843 ( 0.907 -0.907 -1.138) 1.715 16.014 ( -0.223 0.223 -5.093) 5.103 16.144 ( 0.222 -0.222 3.426) 3.441 16.781 ( -1.984 1.984 -2.048) 3.474 16.939 ( 1.236 -1.236 1.082) 2.056 17.368 ( -0.778 0.778 -6.034) 6.133 17.671 ( 0.967 -0.967 2.638) 2.972 17.739 ( -0.925 0.925 9.822) 9.909 17.955 ( 7.273 -7.273 -0.786) 10.315======================= Grid point 36 (21/90) =======================q-point: (-0.16 -0.04 0.04)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.427 ( -0.000 -11.380 -10.746) 15.652 0.502 ( -0.000 -14.860 -10.479) 18.183 0.849 ( -0.000 -18.503 -22.622) 29.225 1.672 ( -0.000 -0.940 -3.474) 3.599 2.525 ( 0.000 3.705 1.267) 3.916 2.548 ( 0.000 3.075 3.932) 4.992 3.068 ( 0.000 -2.349 6.910) 7.298 3.068 ( 0.000 -2.074 6.207) 6.545 3.297 ( 0.000 -5.240 1.613) 5.482 3.908 ( 0.000 0.365 11.024) 11.030 4.033 ( 0.000 -6.078 15.402) 16.558 4.146 ( 0.000 -0.930 0.813) 1.235 4.503 ( -0.000 0.312 -15.419) 15.422 4.506 ( -0.000 -0.383 -11.029) 11.036 4.910 ( 0.000 2.941 0.364) 2.963 4.911 ( 0.000 3.474 0.861) 3.579 5.401 ( -0.000 3.864 -3.591) 5.275 5.524 ( -0.000 25.000 -23.603) 34.382 6.248 ( -0.000 -5.658 -1.287) 5.803 6.290 ( -0.000 2.812 -4.393) 5.215 6.584 ( 0.000 2.738 3.550) 4.483 7.100 ( -0.000 -0.623 -7.403) 7.429 7.263 ( -0.000 -2.227 -1.832) 2.883 7.573 ( 0.000 -3.736 1.586) 4.059 7.665 ( 0.000 2.902 2.292) 3.698 7.734 ( 0.000 0.325 2.458) 2.479 7.826 ( 0.000 -0.805 1.986) 2.143 8.066 ( 0.000 -12.050 17.502) 21.249 16.188 ( 0.000 2.011 4.292) 4.739 16.252 ( 0.000 -1.470 2.656) 3.036 16.849 ( 0.000 0.910 2.215) 2.395 17.025 ( 0.000 2.299 0.589) 2.374 17.209 ( -0.000 -1.198 -1.588) 1.990 17.322 ( -0.000 -3.097 -3.265) 4.500 17.371 ( -0.000 -6.553 -6.711) 9.380 18.406 ( -0.000 12.791 -11.548) 17.233======================= Grid point 38 (22/90) =======================q-point: (-0.16 -0.04 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.738 ( 14.272 2.319 -5.160) 15.353 0.840 ( 14.757 4.203 -7.040) 16.882 1.390 ( 18.005 12.158 -9.290) 23.629 1.711 ( 1.731 1.679 -2.600) 3.546 2.379 ( -8.322 -4.493 2.442) 9.768 2.427 ( -4.625 -1.469 1.260) 5.014 3.094 ( 3.175 -1.016 6.981) 7.736 3.167 ( 1.994 1.618 2.446) 3.547 3.364 ( 4.122 -5.072 -0.597) 6.563 3.960 ( -0.691 4.608 9.115) 10.237 4.042 ( -0.410 0.417 4.850) 4.886 4.166 ( 0.211 0.160 1.248) 1.275 4.478 ( 0.430 -1.281 -6.908) 7.039 4.598 ( 1.271 3.306 -0.938) 3.664 4.678 ( -5.370 -7.158 -1.757) 9.119 4.941 ( -1.215 3.376 -0.663) 3.649 5.173 ( -6.136 -1.886 -15.803) 17.057 5.265 ( -5.620 -3.332 -5.096) 8.286 6.259 ( -2.978 3.205 -4.145) 6.027 6.427 ( 7.815 3.330 -1.648) 8.654 6.600 ( 1.823 1.597 8.926) 9.249 7.152 ( 2.688 1.094 -7.136) 7.703 7.279 ( 2.928 -2.778 -1.953) 4.484 7.556 ( -5.384 -2.558 2.400) 6.425 7.643 ( 0.275 2.403 -0.096) 2.421 7.720 ( -0.854 -0.310 2.199) 2.379 7.851 ( 0.754 0.444 1.535) 1.767 8.142 ( -1.352 -1.941 9.584) 9.872 16.137 ( -3.543 -1.220 -0.677) 3.808 16.223 ( -0.613 -0.599 2.254) 2.411 16.849 ( 0.771 0.049 3.642) 3.723 16.991 ( -3.790 2.403 0.027) 4.488 17.281 ( 1.452 0.518 -3.306) 3.648 17.413 ( 3.930 3.939 2.256) 6.005 17.456 ( 6.799 -4.634 -8.031) 11.497 18.211 ( -4.810 -1.836 -5.121) 7.261======================= Grid point 39 (23/90) =======================q-point: (-0.16 -0.04 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.060 ( 13.233 3.042 -3.725) 14.080 1.196 ( 10.859 5.013 -6.132) 13.440 1.721 ( 2.238 2.243 2.391) 3.969 1.990 ( 9.630 10.616 -3.032) 14.650 2.077 ( -7.854 -6.201 1.062) 10.063 2.322 ( -3.577 -0.876 -0.338) 3.698 3.113 ( -5.025 -3.487 -2.593) 6.643 3.134 ( 3.237 -3.091 5.512) 7.101 3.267 ( 0.396 -6.948 -3.205) 7.662 3.936 ( -8.981 0.665 6.245) 10.959 4.136 ( 4.369 -0.682 4.861) 6.572 4.222 ( 1.527 7.820 4.379) 9.092 4.401 ( 2.049 -3.538 -3.191) 5.186 4.598 ( -0.407 2.055 -6.460) 6.791 4.635 ( -1.021 -0.263 -1.443) 1.787 4.985 ( -1.015 3.273 -0.372) 3.447 5.111 ( 0.131 -1.345 -1.994) 2.408 5.190 ( 2.357 2.731 -5.805) 6.834 6.305 ( -1.555 5.725 -4.256) 7.301 6.641 ( 6.093 3.746 -0.319) 7.159 6.709 ( 4.423 3.166 8.579) 10.158 7.229 ( 2.542 1.220 -7.290) 7.816 7.275 ( 1.937 -2.931 -1.203) 3.713 7.371 ( -5.900 -3.879 1.342) 7.188 7.653 ( -1.502 -0.367 1.164) 1.935 7.687 ( -1.603 -0.748 1.629) 2.405 7.857 ( -0.347 -0.390 1.072) 1.192 8.013 ( -4.283 -4.188 4.108) 7.264 16.031 ( -2.427 -2.385 -3.219) 4.684 16.227 ( -0.649 1.594 4.597) 4.909 16.868 ( 0.595 0.143 1.960) 2.053 16.958 ( -3.477 1.684 1.882) 4.297 17.289 ( -0.825 0.354 -6.052) 6.118 17.450 ( 5.008 -5.617 -8.765) 11.552 17.610 ( 6.087 2.995 5.629) 8.815 18.098 ( -3.537 -1.994 -0.313) 4.073======================= Grid point 40 (24/90) =======================q-point: (-0.16 -0.04 0.49)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.358 ( 9.242 3.143 -2.498) 10.077 1.426 ( 6.530 1.074 -6.374) 9.188 1.756 ( -7.033 -3.492 3.280) 8.509 1.829 ( 1.490 2.366 3.354) 4.367 2.255 ( -2.224 -0.039 -1.470) 2.666 2.341 ( 4.177 6.403 1.040) 7.715 2.908 ( -7.004 -2.580 -5.878) 9.501 3.041 ( 3.211 -10.488 -3.869) 11.631 3.226 ( 0.801 0.322 1.887) 2.075 3.665 ( -7.384 -6.261 11.011) 14.662 4.260 ( 1.198 3.741 0.598) 3.974 4.378 ( -1.638 7.140 4.668) 8.686 4.432 ( 0.864 -0.606 -10.886) 10.937 4.597 ( 0.608 1.342 -1.362) 2.006 4.627 ( 0.488 0.219 -3.031) 3.077 5.071 ( 3.679 2.110 0.229) 4.247 5.172 ( 4.564 0.536 2.440) 5.203 5.323 ( 2.451 3.965 0.376) 4.677 6.392 ( -1.997 5.871 -3.601) 7.171 6.798 ( 4.203 1.029 -2.409) 4.952 6.871 ( 3.698 4.294 10.664) 12.076 7.157 ( -5.107 -2.384 2.850) 6.316 7.290 ( 2.559 -2.797 -3.433) 5.115 7.299 ( 2.236 1.013 -7.390) 7.787 7.572 ( -3.191 -2.676 1.638) 4.475 7.637 ( -1.472 -0.578 1.880) 2.456 7.824 ( -1.913 -1.232 0.577) 2.347 7.851 ( -2.586 -3.588 1.039) 4.544 15.963 ( -1.065 -1.081 -2.980) 3.344 16.247 ( -0.674 1.568 5.086) 5.365 16.859 ( -1.890 0.330 -0.208) 1.930 16.942 ( -0.470 0.817 3.649) 3.769 17.276 ( -1.432 0.805 -6.612) 6.813 17.436 ( 5.453 -6.079 -9.280) 12.361 17.758 ( 4.364 1.485 6.298) 7.805 17.989 ( -3.001 -2.251 2.851) 4.712======================= Grid point 41 (25/90) =======================q-point: (-0.16 -0.04 -0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.463 ( 0.608 -0.608 -4.991) 5.064 1.530 ( 4.522 -4.522 -2.734) 6.955 1.627 ( -2.166 2.166 2.861) 4.192 1.897 ( -0.315 0.315 3.994) 4.019 2.234 ( -0.965 0.965 -2.034) 2.449 2.429 ( -2.126 2.126 3.580) 4.675 2.803 ( -3.111 3.111 -7.155) 8.399 2.962 ( 7.649 -7.649 -6.149) 12.443 3.245 ( -0.135 0.135 1.570) 1.582 3.515 ( 0.680 -0.680 12.582) 12.619 4.297 ( -2.087 2.087 -1.519) 3.319 4.405 ( 0.025 -0.025 -11.509) 11.509 4.444 ( -4.413 4.413 5.476) 8.302 4.638 ( -1.976 1.976 -2.585) 3.806 4.652 ( 1.181 -1.181 -2.050) 2.645 5.139 ( 4.631 -4.631 -3.712) 7.528 5.234 ( 0.455 -0.455 8.404) 8.429 5.393 ( -1.001 1.001 2.365) 2.756 6.434 ( -4.068 4.068 -3.178) 6.573 6.840 ( 1.740 -1.740 -4.150) 4.825 6.964 ( -0.875 0.875 11.855) 11.920 7.083 ( -1.229 1.229 2.638) 3.160 7.285 ( 3.274 -3.274 -3.030) 5.534 7.356 ( -0.147 0.147 -7.974) 7.977 7.485 ( -0.123 0.123 2.207) 2.214 7.616 ( -0.501 0.501 1.798) 1.932 7.753 ( 0.134 -0.134 -0.430) 0.470 7.815 ( 0.369 -0.369 0.672) 0.851 15.943 ( -0.059 0.059 -2.838) 2.839 16.257 ( -1.063 1.063 5.240) 5.452 16.838 ( -1.447 1.447 -0.179) 2.055 16.950 ( -0.063 0.063 3.414) 3.415 17.269 ( -1.171 1.171 -6.634) 6.838 17.429 ( 5.702 -5.702 -9.480) 12.445 17.830 ( 1.669 -1.669 4.546) 5.122 17.920 ( -0.397 0.397 5.840) 5.866======================= Grid point 46 (26/90) =======================q-point: ( 0.06 -0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.349 ( 0.000 17.583 0.000) 17.583 0.389 ( 0.000 19.652 0.000) 19.652 0.563 ( 0.000 28.092 0.000) 28.092 1.637 ( 0.000 1.315 0.000) 1.315 2.538 ( -0.000 -4.056 -0.000) 4.056 2.613 ( -0.000 -4.938 -0.000) 4.938 3.124 ( 0.000 1.441 0.000) 1.441 3.132 ( 0.000 2.194 0.000) 2.194 3.319 ( 0.000 5.092 0.000) 5.092 4.077 ( -0.000 -2.264 -0.000) 2.264 4.197 ( -0.000 -4.462 -0.000) 4.462 4.222 ( -0.000 -1.813 -0.000) 1.813 4.227 ( 0.000 5.121 0.000) 5.121 4.707 ( -0.000 -0.451 -0.000) 0.451 4.794 ( 0.000 2.488 0.000) 2.488 4.914 ( -0.000 -3.484 -0.000) 3.484 4.919 ( -0.000 -3.260 -0.000) 3.260 5.366 ( -0.000 -4.370 -0.000) 4.370 6.235 ( 0.000 5.430 0.000) 5.430 6.247 ( -0.000 -2.971 -0.000) 2.971 6.666 ( 0.000 1.065 0.000) 1.065 7.000 ( 0.000 1.908 0.000) 1.908 7.245 ( 0.000 2.318 0.000) 2.318 7.592 ( 0.000 0.303 0.000) 0.303 7.687 ( -0.000 -2.799 -0.000) 2.799 7.758 ( -0.000 -0.362 -0.000) 0.362 7.845 ( 0.000 0.612 0.000) 0.612 8.359 ( -0.000 -2.574 -0.000) 2.574 16.233 ( -0.000 -2.639 -0.000) 2.639 16.247 ( -0.000 -1.477 -0.000) 1.477 16.885 ( 0.000 0.068 0.000) 0.068 17.020 ( -0.000 -4.930 -0.000) 4.930 17.225 ( 0.000 5.003 0.000) 5.003 17.281 ( 0.000 6.195 0.000) 6.195 17.347 ( 0.000 0.553 0.000) 0.553 18.179 ( -0.000 -1.102 -0.000) 1.102======================= Grid point 47 (27/90) =======================q-point: ( 0.06 -0.06 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.700 ( -1.952 18.078 0.000) 18.183 0.757 ( 6.576 14.486 -0.000) 15.909 1.297 ( 15.867 21.491 -0.000) 26.714 1.683 ( 1.175 2.006 -0.000) 2.325 2.402 ( -3.251 -8.451 0.000) 9.055 2.446 ( -3.279 -5.346 0.000) 6.271 3.159 ( 0.410 1.673 -0.000) 1.723 3.189 ( 0.081 1.055 -0.000) 1.058 3.358 ( -7.210 4.471 0.000) 8.484 4.061 ( 0.371 -6.443 -0.000) 6.454 4.077 ( 2.422 1.525 -0.000) 2.862 4.204 ( 2.550 -2.073 -0.000) 3.286 4.362 ( 2.598 5.788 -0.000) 6.344 4.655 ( -6.497 -6.250 0.000) 9.015 4.696 ( -4.444 -1.561 0.000) 4.710 4.917 ( 4.438 4.774 -0.000) 6.518 4.935 ( 2.789 -1.266 -0.000) 3.063 5.219 ( -2.580 -6.675 0.000) 7.156 6.216 ( 3.433 -3.295 -0.000) 4.758 6.411 ( 3.156 7.886 -0.000) 8.494 6.713 ( 1.819 2.162 -0.000) 2.825 7.062 ( 1.066 2.815 -0.000) 3.010 7.259 ( -3.008 3.075 0.000) 4.302 7.580 ( -2.571 -5.400 0.000) 5.981 7.642 ( 2.787 0.156 -0.000) 2.792 7.741 ( -0.446 -0.932 0.000) 1.034 7.866 ( 0.435 0.527 -0.000) 0.683 8.248 ( -3.486 -4.744 0.000) 5.887 16.113 ( -3.598 -3.333 0.000) 4.905 16.254 ( 2.443 -1.563 -0.000) 2.900 16.887 ( 0.023 0.045 -0.000) 0.050 16.992 ( 5.694 -5.951 -0.000) 8.237 17.280 ( -3.209 2.359 0.000) 3.983 17.328 ( -6.833 7.576 0.000) 10.202 17.460 ( 5.274 5.546 -0.000) 7.653 18.151 ( -0.021 -2.053 -0.000) 2.053======================= Grid point 48 (28/90) =======================q-point: ( 0.06 -0.06 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.028 ( 1.788 15.179 -0.000) 15.284 1.127 ( 5.306 10.341 -0.000) 11.622 1.758 ( 2.125 2.418 -0.000) 3.219 1.944 ( 13.254 14.089 -0.000) 19.344 2.094 ( -7.060 -9.945 0.000) 12.196 2.319 ( -1.211 -3.971 0.000) 4.151 3.084 ( -4.448 -6.196 0.000) 7.627 3.210 ( 0.568 1.509 -0.000) 1.612 3.213 ( -11.556 0.992 0.000) 11.598 4.009 ( 5.476 -8.752 -0.000) 10.324 4.199 ( 2.749 3.317 -0.000) 4.308 4.252 ( -0.313 3.051 0.000) 3.067 4.368 ( -2.692 -4.306 0.000) 5.079 4.519 ( 1.442 3.994 -0.000) 4.246 4.631 ( -1.760 -1.248 0.000) 2.158 4.983 ( 1.043 2.363 -0.000) 2.583 5.091 ( 1.333 -1.625 -0.000) 2.102 5.126 ( 5.680 5.241 -0.000) 7.729 6.264 ( 6.001 -1.583 -0.000) 6.207 6.624 ( 2.661 7.097 -0.000) 7.579 6.832 ( 4.521 3.702 -0.000) 5.843 7.134 ( 0.791 2.303 -0.000) 2.435 7.260 ( -3.021 3.039 0.000) 4.285 7.387 ( -4.042 -6.954 0.000) 8.043 7.663 ( 0.113 -1.460 -0.000) 1.464 7.703 ( -0.888 -1.549 0.000) 1.785 7.868 ( -0.356 -0.585 0.000) 0.685 8.057 ( -5.012 -5.639 0.000) 7.544 15.997 ( -2.483 -2.115 0.000) 3.261 16.276 ( 2.603 -1.257 -0.000) 2.891 16.883 ( 0.170 -0.836 -0.000) 0.854 16.985 ( 4.765 -5.206 -0.000) 7.057 17.251 ( -3.207 1.626 0.000) 3.596 17.331 ( -7.216 6.826 0.000) 9.933 17.673 ( 4.000 5.768 -0.000) 7.019 18.092 ( -1.116 -2.681 0.000) 2.904======================= Grid point 49 (29/90) =======================q-point: ( 0.06 -0.06 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.346 ( 2.212 11.936 -0.000) 12.139 1.348 ( 1.472 5.262 -0.000) 5.464 1.788 ( -4.530 -7.817 0.000) 9.035 1.865 ( 2.811 3.024 -0.000) 4.129 2.240 ( 0.021 -2.771 -0.000) 2.771 2.351 ( 8.167 5.111 -0.000) 9.635 2.847 ( -3.346 -7.739 0.000) 8.431 3.001 ( -11.838 2.391 0.000) 12.077 3.243 ( 0.734 0.539 -0.000) 0.911 3.803 ( -3.885 -8.510 0.000) 9.355 4.246 ( -0.665 -0.594 0.000) 0.892 4.305 ( -0.241 3.134 0.000) 3.144 4.446 ( 11.283 -4.398 -0.000) 12.110 4.568 ( -1.163 2.773 0.000) 3.007 4.605 ( 0.138 0.973 -0.000) 0.983 5.059 ( -1.966 5.690 0.000) 6.020 5.211 ( 4.840 4.220 -0.000) 6.421 5.326 ( 4.807 3.503 -0.000) 5.948 6.359 ( 6.287 -1.968 -0.000) 6.588 6.766 ( -0.058 4.223 0.000) 4.224 7.029 ( 6.630 4.299 -0.000) 7.902 7.176 ( -0.033 1.232 0.000) 1.233 7.187 ( -2.524 -5.465 0.000) 6.020 7.258 ( -3.358 3.194 0.000) 4.635 7.588 ( -2.475 -3.151 0.000) 4.007 7.655 ( -0.634 -1.417 0.000) 1.553 7.831 ( -1.174 -2.356 0.000) 2.632 7.862 ( -4.004 -3.120 0.000) 5.076 15.934 ( -1.017 -0.915 0.000) 1.368 16.302 ( 2.330 -1.263 -0.000) 2.651 16.857 ( 0.718 -2.417 -0.000) 2.521 16.983 ( 3.146 -2.829 -0.000) 4.231 17.226 ( -2.783 1.956 0.000) 3.402 17.319 ( -6.487 5.856 0.000) 8.739 17.823 ( 1.225 3.967 -0.000) 4.152 18.015 ( -1.224 -2.275 0.000) 2.584======================= Grid point 50 (30/90) =======================q-point: ( 0.06 -0.06 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.409 ( -1.772 1.772 0.000) 2.506 1.506 ( -4.465 4.465 0.000) 6.314 1.657 ( 1.911 -1.911 -0.000) 2.702 1.936 ( -0.098 0.098 0.000) 0.138 2.213 ( 1.414 -1.414 -0.000) 2.000 2.472 ( 3.368 -3.368 -0.000) 4.763 2.725 ( 2.838 -2.838 -0.000) 4.013 2.900 ( -8.432 8.432 0.000) 11.925 3.257 ( 0.353 -0.353 -0.000) 0.500 3.667 ( 0.645 -0.645 -0.000) 0.912 4.219 ( 0.215 -0.215 -0.000) 0.303 4.326 ( -0.182 0.182 0.000) 0.257 4.522 ( 9.449 -9.449 -0.000) 13.363 4.590 ( -2.470 2.470 0.000) 3.493 4.634 ( -0.711 0.711 0.000) 1.006 5.102 ( -5.545 5.545 0.000) 7.841 5.317 ( -0.253 0.253 0.000) 0.358 5.415 ( 0.936 -0.936 -0.000) 1.323 6.406 ( 4.326 -4.326 -0.000) 6.117 6.797 ( -1.836 1.836 0.000) 2.597 7.109 ( 1.236 -1.236 -0.000) 1.748 7.172 ( 1.797 -1.797 -0.000) 2.541 7.186 ( -0.569 0.569 0.000) 0.804 7.257 ( -3.520 3.520 0.000) 4.978 7.506 ( 0.145 -0.145 -0.000) 0.205 7.633 ( 0.408 -0.408 -0.000) 0.578 7.750 ( -0.027 0.027 0.000) 0.039 7.821 ( -0.185 0.185 0.000) 0.262 15.915 ( 0.042 -0.042 -0.000) 0.059 16.313 ( 1.736 -1.736 -0.000) 2.455 16.836 ( 1.852 -1.852 -0.000) 2.619 16.989 ( 2.262 -2.262 -0.000) 3.199 17.218 ( -2.362 2.362 0.000) 3.341 17.312 ( -5.774 5.774 0.000) 8.166 17.874 ( -1.582 1.582 0.000) 2.237 17.977 ( 0.430 -0.430 -0.000) 0.608======================= Grid point 56 (31/90) =======================q-point: ( 0.27 -0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.015 ( 0.000 15.219 1.580) 15.301 1.161 ( 0.000 16.591 3.353) 16.927 1.632 ( 0.000 17.965 7.142) 19.332 1.713 ( 0.000 0.403 0.024) 0.404 2.281 ( -0.000 -8.845 -4.044) 9.725 2.286 ( -0.000 -7.266 1.333) 7.387 3.165 ( -0.000 1.238 -1.693) 2.098 3.196 ( -0.000 1.430 -2.081) 2.525 3.597 ( -0.000 8.090 -3.415) 8.781 3.889 ( -0.000 -1.156 -9.575) 9.645 3.912 ( 0.000 -6.493 3.606) 7.427 4.165 ( 0.000 -0.984 2.952) 3.111 4.503 ( 0.000 0.938 4.659) 4.753 4.621 ( -0.000 3.110 -3.269) 4.512 4.729 ( -0.000 -3.498 -2.868) 4.523 4.743 ( -0.000 -5.042 -0.645) 5.083 5.141 ( 0.000 1.500 9.458) 9.577 5.165 ( 0.000 -6.386 7.376) 9.756 6.138 ( 0.000 -3.738 5.111) 6.332 6.552 ( -0.000 6.056 -4.747) 7.695 6.650 ( -0.000 6.323 -3.592) 7.272 7.206 ( 0.000 3.464 7.060) 7.864 7.380 ( 0.000 1.363 -0.118) 1.368 7.457 ( -0.000 -5.830 -1.033) 5.920 7.614 ( 0.000 0.120 0.793) 0.802 7.699 ( -0.000 -1.631 -2.224) 2.758 7.868 ( -0.000 0.962 -0.913) 1.326 8.111 ( -0.000 -4.385 -5.955) 7.395 16.100 ( -0.000 -1.588 -1.293) 2.048 16.179 ( 0.000 -3.538 2.233) 4.183 16.869 ( -0.000 1.178 -2.391) 2.666 16.873 ( 0.000 -4.117 2.959) 5.070 17.383 ( 0.000 0.605 1.133) 1.284 17.420 ( -0.000 7.242 -5.640) 9.179 17.661 ( 0.000 7.990 5.968) 9.973 18.130 ( 0.000 -4.474 2.903) 5.333======================= Grid point 57 (32/90) =======================q-point: ( 0.27 -0.07 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.302 ( 0.432 12.506 0.933) 12.548 1.444 ( -2.039 14.928 3.570) 15.484 1.710 ( 1.205 -0.561 -4.756) 4.938 1.931 ( -1.078 -4.167 -2.065) 4.774 2.098 ( 2.105 5.677 2.233) 6.453 2.206 ( 2.804 -6.002 1.304) 6.752 3.062 ( -4.861 -8.517 3.854) 10.536 3.196 ( 1.170 -0.722 -0.625) 1.510 3.585 ( -12.493 6.392 -1.742) 14.141 3.751 ( 0.198 -5.775 -1.014) 5.867 4.009 ( 6.867 -3.894 -0.996) 7.957 4.179 ( 2.848 -0.064 -0.167) 2.854 4.511 ( -2.837 -3.179 4.649) 6.307 4.579 ( 2.513 2.024 -1.845) 3.717 4.642 ( -3.126 4.583 -2.745) 6.189 4.877 ( 5.760 2.135 -7.391) 9.611 5.103 ( 3.299 -0.783 7.577) 8.301 5.220 ( 0.389 5.509 3.908) 6.765 6.133 ( 4.917 -2.279 4.847) 7.272 6.657 ( 3.122 2.916 -10.814) 11.627 6.824 ( -0.123 9.357 2.261) 9.627 7.242 ( -1.396 -9.404 -3.134) 10.010 7.272 ( 0.133 2.900 7.157) 7.724 7.435 ( -2.993 3.481 2.223) 5.101 7.618 ( 0.427 -1.420 -0.186) 1.495 7.656 ( -0.225 -2.443 -1.987) 3.157 7.869 ( -0.991 -0.099 -0.220) 1.019 7.984 ( -2.159 -5.547 -2.599) 6.495 16.037 ( -2.560 -1.812 2.284) 3.880 16.154 ( 2.809 -1.918 -0.915) 3.522 16.814 ( 1.504 -3.961 2.297) 4.820 16.898 ( 0.611 1.086 -0.891) 1.532 17.355 ( -3.126 1.405 -0.137) 3.430 17.575 ( 0.628 4.898 -3.657) 6.145 17.788 ( -3.225 9.076 2.939) 10.071 18.045 ( -0.278 -3.870 0.297) 3.891======================= Grid point 58 (33/90) =======================q-point: ( 0.27 -0.07 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.483 ( -0.865 5.622 0.291) 5.696 1.606 ( -1.987 -2.819 -1.879) 3.928 1.712 ( -3.830 7.157 -0.177) 8.120 1.802 ( 3.418 1.477 -5.858) 6.941 2.158 ( 2.995 -4.581 3.080) 6.280 2.320 ( 3.252 3.775 -0.061) 4.983 2.766 ( -2.170 -11.462 7.271) 13.746 3.203 ( 2.400 -2.180 0.295) 3.256 3.421 ( -13.939 5.614 2.867) 15.298 3.639 ( -2.759 -3.201 -5.523) 6.955 4.043 ( 10.140 -8.307 -0.121) 13.109 4.205 ( 1.772 -1.515 -1.493) 2.769 4.408 ( -0.172 -4.479 5.677) 7.233 4.673 ( -0.203 4.656 -0.239) 4.666 4.720 ( -3.806 7.978 -0.996) 8.895 5.091 ( 6.551 6.911 -6.276) 11.405 5.224 ( 4.792 2.114 1.474) 5.441 5.332 ( -0.930 4.854 0.215) 4.947 6.202 ( 5.687 -2.309 4.084) 7.372 6.801 ( 5.301 2.477 -10.898) 12.370 6.943 ( -2.546 2.231 2.163) 4.017 7.062 ( 0.197 -3.821 -2.154) 4.391 7.322 ( 0.228 1.890 7.592) 7.827 7.444 ( -3.549 3.995 2.255) 5.800 7.554 ( -2.028 -3.188 -1.229) 3.974 7.603 ( 0.138 -2.402 -2.054) 3.163 7.816 ( -1.995 -2.862 0.515) 3.527 7.857 ( -1.399 -1.949 -0.224) 2.409 15.965 ( -1.381 -1.212 2.715) 3.278 16.180 ( 2.670 -1.428 -1.590) 3.420 16.769 ( 1.558 -3.507 1.640) 4.173 16.932 ( 0.741 0.781 -0.023) 1.077 17.327 ( -2.876 1.894 -0.556) 3.488 17.629 ( -3.141 3.990 2.326) 5.586 17.885 ( -2.265 4.836 -3.815) 6.563 17.980 ( -2.132 0.684 -1.228) 2.554======================= Grid point 59 (34/90) =======================q-point: (-0.73 -0.07 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.495 ( 3.896 -3.896 -4.704) 7.245 1.527 ( -2.252 2.252 -0.971) 3.330 1.799 ( -7.399 7.399 -0.149) 10.465 1.880 ( -0.203 0.203 -3.919) 3.929 2.145 ( 3.541 -3.541 3.913) 6.355 2.371 ( 0.577 -0.577 -1.169) 1.425 2.616 ( 5.938 -5.938 8.398) 11.877 3.205 ( 2.791 -2.791 0.670) 4.004 3.330 ( -8.354 8.354 3.077) 12.208 3.569 ( -2.428 2.428 -6.143) 7.038 4.069 ( 10.793 -10.793 -0.178) 15.265 4.203 ( 2.083 -2.083 0.240) 2.956 4.357 ( 2.054 -2.054 5.072) 5.845 4.737 ( -3.025 3.025 2.015) 4.729 4.751 ( -5.861 5.861 -2.438) 8.639 5.301 ( 1.001 -1.001 -1.132) 1.812 5.304 ( -3.489 3.489 -6.713) 8.331 5.319 ( -0.971 0.971 -0.156) 1.382 6.239 ( 4.039 -4.039 3.773) 6.845 6.880 ( 2.437 -2.437 0.735) 3.524 6.905 ( 1.900 -1.900 -11.374) 11.687 7.067 ( -2.776 2.776 0.379) 3.945 7.353 ( -0.251 0.251 8.398) 8.406 7.449 ( -3.917 3.917 2.199) 5.961 7.476 ( 0.371 -0.371 -2.071) 2.136 7.579 ( 1.333 -1.333 -2.065) 2.796 7.752 ( 0.389 -0.389 1.137) 1.263 7.829 ( -0.095 0.095 0.381) 0.404 15.939 ( 0.117 -0.117 2.716) 2.721 16.193 ( 1.965 -1.965 -1.703) 3.259 16.748 ( 2.343 -2.343 1.377) 3.588 16.948 ( 0.023 -0.023 0.214) 0.216 17.317 ( -2.434 2.434 -0.664) 3.505 17.634 ( -4.111 4.111 4.725) 7.492 17.889 ( 1.151 -1.151 -5.595) 5.827 17.985 ( -6.335 6.335 -2.617) 9.334======================= Grid point 65 (35/90) =======================q-point: (-0.52 -0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.456 ( -0.000 -8.067 -8.305) 11.578 1.537 ( 0.000 7.267 -0.039) 7.268 1.703 ( -0.000 -9.762 -6.109) 11.516 1.788 ( 0.000 8.847 4.412) 9.886 2.127 ( 0.000 -2.877 0.819) 2.991 2.231 ( 0.000 6.437 0.144) 6.439 3.083 ( 0.000 -8.098 6.549) 10.415 3.115 ( 0.000 -5.746 4.747) 7.453 3.640 ( 0.000 0.881 1.094) 1.404 3.665 ( -0.000 -3.255 -4.005) 5.161 4.047 ( -0.000 -8.033 2.001) 8.278 4.162 ( 0.000 6.934 1.088) 7.019 4.508 ( 0.000 -3.551 4.290) 5.569 4.510 ( -0.000 2.269 -2.074) 3.074 4.722 ( -0.000 6.921 -9.366) 11.646 4.759 ( -0.000 7.663 -4.080) 8.682 5.209 ( 0.000 0.512 5.734) 5.757 5.339 ( -0.000 4.767 -2.855) 5.556 6.202 ( 0.000 0.276 8.397) 8.401 6.435 ( -0.000 2.267 -12.305) 12.512 6.969 ( -0.000 -11.467 -4.247) 12.229 7.095 ( 0.000 9.897 4.258) 10.775 7.453 ( 0.000 1.720 5.589) 5.848 7.507 ( -0.000 -1.802 -3.798) 4.204 7.583 ( -0.000 -1.718 -0.372) 1.758 7.595 ( 0.000 0.886 1.282) 1.558 7.875 ( -0.000 -3.664 -0.222) 3.671 7.890 ( 0.000 -0.064 1.808) 1.809 16.071 ( 0.000 -2.755 1.204) 3.007 16.116 ( 0.000 1.646 1.966) 2.564 16.790 ( 0.000 -3.171 3.438) 4.677 16.909 ( -0.000 2.415 -1.281) 2.733 17.380 ( 0.000 -1.917 0.678) 2.033 17.534 ( -0.000 4.332 -7.345) 8.528 17.946 ( -0.000 -5.555 -1.532) 5.762 18.054 ( 0.000 8.271 1.034) 8.335======================= Grid point 66 (36/90) =======================q-point: (-0.52 -0.08 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.290 ( 0.749 -9.454 -10.207) 13.933 1.420 ( -0.274 -9.902 -9.454) 13.694 1.728 ( 0.974 5.217 -1.421) 5.494 1.923 ( 4.684 0.215 -0.696) 4.740 2.125 ( -2.466 4.903 0.917) 5.564 2.348 ( 0.404 3.373 -0.725) 3.473 2.804 ( -4.157 -10.150 12.400) 16.555 3.068 ( 6.685 -7.873 6.540) 12.225 3.510 ( -4.288 -5.425 -2.513) 7.357 3.695 ( 2.724 0.721 2.142) 3.540 3.899 ( -0.372 -6.255 5.780) 8.524 4.170 ( -3.020 1.385 -2.127) 3.945 4.442 ( -4.394 2.184 2.113) 5.343 4.708 ( 3.647 6.304 -3.691) 8.165 4.848 ( -1.317 6.089 -8.334) 10.405 4.968 ( 7.093 4.627 -3.425) 9.135 5.257 ( -1.513 5.978 0.584) 6.194 5.439 ( -0.992 4.888 -3.671) 6.193 6.243 ( 0.278 2.226 5.302) 5.757 6.536 ( 4.398 3.196 -10.992) 12.263 6.747 ( 1.291 -11.156 -3.582) 11.788 7.251 ( -2.116 7.545 3.976) 8.787 7.446 ( -0.612 -1.898 -1.463) 2.474 7.464 ( 0.005 -2.202 -2.732) 3.509 7.538 ( -1.305 -0.598 3.635) 3.909 7.616 ( -0.693 1.812 2.479) 3.148 7.800 ( -0.375 -3.011 2.009) 3.639 7.864 ( -0.192 -1.965 3.550) 4.062 16.023 ( -0.453 -1.298 3.217) 3.498 16.140 ( 0.359 0.055 2.384) 2.411 16.743 ( 0.072 -1.704 2.586) 3.097 16.951 ( 0.317 1.369 0.521) 1.498 17.355 ( 0.226 -0.628 -1.083) 1.272 17.613 ( 1.010 2.673 -8.237) 8.719 17.822 ( -1.816 -5.012 -3.788) 6.539 18.193 ( -3.775 9.325 -1.226) 10.134======================= Grid point 67 (37/90) =======================q-point: (-0.52 -0.08 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.176 ( 5.006 -5.006 -9.942) 12.205 1.325 ( 5.664 -5.664 -11.587) 14.087 1.795 ( -1.274 1.274 -3.364) 3.816 1.968 ( 6.020 -6.020 -3.766) 9.309 2.180 ( -7.182 7.182 1.194) 10.226 2.374 ( -1.131 1.131 0.219) 1.615 2.640 ( 3.637 -3.637 14.228) 15.130 3.058 ( 7.808 -7.808 6.951) 13.048 3.398 ( 0.618 -0.618 -2.613) 2.755 3.755 ( 0.307 -0.307 6.511) 6.526 3.801 ( 3.359 -3.359 2.732) 5.480 4.154 ( -0.549 0.549 -1.393) 1.595 4.421 ( -4.473 4.473 2.105) 6.666 4.830 ( -2.289 2.289 -4.295) 5.378 4.876 ( -4.163 4.163 -7.230) 9.325 5.084 ( 4.051 -4.051 -2.789) 6.372 5.377 ( -6.169 6.169 -6.793) 11.057 5.436 ( -3.090 3.090 -0.535) 4.403 6.270 ( -1.275 1.275 3.781) 4.189 6.636 ( 6.615 -6.615 -3.042) 9.838 6.645 ( 0.501 -0.501 -9.884) 9.910 7.298 ( -4.167 4.167 2.640) 6.458 7.415 ( -0.320 0.320 -1.905) 1.958 7.427 ( 1.827 -1.827 -4.521) 5.207 7.524 ( -0.467 0.467 6.455) 6.488 7.628 ( -1.609 1.609 3.071) 3.822 7.765 ( 1.032 -1.032 3.034) 3.367 7.835 ( 1.715 -1.715 3.654) 4.385 16.006 ( 0.179 -0.179 4.816) 4.823 16.140 ( 0.809 -0.809 1.507) 1.891 16.727 ( 0.340 -0.340 2.105) 2.159 16.968 ( -0.178 0.178 1.145) 1.172 17.356 ( 0.002 -0.002 -0.695) 0.695 17.693 ( 1.325 -1.325 -9.192) 9.381 17.701 ( -0.258 0.258 -4.580) 4.595 18.252 ( -7.799 7.799 -2.145) 11.236======================= Grid point 71 (38/90) =======================q-point: ( 0.48 -0.08 -0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.167 ( -10.819 3.282 7.061) 13.329 1.322 ( -10.172 5.375 6.494) 13.211 1.704 ( 1.453 0.598 0.939) 1.830 1.997 ( 5.844 -0.661 -1.696) 6.121 2.095 ( -4.371 3.194 2.221) 5.852 2.334 ( 2.503 -0.486 0.843) 2.686 2.982 ( -5.909 -1.062 -10.165) 11.806 3.166 ( 1.882 -1.049 1.992) 2.934 3.338 ( -0.883 -6.113 4.207) 7.473 3.807 ( 8.192 -3.584 -6.835) 11.255 4.020 ( -6.253 1.606 -6.655) 9.272 4.154 ( -1.760 4.966 -1.852) 5.584 4.436 ( -3.182 0.519 0.234) 3.232 4.685 ( 2.948 -1.296 3.937) 5.087 4.726 ( 0.833 3.493 5.141) 6.271 5.016 ( 6.223 4.562 3.529) 8.485 5.163 ( -0.478 -3.296 3.260) 4.661 5.308 ( 1.335 -1.276 5.758) 6.047 6.403 ( -0.888 5.329 1.848) 5.710 6.500 ( 0.237 3.869 -4.699) 6.092 6.718 ( -8.184 2.782 3.667) 9.390 7.264 ( 4.725 -3.599 -2.978) 6.644 7.362 ( -2.220 0.930 6.013) 6.477 7.377 ( -0.870 -2.309 2.862) 3.779 7.609 ( 1.308 -0.872 -3.742) 4.059 7.645 ( 2.091 -1.207 -2.602) 3.550 7.829 ( -0.429 -0.452 -1.841) 1.943 7.924 ( 1.546 -2.281 -4.538) 5.309 16.090 ( 1.662 -0.044 0.832) 1.859 16.132 ( 0.189 -1.420 -3.399) 3.688 16.810 ( -2.120 0.524 -3.461) 4.092 16.945 ( 2.658 -0.375 0.332) 2.705 17.432 ( -0.314 4.406 1.322) 4.611 17.487 ( 0.298 1.496 2.358) 2.809 17.641 ( -5.945 -5.162 8.200) 11.368 18.096 ( 5.783 -4.212 -0.482) 7.170======================= Grid point 74 (39/90) =======================q-point: (-0.31 -0.09 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.858 ( -0.000 -10.893 -11.386) 15.758 0.981 ( -0.000 -13.867 -10.112) 17.162 1.536 ( -0.000 -12.839 -15.433) 20.075 1.749 ( -0.000 0.908 -3.168) 3.296 2.366 ( 0.000 7.686 3.623) 8.497 2.419 ( 0.000 4.718 0.189) 4.722 2.970 ( 0.000 -5.731 11.316) 12.685 2.972 ( 0.000 -6.901 11.173) 13.133 3.405 ( -0.000 -8.057 1.060) 8.127 3.741 ( 0.000 0.559 5.699) 5.726 3.910 ( 0.000 -3.720 7.481) 8.355 4.160 ( -0.000 -1.818 0.298) 1.843 4.628 ( -0.000 6.799 -7.770) 10.325 4.722 ( -0.000 4.572 -8.959) 10.058 4.794 ( 0.000 5.674 -1.138) 5.787 4.882 ( -0.000 1.135 -2.183) 2.460 5.417 ( -0.000 4.842 -7.034) 8.539 5.442 ( -0.000 11.480 -5.277) 12.635 6.349 ( -0.000 3.573 -8.701) 9.406 6.418 ( 0.000 0.847 0.540) 1.004 6.463 ( -0.000 -6.396 1.000) 6.474 7.276 ( -0.000 -2.947 -6.641) 7.266 7.358 ( -0.000 -2.523 -2.202) 3.348 7.520 ( 0.000 5.163 3.767) 6.391 7.622 ( -0.000 -1.218 -0.952) 1.546 7.655 ( 0.000 0.643 4.723) 4.766 7.804 ( 0.000 -1.845 2.833) 3.381 7.947 ( 0.000 -3.995 10.519) 11.252 16.074 ( 0.000 0.770 3.754) 3.832 16.212 ( 0.000 -1.136 4.375) 4.520 16.785 ( 0.000 0.256 2.798) 2.809 16.984 ( 0.000 1.592 0.205) 1.605 17.278 ( -0.000 -1.619 -2.396) 2.892 17.468 ( -0.000 -0.027 -7.975) 7.975 17.632 ( -0.000 -6.466 -6.201) 8.959 18.352 ( -0.000 9.466 -5.458) 10.927======================= Grid point 75 (40/90) =======================q-point: (-0.31 -0.09 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.748 ( 5.031 -5.031 -13.439) 15.206 0.806 ( 7.319 -7.319 -13.627) 17.112 1.405 ( 9.097 -9.097 -20.099) 23.864 1.760 ( 0.274 -0.274 -4.507) 4.524 2.450 ( -4.098 4.098 2.465) 6.298 2.467 ( -2.267 2.267 1.863) 3.708 2.842 ( 0.563 -0.563 14.004) 14.026 2.959 ( 5.399 -5.399 11.551) 13.846 3.296 ( 3.438 -3.438 1.073) 4.980 3.783 ( 1.977 -1.977 6.208) 6.808 3.829 ( 2.074 -2.074 8.008) 8.528 4.139 ( 0.758 -0.758 0.761) 1.315 4.718 ( -6.171 6.171 -8.917) 12.477 4.776 ( -1.053 1.053 -13.052) 13.137 4.793 ( -3.613 3.613 -2.067) 5.511 4.951 ( 1.215 -1.215 -0.076) 1.720 5.457 ( -3.686 3.686 -6.099) 8.022 5.591 ( -6.629 6.629 -1.363) 9.474 6.332 ( 5.306 -5.306 -2.236) 7.830 6.376 ( -2.628 2.628 -5.193) 6.386 6.556 ( -4.337 4.337 -3.786) 7.208 7.247 ( 1.342 -1.342 -6.568) 6.836 7.296 ( 0.276 -0.276 -3.199) 3.223 7.575 ( -2.877 2.877 4.000) 5.706 7.612 ( 2.974 -2.974 0.654) 4.257 7.665 ( 0.197 -0.197 4.274) 4.283 7.785 ( 1.041 -1.041 3.378) 3.685 7.871 ( 4.200 -4.200 10.653) 12.197 16.104 ( 0.156 -0.156 5.960) 5.964 16.161 ( 1.333 -1.333 4.609) 4.979 16.794 ( -1.414 1.414 1.992) 2.822 16.997 ( 0.265 -0.265 2.024) 2.059 17.298 ( 0.784 -0.784 -2.846) 3.054 17.461 ( 0.818 -0.818 -10.037) 10.104 17.537 ( 2.280 -2.280 -7.676) 8.325 18.468 ( -7.361 7.361 -5.723) 11.880======================= Grid point 78 (41/90) =======================q-point: (-0.31 -0.09 0.53)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.389 ( 10.777 1.729 -5.410) 12.182 1.525 ( 10.447 1.367 -5.008) 11.665 1.648 ( -4.335 1.637 4.253) 6.290 1.804 ( -10.242 -3.322 3.387) 11.287 2.224 ( 5.766 4.889 -0.276) 7.565 2.279 ( -3.053 1.302 -1.874) 3.811 3.087 ( -5.956 -2.557 -6.221) 8.984 3.107 ( 5.781 -1.789 7.311) 9.491 3.388 ( 4.483 -10.043 -5.147) 12.143 3.632 ( -8.464 -7.271 6.361) 12.844 4.130 ( 4.222 4.214 4.185) 7.287 4.157 ( -2.220 7.499 0.500) 7.837 4.541 ( 6.382 0.617 0.030) 6.412 4.617 ( -4.043 -0.593 -2.317) 4.697 4.720 ( 0.094 4.100 -7.072) 8.175 4.881 ( -3.763 5.691 4.476) 8.159 5.226 ( 4.122 -0.831 -2.183) 4.738 5.284 ( -1.099 0.985 -2.161) 2.617 6.381 ( -2.609 6.500 -8.360) 10.906 6.525 ( 2.474 5.507 11.407) 12.906 6.883 ( 8.392 -0.026 -4.197) 9.383 7.131 ( -7.868 -2.207 4.422) 9.292 7.410 ( 2.410 -0.037 -5.570) 6.070 7.426 ( 3.154 -2.663 -3.637) 5.502 7.575 ( -2.064 -1.484 2.799) 3.781 7.597 ( -2.584 -1.149 3.233) 4.296 7.839 ( 0.611 -1.434 0.350) 1.598 7.884 ( -2.372 -2.566 2.108) 4.081 16.061 ( -1.356 -1.131 -3.823) 4.211 16.128 ( -0.020 0.201 4.540) 4.545 16.856 ( 1.908 0.085 1.580) 2.478 16.885 ( -2.733 0.425 -0.253) 2.778 17.408 ( -1.809 1.201 -8.450) 8.725 17.518 ( 2.703 2.404 7.054) 7.927 17.771 ( 6.990 -5.608 -6.008) 10.789 17.986 ( -5.337 -3.593 3.181) 7.177======================= Grid point 79 (42/90) =======================q-point: ( 0.69 -0.09 -0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.516 ( -7.181 1.607 3.971) 8.362 1.557 ( 0.715 1.101 -4.606) 4.789 1.662 ( 5.321 -2.391 -1.174) 5.950 1.757 ( 2.961 2.138 5.342) 6.471 2.262 ( -2.048 1.993 -2.892) 4.066 2.339 ( 0.539 1.105 2.362) 2.663 2.925 ( -6.699 0.858 -9.401) 11.576 3.177 ( 2.852 -0.117 4.856) 5.632 3.283 ( 5.894 -9.754 -7.035) 13.393 3.373 ( -0.134 -7.552 8.985) 11.738 4.239 ( -5.439 8.360 0.744) 10.001 4.258 ( -1.546 4.095 -0.388) 4.394 4.541 ( -4.826 2.867 -4.801) 7.386 4.639 ( 2.098 -0.200 0.647) 2.205 4.773 ( 1.711 0.773 -7.858) 8.079 5.018 ( 5.569 1.581 11.034) 12.460 5.274 ( 2.319 -1.282 -1.311) 2.956 5.290 ( -1.144 0.908 3.485) 3.779 6.441 ( -3.991 5.829 -8.288) 10.890 6.686 ( 1.584 4.535 11.082) 12.078 6.953 ( -2.751 -0.315 -0.984) 2.939 7.017 ( 2.500 -1.332 0.310) 2.850 7.425 ( 3.137 -3.105 -2.975) 5.322 7.433 ( -0.271 -1.099 1.028) 1.529 7.496 ( -0.650 -1.102 -3.544) 3.768 7.554 ( -1.224 0.267 3.238) 3.472 7.792 ( -1.136 -1.794 -1.085) 2.384 7.825 ( 0.797 -1.626 0.165) 1.819 16.023 ( -0.656 -0.320 -5.076) 5.128 16.138 ( 0.267 0.138 5.156) 5.165 16.827 ( -2.555 0.966 -1.466) 3.101 16.907 ( 1.943 -0.675 2.109) 2.946 17.395 ( -2.038 1.675 -8.910) 9.292 17.620 ( 3.048 1.837 4.144) 5.463 17.776 ( 1.927 -4.071 0.408) 4.523 17.835 ( 1.091 -5.386 4.533) 7.124======================= Grid point 83 (43/90) =======================q-point: (-0.10 -0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.323 ( -0.000 0.000 -16.775) 16.775 0.323 ( -0.000 0.000 -16.775) 16.775 0.622 ( -0.000 0.000 -31.869) 31.869 1.662 ( -0.000 0.000 -3.848) 3.848 2.562 ( 0.000 -0.000 1.631) 1.631 2.562 ( 0.000 -0.000 1.631) 1.631 3.046 ( 0.000 -0.000 6.822) 6.822 3.046 ( 0.000 -0.000 6.822) 6.822 3.245 ( 0.000 -0.000 2.096) 2.096 3.913 ( 0.000 -0.000 11.466) 11.466 3.913 ( 0.000 -0.000 11.466) 11.466 4.136 ( 0.000 -0.000 0.469) 0.469 4.507 ( -0.000 0.000 -16.260) 16.260 4.507 ( -0.000 0.000 -16.260) 16.260 4.946 ( 0.000 -0.000 0.672) 0.672 4.946 ( 0.000 -0.000 0.672) 0.672 5.440 ( -0.000 0.000 -3.138) 3.138 5.965 ( 0.000 -0.000 10.293) 10.293 6.190 ( -0.000 0.000 -1.019) 1.019 6.319 ( -0.000 0.000 -4.224) 4.224 6.731 ( -0.000 0.000 -6.500) 6.500 7.240 ( -0.000 0.000 -1.924) 1.924 7.240 ( -0.000 0.000 -1.924) 1.924 7.274 ( -0.000 0.000 -1.379) 1.379 7.694 ( 0.000 -0.000 2.167) 2.167 7.737 ( 0.000 -0.000 2.495) 2.495 7.818 ( 0.000 -0.000 2.198) 2.198 7.818 ( 0.000 -0.000 2.198) 2.198 16.209 ( 0.000 -0.000 4.900) 4.900 16.209 ( 0.000 -0.000 4.900) 4.900 16.871 ( 0.000 -0.000 1.298) 1.298 17.042 ( 0.000 -0.000 3.460) 3.460 17.237 ( -0.000 0.000 -4.627) 4.627 17.272 ( -0.000 0.000 -7.341) 7.341 17.272 ( -0.000 0.000 -7.341) 7.341 18.634 ( -0.000 0.000 -1.281) 1.281======================= Grid point 85 (44/90) =======================q-point: (-0.10 -0.10 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.837 ( 8.573 8.573 -6.100) 13.572 0.990 ( 9.770 9.770 -6.120) 15.112 1.629 ( 9.249 9.249 -1.622) 13.180 1.781 ( 7.217 7.217 -5.138) 11.427 2.253 ( -8.081 -8.081 2.352) 11.667 2.385 ( -2.740 -2.740 0.316) 3.887 3.091 ( 0.881 0.881 7.573) 7.674 3.176 ( -1.143 -1.143 -0.355) 1.655 3.285 ( -2.419 -2.419 -2.965) 4.527 4.035 ( 1.565 1.565 5.571) 5.995 4.065 ( 1.360 1.360 6.656) 6.929 4.176 ( 1.508 1.508 3.964) 4.501 4.419 ( -3.701 -3.701 -1.315) 5.397 4.602 ( -0.419 -0.419 -7.646) 7.669 4.642 ( 0.526 0.526 -1.437) 1.618 4.980 ( 1.149 1.149 -1.880) 2.485 5.157 ( 0.075 0.075 -11.145) 11.146 5.176 ( -4.639 -4.639 -2.578) 7.049 6.309 ( 1.342 1.342 -4.000) 4.427 6.519 ( 5.792 5.792 -2.085) 8.453 6.642 ( 2.682 2.682 9.816) 10.523 7.183 ( 2.022 2.022 -7.185) 7.733 7.249 ( 0.050 0.050 -2.154) 2.155 7.482 ( -4.880 -4.880 2.307) 7.277 7.668 ( 0.097 0.097 0.787) 0.799 7.710 ( -0.779 -0.779 1.741) 2.061 7.859 ( 0.211 0.211 1.416) 1.448 8.089 ( -3.347 -3.347 6.844) 8.322 16.087 ( -3.136 -3.136 -3.458) 5.623 16.228 ( 0.478 0.478 5.210) 5.253 16.854 ( 0.535 0.535 3.434) 3.516 17.008 ( -1.024 -1.024 3.010) 3.340 17.313 ( 0.667 0.667 -7.965) 8.020 17.379 ( -0.561 -0.561 -10.131) 10.162 17.502 ( 4.985 4.985 5.476) 8.927 18.163 ( -2.956 -2.956 -2.374) 4.807======================= Grid point 86 (45/90) =======================q-point: (-0.10 -0.10 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.173 ( 8.212 8.212 -3.698) 12.189 1.309 ( 5.984 5.984 -6.667) 10.774 1.767 ( 2.349 2.349 3.478) 4.810 1.926 ( -7.692 -7.692 1.797) 11.025 2.205 ( 9.333 9.333 -1.358) 13.268 2.295 ( -1.772 -1.772 -0.785) 2.625 3.028 ( -5.045 -5.045 -4.463) 8.416 3.049 ( -3.794 -3.794 -0.403) 5.380 3.214 ( 0.002 0.002 0.802) 0.802 3.834 ( -8.848 -8.848 10.938) 16.620 4.193 ( 4.943 4.943 2.341) 7.372 4.352 ( 4.275 4.275 6.257) 8.701 4.388 ( 1.818 1.818 -8.929) 9.292 4.613 ( -0.853 -0.853 -1.230) 1.724 4.625 ( -0.147 -0.147 -6.561) 6.564 5.033 ( 1.413 1.413 -3.865) 4.351 5.101 ( 1.604 1.604 3.272) 3.981 5.259 ( 3.786 3.786 -2.040) 5.730 6.390 ( 2.390 2.390 -3.814) 5.096 6.717 ( 3.959 3.959 -2.981) 6.343 6.787 ( 4.472 4.472 11.313) 12.961 7.233 ( -1.860 -1.860 0.496) 2.676 7.259 ( 1.843 1.843 -7.560) 7.997 7.291 ( -3.386 -3.386 -0.715) 4.841 7.627 ( -2.186 -2.186 1.540) 3.454 7.665 ( -1.336 -1.336 1.774) 2.591 7.847 ( -0.749 -0.749 1.056) 1.496 7.927 ( -4.410 -4.410 2.434) 6.694 15.990 ( -1.734 -1.734 -3.229) 4.055 16.249 ( 0.529 0.529 5.537) 5.587 16.872 ( 0.138 0.138 1.223) 1.238 16.963 ( -0.981 -0.981 4.355) 4.571 17.332 ( 0.304 0.304 -8.552) 8.562 17.344 ( -0.936 -0.936 -10.146) 10.232 17.680 ( 3.750 3.750 6.687) 8.535 18.049 ( -2.909 -2.909 1.345) 4.328======================= Grid point 87 (46/90) =======================q-point: (-0.10 -0.10 0.54)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.436 ( 4.176 4.176 -2.031) 6.245 1.449 ( 1.499 1.499 -7.036) 7.349 1.684 ( -3.396 -3.396 2.551) 5.438 1.879 ( 2.048 2.048 3.677) 4.681 2.248 ( -0.572 -0.572 -1.552) 1.750 2.434 ( 2.356 2.356 3.868) 5.105 2.876 ( -1.988 -1.988 -8.096) 8.571 2.888 ( -2.984 -2.984 -5.181) 6.683 3.238 ( 0.671 0.671 2.120) 2.322 3.552 ( -4.339 -4.339 12.978) 14.356 4.313 ( 0.992 0.992 0.282) 1.431 4.406 ( -0.365 -0.365 -13.571) 13.581 4.465 ( 1.023 1.023 5.016) 5.221 4.628 ( 1.087 1.087 -1.118) 1.901 4.661 ( 1.732 1.732 -2.421) 3.444 5.077 ( 0.647 0.647 -4.912) 4.996 5.208 ( 2.143 2.143 7.935) 8.493 5.384 ( 1.920 1.920 1.799) 3.257 6.466 ( 1.152 1.152 -3.026) 3.436 6.813 ( 0.960 0.960 -4.026) 4.249 6.946 ( 2.680 2.680 11.890) 12.479 7.115 ( -1.913 -1.913 2.704) 3.825 7.253 ( -0.239 -0.239 -3.243) 3.260 7.334 ( 1.896 1.896 -7.707) 8.160 7.517 ( -2.628 -2.628 1.918) 4.182 7.627 ( -0.531 -0.531 1.746) 1.901 7.778 ( -2.541 -2.541 0.020) 3.593 7.816 ( -0.540 -0.540 0.889) 1.172 15.948 ( -0.483 -0.483 -2.896) 2.976 16.265 ( 0.236 0.236 5.793) 5.803 16.858 ( -0.508 -0.508 0.087) 0.724 16.949 ( 0.082 0.082 4.759) 4.761 17.317 ( -0.362 -0.362 -9.593) 9.607 17.338 ( 0.049 0.049 -8.980) 8.981 17.793 ( 1.921 1.921 5.524) 6.156 17.946 ( -1.976 -1.976 4.701) 5.469======================= Grid point 92 (47/90) =======================q-point: ( 0.11 -0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.688 ( 0.000 16.818 0.000) 16.818 0.770 ( 0.000 18.965 0.000) 18.965 1.094 ( 0.000 25.510 0.000) 25.510 1.671 ( 0.000 2.044 0.000) 2.044 2.426 ( -0.000 -7.000 -0.000) 7.000 2.487 ( -0.000 -7.505 -0.000) 7.505 3.158 ( 0.000 1.734 0.000) 1.734 3.183 ( 0.000 2.603 0.000) 2.603 3.452 ( 0.000 8.244 0.000) 8.244 4.048 ( -0.000 -0.734 -0.000) 0.734 4.064 ( -0.000 -8.921 -0.000) 8.921 4.170 ( -0.000 -3.475 -0.000) 3.475 4.336 ( 0.000 5.914 0.000) 5.914 4.688 ( -0.000 -1.983 -0.000) 1.983 4.837 ( -0.000 -4.610 -0.000) 4.610 4.846 ( -0.000 -2.385 -0.000) 2.385 4.866 ( 0.000 4.899 0.000) 4.899 5.245 ( -0.000 -7.612 -0.000) 7.612 6.172 ( -0.000 -4.345 -0.000) 4.345 6.379 ( 0.000 8.799 0.000) 8.799 6.695 ( 0.000 1.831 0.000) 1.831 7.051 ( 0.000 3.170 0.000) 3.170 7.304 ( 0.000 3.529 0.000) 3.529 7.599 ( 0.000 0.402 0.000) 0.402 7.605 ( -0.000 -5.526 -0.000) 5.526 7.745 ( -0.000 -0.905 -0.000) 0.905 7.861 ( 0.000 0.877 0.000) 0.877 8.286 ( -0.000 -4.840 -0.000) 4.840 16.171 ( -0.000 -3.311 -0.000) 3.311 16.206 ( -0.000 -2.567 -0.000) 2.567 16.887 ( 0.000 0.158 0.000) 0.158 16.926 ( -0.000 -4.571 -0.000) 4.571 17.358 ( 0.000 8.235 0.000) 8.235 17.362 ( 0.000 0.917 0.000) 0.917 17.410 ( 0.000 6.697 0.000) 6.697 18.147 ( -0.000 -2.101 -0.000) 2.101======================= Grid point 93 (48/90) =======================q-point: ( 0.11 -0.11 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.040 ( 3.239 14.024 -0.000) 14.394 1.062 ( -4.421 18.183 0.000) 18.712 1.692 ( 11.533 18.119 -0.000) 21.478 1.725 ( 1.217 2.145 -0.000) 2.466 2.215 ( -5.001 -10.005 0.000) 11.185 2.332 ( -0.015 -6.347 -0.000) 6.347 3.154 ( -2.450 -3.334 0.000) 4.138 3.206 ( -0.173 0.876 0.000) 0.893 3.468 ( -13.364 6.595 0.000) 14.903 3.906 ( 3.969 -8.661 -0.000) 9.527 4.122 ( 5.203 2.751 -0.000) 5.885 4.146 ( 5.728 -4.139 -0.000) 7.067 4.483 ( 1.926 6.373 -0.000) 6.657 4.539 ( -8.367 -4.739 0.000) 9.616 4.674 ( -3.346 -1.106 0.000) 3.524 4.933 ( 4.196 1.651 -0.000) 4.509 5.025 ( 3.914 6.118 -0.000) 7.263 5.082 ( 0.083 -6.628 -0.000) 6.628 6.146 ( 5.223 -3.600 -0.000) 6.344 6.584 ( 1.409 9.503 -0.000) 9.607 6.760 ( 2.566 2.527 -0.000) 3.601 7.122 ( 0.386 3.199 -0.000) 3.222 7.331 ( -3.735 4.006 0.000) 5.476 7.449 ( -2.190 -7.813 0.000) 8.115 7.637 ( 2.218 -0.597 -0.000) 2.297 7.716 ( -0.454 -1.659 0.000) 1.720 7.874 ( -0.257 0.205 0.000) 0.329 8.140 ( -3.202 -6.177 0.000) 6.958 16.055 ( -3.362 -2.554 0.000) 4.222 16.212 ( 3.723 -2.475 -0.000) 4.471 16.870 ( 1.680 -3.417 -0.000) 3.808 16.905 ( 2.220 -1.285 -0.000) 2.565 17.327 ( -4.157 2.328 0.000) 4.764 17.472 ( -6.189 6.911 0.000) 9.277 17.592 ( 4.041 7.893 -0.000) 8.867 18.102 ( 0.107 -2.918 -0.000) 2.920======================= Grid point 94 (49/90) =======================q-point: ( 0.11 -0.11 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.320 ( 1.267 9.149 -0.000) 9.237 1.340 ( -1.722 15.984 0.000) 16.076 1.810 ( 2.596 2.911 -0.000) 3.901 1.884 ( -4.988 -10.234 0.000) 11.385 2.183 ( 8.231 8.941 -0.000) 12.153 2.232 ( 1.108 -4.608 -0.000) 4.739 2.922 ( -4.378 -10.242 0.000) 11.138 3.227 ( 0.980 -0.040 -0.000) 0.981 3.276 ( -15.754 5.159 0.000) 16.577 3.827 ( 1.893 -8.425 -0.000) 8.635 4.214 ( 11.160 -7.169 -0.000) 13.264 4.243 ( 1.379 0.573 -0.000) 1.493 4.356 ( -4.866 1.677 0.000) 5.147 4.597 ( -1.481 4.732 0.000) 4.959 4.617 ( -1.530 0.751 0.000) 1.704 5.067 ( 1.464 5.875 -0.000) 6.055 5.101 ( 6.204 2.579 -0.000) 6.718 5.227 ( 4.708 4.997 -0.000) 6.866 6.216 ( 7.557 -2.907 -0.000) 8.097 6.771 ( -0.335 7.586 0.000) 7.593 6.902 ( 5.892 3.293 -0.000) 6.750 7.179 ( -0.208 2.195 0.000) 2.205 7.236 ( -2.371 -8.190 0.000) 8.526 7.335 ( -4.115 4.336 0.000) 5.978 7.622 ( -0.805 -2.581 0.000) 2.704 7.667 ( -0.545 -2.054 0.000) 2.125 7.851 ( -1.065 -1.175 0.000) 1.586 7.946 ( -4.012 -5.439 0.000) 6.758 15.962 ( -1.966 -1.431 0.000) 2.431 16.241 ( 3.681 -2.172 -0.000) 4.274 16.830 ( 1.949 -4.186 -0.000) 4.618 16.929 ( 2.032 -0.637 -0.000) 2.130 17.296 ( -3.984 2.735 0.000) 4.833 17.464 ( -7.629 6.519 0.000) 10.035 17.797 ( 1.450 6.886 -0.000) 7.037 18.035 ( -0.659 -3.053 0.000) 3.123======================= Grid point 95 (50/90) =======================q-point: ( 0.11 -0.11 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.446 ( -1.957 4.834 0.000) 5.215 1.577 ( -2.266 9.852 0.000) 10.109 1.651 ( -1.993 -4.571 0.000) 4.987 1.918 ( 1.839 2.142 -0.000) 2.823 2.176 ( 2.402 -3.839 -0.000) 4.529 2.397 ( 3.918 0.211 -0.000) 3.923 2.683 ( 1.117 -8.670 -0.000) 8.742 3.116 ( -12.854 8.383 0.000) 15.346 3.240 ( 1.401 -1.006 -0.000) 1.725 3.680 ( -1.432 -3.980 0.000) 4.230 4.220 ( -0.266 -1.653 0.000) 1.675 4.286 ( 12.056 -9.097 -0.000) 15.103 4.333 ( 0.683 -1.783 -0.000) 1.910 4.648 ( -0.911 3.231 0.000) 3.357 4.653 ( -3.702 5.675 0.000) 6.776 5.190 ( -2.694 6.717 0.000) 7.237 5.293 ( 3.243 3.958 -0.000) 5.117 5.369 ( 3.079 0.625 -0.000) 3.141 6.291 ( 6.697 -4.451 -0.000) 8.041 6.843 ( -2.765 3.137 0.000) 4.181 7.085 ( 6.234 1.065 -0.000) 6.325 7.092 ( 0.523 -3.653 -0.000) 3.691 7.200 ( -0.834 1.206 0.000) 1.466 7.339 ( -4.462 4.621 0.000) 6.423 7.527 ( -1.904 -2.683 0.000) 3.290 7.627 ( 0.248 -1.414 -0.000) 1.436 7.772 ( -1.878 -2.554 0.000) 3.170 7.833 ( -1.029 -0.666 0.000) 1.226 15.919 ( -0.504 -0.543 0.000) 0.741 16.264 ( 3.105 -2.430 -0.000) 3.943 16.793 ( 2.329 -3.527 -0.000) 4.227 16.952 ( 1.446 -0.696 -0.000) 1.604 17.280 ( -3.613 3.214 0.000) 4.835 17.443 ( -7.209 6.530 0.000) 9.727 17.909 ( -1.933 4.864 0.000) 5.234 17.974 ( -0.066 -1.850 -0.000) 1.851======================= Grid point 101 (51/90) =======================q-point: ( 0.32 -0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.298 ( 0.000 13.399 0.692) 13.416 1.470 ( 0.000 14.546 1.723) 14.647 1.702 ( -0.000 -1.641 -3.885) 4.217 1.917 ( 0.000 8.086 0.579) 8.107 2.120 ( -0.000 -4.683 -2.345) 5.237 2.151 ( 0.000 -6.097 3.647) 7.104 3.149 ( 0.000 -3.328 1.338) 3.587 3.151 ( 0.000 -6.702 2.457) 7.138 3.665 ( -0.000 -1.382 -3.305) 3.582 3.845 ( -0.000 -3.470 -7.508) 8.272 3.927 ( 0.000 9.172 4.092) 10.043 4.108 ( 0.000 -5.216 5.663) 7.699 4.546 ( -0.000 3.484 -4.659) 5.818 4.549 ( 0.000 -7.360 5.083) 8.944 4.712 ( -0.000 2.396 -3.111) 3.927 4.783 ( -0.000 6.310 -10.846) 12.548 5.067 ( 0.000 -3.075 9.645) 10.123 5.218 ( 0.000 5.644 4.785) 7.400 6.082 ( 0.000 -1.709 5.016) 5.299 6.626 ( -0.000 2.586 -11.127) 11.424 6.826 ( 0.000 10.139 2.522) 10.447 7.256 ( -0.000 -9.969 -3.197) 10.469 7.271 ( 0.000 3.102 7.059) 7.711 7.468 ( 0.000 2.979 1.913) 3.540 7.610 ( 0.000 -0.581 0.441) 0.730 7.658 ( -0.000 -2.524 -2.098) 3.282 7.880 ( -0.000 0.163 -0.171) 0.236 8.006 ( -0.000 -6.005 -2.859) 6.651 16.080 ( 0.000 -0.522 0.383) 0.647 16.108 ( 0.000 -3.541 1.769) 3.958 16.797 ( 0.000 -3.537 2.602) 4.391 16.892 ( -0.000 1.128 -0.781) 1.372 17.392 ( -0.000 0.376 -0.368) 0.526 17.560 ( -0.000 6.665 -6.755) 9.489 17.827 ( 0.000 9.054 4.665) 10.185 18.046 ( -0.000 -4.185 0.870) 4.274======================= Grid point 102 (52/90) =======================q-point: ( 0.32 -0.12 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.510 ( -1.780 7.810 -0.955) 8.067 1.650 ( -1.259 -3.363 -4.243) 5.559 1.721 ( 1.599 8.568 -2.640) 9.107 1.801 ( -2.740 -3.064 -3.947) 5.699 2.097 ( 2.760 -4.372 3.963) 6.514 2.254 ( 3.159 6.997 0.839) 7.723 2.844 ( -5.552 -12.892 6.925) 15.652 3.127 ( 5.438 -6.498 2.643) 8.876 3.656 ( 0.136 -2.743 -1.951) 3.369 3.676 ( -9.368 0.260 -1.048) 9.430 3.920 ( 1.100 -4.903 2.502) 5.613 4.179 ( 1.233 1.475 -1.941) 2.732 4.413 ( -0.247 -5.220 4.776) 7.079 4.664 ( 1.329 6.319 -5.663) 8.589 4.793 ( -2.959 9.528 -2.523) 10.291 4.954 ( 5.548 4.469 -5.254) 8.851 5.122 ( 5.106 2.897 4.082) 7.151 5.344 ( -0.275 6.808 1.629) 7.006 6.115 ( 3.059 0.775 4.001) 5.096 6.708 ( 3.647 2.321 -11.368) 12.163 6.992 ( -2.298 2.482 1.871) 3.865 7.054 ( 0.621 -4.422 -1.660) 4.764 7.323 ( -0.152 2.134 7.170) 7.482 7.501 ( -2.101 3.021 1.797) 4.095 7.583 ( -0.829 -2.212 -0.604) 2.439 7.602 ( -0.005 -2.947 -1.839) 3.473 7.851 ( -1.534 -2.596 0.512) 3.059 7.879 ( -0.687 -4.152 -0.374) 4.225 16.002 ( -2.336 -1.786 2.367) 3.774 16.123 ( 3.055 -1.340 0.434) 3.364 16.746 ( 0.802 -2.845 1.857) 3.491 16.918 ( 0.565 0.891 0.412) 1.132 17.378 ( -2.058 1.057 -1.696) 2.869 17.666 ( -0.881 4.192 -3.999) 5.860 17.936 ( -2.492 0.568 -1.008) 2.747 18.012 ( -1.050 5.984 0.985) 6.154======================= Grid point 103 (53/90) =======================q-point: (-0.68 -0.12 0.34)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.454 ( 0.231 -6.707 -6.204) 9.139 1.569 ( -2.043 1.654 -5.595) 6.182 1.821 ( 2.881 1.034 -4.755) 5.655 1.942 ( -3.081 10.474 0.961) 10.960 2.076 ( 2.478 -2.933 4.184) 5.679 2.362 ( 0.307 0.836 -0.443) 0.995 2.546 ( 0.891 -10.270 9.408) 13.956 3.114 ( 6.744 -7.025 2.977) 10.183 3.469 ( -5.639 -0.584 -0.715) 5.714 3.640 ( -3.712 2.064 0.301) 4.257 3.886 ( 6.910 -7.076 0.200) 9.892 4.185 ( -0.597 0.118 -2.184) 2.267 4.334 ( -0.029 -2.165 4.462) 4.960 4.784 ( -1.941 6.097 -1.455) 6.562 4.872 ( -6.039 7.010 -2.862) 9.686 5.186 ( 8.341 0.282 -2.352) 8.671 5.295 ( 2.187 6.835 -2.089) 7.474 5.418 ( -4.347 3.493 -1.040) 5.673 6.182 ( 1.494 0.606 2.849) 3.274 6.820 ( 3.221 -4.507 -4.497) 7.134 6.850 ( 3.227 -2.690 -7.473) 8.573 7.133 ( -3.326 6.146 1.985) 7.265 7.353 ( 0.024 1.247 7.697) 7.797 7.493 ( -1.797 -2.693 -1.495) 3.566 7.513 ( -2.360 2.591 1.333) 3.749 7.558 ( 0.707 -1.934 -1.403) 2.492 7.755 ( -0.485 -2.769 1.441) 3.159 7.830 ( 0.120 -1.362 0.747) 1.558 15.944 ( -0.720 -0.814 2.600) 2.818 16.148 ( 2.589 -1.887 0.337) 3.221 16.715 ( 0.964 -1.851 1.330) 2.474 16.943 ( 0.492 0.330 0.859) 1.044 17.364 ( -2.173 1.833 -2.148) 3.563 17.700 ( -2.514 3.179 0.575) 4.094 17.875 ( 0.151 -2.408 -4.705) 5.288 18.111 ( -6.069 9.171 -1.316) 11.075======================= Grid point 110 (54/90) =======================q-point: (-0.47 -0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.282 ( -0.000 -9.190 -11.805) 14.961 1.431 ( -0.000 -12.117 -9.846) 15.613 1.717 ( 0.000 5.708 -0.294) 5.716 1.866 ( -0.000 -1.468 -1.867) 2.375 2.155 ( 0.000 6.188 1.488) 6.365 2.342 ( 0.000 4.720 -0.899) 4.805 2.895 ( 0.000 -10.123 11.857) 15.591 2.949 ( 0.000 -10.447 8.931) 13.744 3.563 ( -0.000 -7.360 -1.588) 7.530 3.659 ( 0.000 0.966 1.524) 1.805 3.897 ( 0.000 -6.516 4.569) 7.958 4.208 ( -0.000 -1.911 -0.804) 2.073 4.558 ( 0.000 7.686 4.251) 8.784 4.608 ( -0.000 7.234 -6.632) 9.814 4.859 ( -0.000 6.665 -10.733) 12.634 4.888 ( -0.000 4.323 -2.721) 5.108 5.278 ( 0.000 6.623 3.577) 7.527 5.442 ( -0.000 5.425 -4.683) 7.167 6.248 ( 0.000 4.881 4.763) 6.820 6.485 ( -0.000 2.737 -11.812) 12.125 6.735 ( -0.000 -12.114 -3.648) 12.652 7.272 ( 0.000 7.945 4.036) 8.911 7.451 ( -0.000 -3.298 -4.909) 5.914 7.466 ( 0.000 -0.563 2.204) 2.274 7.555 ( 0.000 -0.889 2.649) 2.794 7.620 ( 0.000 1.242 1.621) 2.042 7.804 ( 0.000 -3.455 2.066) 4.025 7.866 ( 0.000 -2.645 4.111) 4.888 16.028 ( 0.000 -1.604 2.077) 2.624 16.135 ( 0.000 -0.063 4.338) 4.339 16.744 ( 0.000 -1.333 2.578) 2.902 16.947 ( 0.000 1.311 0.667) 1.471 17.352 ( -0.000 -0.811 -2.576) 2.701 17.603 ( -0.000 2.547 -8.285) 8.668 17.840 ( -0.000 -5.261 -3.234) 6.175 18.232 ( 0.000 9.799 -1.514) 9.915======================= Grid point 111 (55/90) =======================q-point: (-0.47 -0.13 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.118 ( 1.231 -7.604 -12.052) 14.304 1.232 ( 3.547 -8.906 -13.122) 16.251 1.806 ( -0.039 2.571 -3.856) 4.635 1.851 ( 4.979 -4.872 -7.701) 10.384 2.282 ( -2.980 8.505 1.793) 9.189 2.399 ( -1.382 1.880 0.518) 2.390 2.629 ( -2.444 -7.009 14.742) 16.505 2.885 ( 9.089 -10.056 11.006) 17.460 3.390 ( 0.294 -6.688 -0.318) 6.702 3.703 ( 2.619 0.197 2.997) 3.985 3.790 ( -0.317 -4.342 4.325) 6.136 4.156 ( 0.214 -1.865 -0.094) 1.879 4.567 ( -9.216 8.765 1.038) 12.761 4.843 ( 1.134 6.942 -6.528) 9.596 4.945 ( -2.099 3.800 -9.517) 10.460 4.992 ( 4.410 -0.988 -1.731) 4.839 5.418 ( -0.386 8.285 0.718) 8.325 5.519 ( -3.018 2.981 -3.560) 5.538 6.334 ( -4.974 7.194 -0.815) 8.784 6.535 ( 3.429 -9.585 -2.920) 10.590 6.604 ( 3.572 3.222 -9.626) 10.761 7.358 ( -2.263 2.067 0.455) 3.099 7.398 ( 0.990 -2.465 -4.739) 5.432 7.439 ( -1.532 1.093 0.930) 2.099 7.536 ( -0.749 0.084 6.478) 6.522 7.644 ( 0.178 0.855 1.696) 1.908 7.748 ( 0.631 -2.235 3.339) 4.067 7.799 ( 1.661 -4.681 5.281) 7.250 16.006 ( -0.081 -0.477 4.087) 4.116 16.119 ( 1.148 -2.202 4.198) 4.877 16.733 ( -0.728 0.667 1.804) 2.056 16.965 ( 0.405 0.074 1.644) 1.695 17.355 ( 0.144 0.572 -3.266) 3.319 17.647 ( 1.555 0.804 -8.409) 8.589 17.731 ( -1.055 -4.048 -5.336) 6.780 18.383 ( -5.039 9.638 -3.095) 11.308======================= Grid point 116 (56/90) =======================q-point: ( 0.53 -0.13 -0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.267 ( -6.931 6.931 5.863) 11.422 1.447 ( -6.828 6.828 6.353) 11.559 1.709 ( 0.377 -0.377 -1.389) 1.488 1.887 ( 7.277 -7.277 -1.933) 10.472 2.222 ( -6.296 6.296 0.101) 8.904 2.316 ( 1.128 -1.128 1.415) 2.132 2.991 ( -2.151 2.151 -7.184) 7.802 3.128 ( 2.731 -2.731 5.163) 6.448 3.244 ( 3.255 -3.255 4.539) 6.464 3.642 ( 10.270 -10.270 -8.947) 17.058 4.133 ( -7.160 7.160 -3.503) 10.715 4.249 ( -3.897 3.897 -3.842) 6.718 4.485 ( -4.219 4.219 1.000) 6.050 4.649 ( 1.841 -1.841 2.384) 3.530 4.773 ( -0.777 0.777 6.868) 6.955 5.042 ( 3.610 -3.610 -0.925) 5.188 5.129 ( -2.361 2.361 5.723) 6.625 5.302 ( -0.454 0.454 2.068) 2.165 6.493 ( -2.956 2.956 4.802) 6.367 6.568 ( -3.263 3.263 -8.748) 9.891 6.790 ( -4.501 4.501 4.264) 7.662 7.184 ( 4.570 -4.570 -3.958) 7.579 7.342 ( 0.442 -0.442 3.898) 3.948 7.393 ( -1.675 1.675 6.160) 6.600 7.582 ( 2.106 -2.106 -3.265) 4.419 7.612 ( 1.703 -1.703 -3.695) 4.410 7.819 ( 0.535 -0.535 -1.796) 1.949 7.877 ( 2.484 -2.484 -2.397) 4.252 16.067 ( 1.599 -1.599 4.380) 4.930 16.128 ( -0.365 0.365 -6.550) 6.570 16.828 ( -1.368 1.368 -2.843) 3.439 16.924 ( 1.687 -1.687 -0.016) 2.386 17.518 ( -2.218 2.218 -6.444) 7.167 17.531 ( -0.616 0.616 11.362) 11.395 17.544 ( 0.029 -0.029 7.017) 7.017 18.004 ( 5.003 -5.003 -3.155) 7.746======================= Grid point 119 (57/90) =======================q-point: (-0.26 -0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.691 ( -0.000 -5.657 -15.280) 16.294 0.741 ( -0.000 -9.707 -13.771) 16.848 1.306 ( -0.000 -9.560 -23.904) 25.745 1.757 ( -0.000 0.070 -5.075) 5.075 2.485 ( 0.000 3.992 2.871) 4.917 2.493 ( 0.000 2.693 1.931) 3.314 2.868 ( 0.000 -3.151 13.622) 13.982 2.878 ( 0.000 -3.392 13.360) 13.783 3.259 ( 0.000 -6.225 2.431) 6.683 3.751 ( 0.000 0.382 5.298) 5.312 3.816 ( 0.000 -5.113 7.452) 9.037 4.131 ( 0.000 -1.052 0.951) 1.418 4.761 ( -0.000 5.133 -13.548) 14.488 4.785 ( -0.000 1.989 -13.131) 13.280 4.893 ( 0.000 3.842 0.172) 3.846 4.901 ( 0.000 1.627 0.584) 1.729 5.496 ( -0.000 2.972 -6.104) 6.789 5.655 ( 0.000 8.239 4.852) 9.562 6.280 ( -0.000 -6.363 -1.908) 6.643 6.411 ( -0.000 2.406 -8.058) 8.410 6.613 ( -0.000 14.387 -5.255) 15.317 7.234 ( -0.000 -0.951 -6.385) 6.455 7.310 ( -0.000 -2.001 -2.861) 3.491 7.549 ( -0.000 -8.061 0.611) 8.084 7.604 ( 0.000 3.070 3.969) 5.017 7.663 ( 0.000 0.220 4.948) 4.953 7.773 ( 0.000 -1.249 3.497) 3.713 7.826 ( 0.000 -6.713 8.845) 11.103 16.092 ( 0.000 0.835 5.247) 5.313 16.153 ( 0.000 -4.077 6.413) 7.599 16.813 ( 0.000 2.038 1.828) 2.738 16.992 ( 0.000 -0.454 2.277) 2.322 17.286 ( -0.000 2.154 -5.246) 5.670 17.456 ( -0.000 -0.980 -9.102) 9.155 17.513 ( -0.000 -5.476 -7.837) 9.561 18.551 ( -0.000 9.810 -4.954) 10.990======================= Grid point 123 (58/90) =======================q-point: (-0.26 -0.14 0.59)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.428 ( 8.861 2.498 -4.506) 10.250 1.569 ( 4.771 2.658 -7.714) 9.451 1.669 ( -4.712 -0.569 5.404) 7.192 1.759 ( -3.970 -0.425 3.371) 5.225 2.293 ( -1.268 0.192 -2.337) 2.666 2.311 ( 2.693 3.580 2.135) 4.963 3.042 ( -3.429 -1.790 -6.242) 7.343 3.081 ( 4.079 -1.146 2.509) 4.924 3.217 ( 0.587 -6.431 -4.445) 7.840 3.459 ( -7.513 -9.044 9.867) 15.349 4.241 ( 3.163 5.624 0.915) 6.516 4.292 ( 0.197 5.389 3.333) 6.339 4.578 ( 3.891 3.357 -1.554) 5.369 4.618 ( -1.550 1.105 -1.372) 2.346 4.762 ( -1.018 -0.070 -11.076) 11.123 4.972 ( -1.448 3.353 8.223) 8.998 5.203 ( 4.169 -1.265 -4.277) 6.105 5.308 ( -0.201 1.277 1.277) 1.817 6.501 ( -1.787 5.104 -7.762) 9.460 6.635 ( 3.312 5.360 11.480) 13.096 6.888 ( 5.226 0.624 -4.783) 7.112 7.085 ( -5.286 -2.363 4.502) 7.334 7.363 ( 2.424 -2.638 -4.235) 5.548 7.425 ( 1.333 0.665 -4.728) 4.958 7.530 ( -2.654 -2.693 2.142) 4.346 7.583 ( -1.462 -0.423 3.817) 4.109 7.812 ( -0.180 -1.300 0.812) 1.543 7.830 ( -2.004 -2.756 0.882) 3.520 16.040 ( -1.085 -0.897 -4.849) 5.049 16.134 ( 0.232 0.341 6.233) 6.247 16.859 ( 1.201 0.200 1.078) 1.627 16.885 ( -1.685 -0.341 0.871) 1.927 17.451 ( -3.658 3.093 -10.470) 11.514 17.564 ( 2.572 1.992 4.768) 5.772 17.660 ( 6.613 -5.098 -4.821) 9.642 17.905 ( -4.892 -4.415 5.740) 8.739======================= Grid point 124 (59/90) =======================q-point: ( 0.74 -0.14 -0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.551 ( 2.239 -2.239 -3.776) 4.928 1.560 ( -2.765 2.765 3.872) 5.503 1.630 ( 0.455 -0.455 -7.282) 7.310 1.787 ( -0.549 0.549 7.345) 7.386 2.286 ( -0.574 0.574 -3.330) 3.428 2.357 ( -0.681 0.681 3.755) 3.876 2.967 ( -3.099 3.099 -9.305) 10.285 3.114 ( 6.409 -6.409 -9.158) 12.885 3.183 ( 0.374 -0.374 5.221) 5.248 3.266 ( 2.303 -2.303 12.393) 12.814 4.311 ( -1.535 1.535 -1.073) 2.421 4.352 ( -2.537 2.537 3.578) 5.066 4.613 ( -3.969 3.969 -6.141) 8.320 4.666 ( -2.209 2.209 -0.295) 3.138 4.755 ( 2.393 -2.393 -10.832) 11.348 5.017 ( 1.049 -1.049 13.707) 13.787 5.230 ( 2.188 -2.188 -5.382) 6.208 5.319 ( -1.067 1.067 5.389) 5.597 6.536 ( -3.469 3.469 -7.613) 9.057 6.741 ( -0.868 0.868 10.990) 11.059 6.937 ( 1.312 -1.312 -5.377) 5.688 7.013 ( -0.898 0.898 4.479) 4.656 7.360 ( 2.748 -2.748 -4.472) 5.924 7.422 ( -0.019 0.019 4.260) 4.260 7.486 ( 0.147 -0.147 -5.710) 5.714 7.565 ( -0.638 0.638 3.583) 3.695 7.768 ( 0.333 -0.333 -1.155) 1.247 7.798 ( 0.905 -0.905 0.942) 1.589 16.021 ( -0.104 0.104 -5.291) 5.294 16.140 ( -0.031 0.031 6.401) 6.401 16.846 ( -0.944 0.944 -0.793) 1.553 16.891 ( 0.850 -0.850 2.339) 2.630 17.444 ( -3.338 3.338 -10.590) 11.594 17.614 ( 3.117 -3.117 -7.487) 8.688 17.716 ( 3.315 -3.315 5.368) 7.127 17.763 ( -0.306 0.306 10.245) 10.254======================= Grid point 138 (60/90) =======================q-point: ( 0.17 -0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.007 ( 0.000 15.503 0.000) 15.503 1.131 ( 0.000 17.560 0.000) 17.560 1.554 ( 0.000 21.013 0.000) 21.013 1.712 ( 0.000 2.043 0.000) 2.043 2.273 ( -0.000 -8.368 -0.000) 8.368 2.325 ( -0.000 -8.803 -0.000) 8.803 3.177 ( -0.000 -0.183 -0.000) 0.183 3.210 ( -0.000 -0.683 -0.000) 0.683 3.641 ( 0.000 10.955 0.000) 10.955 3.867 ( -0.000 -10.205 -0.000) 10.205 4.039 ( -0.000 -0.616 -0.000) 0.616 4.085 ( -0.000 -5.240 -0.000) 5.240 4.460 ( 0.000 6.818 0.000) 6.818 4.613 ( -0.000 -5.330 -0.000) 5.330 4.762 ( -0.000 -2.405 -0.000) 2.405 4.848 ( 0.000 2.417 0.000) 2.417 4.984 ( 0.000 6.982 0.000) 6.982 5.082 ( -0.000 -8.437 -0.000) 8.437 6.089 ( -0.000 -3.821 -0.000) 3.821 6.570 ( 0.000 10.377 0.000) 10.377 6.735 ( 0.000 2.113 0.000) 2.113 7.118 ( 0.000 3.531 0.000) 3.531 7.377 ( 0.000 3.701 0.000) 3.701 7.471 ( -0.000 -8.066 -0.000) 8.066 7.606 ( 0.000 0.184 0.000) 0.184 7.720 ( -0.000 -1.680 -0.000) 1.680 7.876 ( 0.000 0.622 0.000) 0.622 8.173 ( -0.000 -6.510 -0.000) 6.510 16.113 ( -0.000 -2.480 -0.000) 2.480 16.150 ( -0.000 -3.101 -0.000) 3.101 16.842 ( -0.000 -3.960 -0.000) 3.960 16.891 ( 0.000 0.269 0.000) 0.269 17.381 ( 0.000 1.052 0.000) 1.052 17.539 ( 0.000 6.346 0.000) 6.346 17.540 ( 0.000 10.120 0.000) 10.120 18.098 ( -0.000 -2.892 -0.000) 2.892======================= Grid point 139 (61/90) =======================q-point: ( 0.17 -0.17 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.301 ( 0.664 12.313 0.000) 12.331 1.403 ( -3.970 16.224 0.000) 16.703 1.767 ( 1.646 2.257 -0.000) 2.793 1.946 ( 1.108 0.053 -0.000) 1.109 2.068 ( 0.737 2.617 -0.000) 2.718 2.199 ( 2.370 -6.938 -0.000) 7.332 3.021 ( -5.493 -10.140 0.000) 11.532 3.197 ( 2.325 -2.371 -0.000) 3.320 3.606 ( -17.279 6.794 0.000) 18.566 3.755 ( 4.181 -6.039 -0.000) 7.345 4.035 ( 6.516 -6.880 -0.000) 9.476 4.167 ( 7.014 1.475 -0.000) 7.167 4.457 ( -4.019 -4.409 0.000) 5.966 4.615 ( -0.198 7.432 0.000) 7.435 4.678 ( -4.891 2.323 0.000) 5.415 4.985 ( 4.742 -2.699 -0.000) 5.456 5.002 ( 4.839 4.977 -0.000) 6.941 5.158 ( 2.220 7.380 -0.000) 7.707 6.087 ( 5.086 -2.095 -0.000) 5.501 6.777 ( -0.238 9.913 0.000) 9.916 6.809 ( 3.377 2.313 -0.000) 4.093 7.183 ( -0.189 2.895 0.000) 2.901 7.275 ( -1.449 -9.791 0.000) 9.897 7.410 ( -3.220 3.890 0.000) 5.050 7.619 ( 0.920 -1.258 -0.000) 1.558 7.676 ( -0.312 -2.431 0.000) 2.451 7.871 ( -0.931 -0.491 0.000) 1.052 8.011 ( -2.415 -6.809 0.000) 7.224 16.012 ( -3.054 -1.875 0.000) 3.584 16.162 ( 4.167 -2.462 -0.000) 4.840 16.790 ( 1.760 -3.804 -0.000) 4.191 16.904 ( 0.693 0.343 -0.000) 0.773 17.369 ( -3.082 1.918 0.000) 3.630 17.598 ( -5.422 5.802 0.000) 7.941 17.768 ( 1.309 9.903 -0.000) 9.989 18.039 ( 0.167 -3.345 -0.000) 3.350======================= Grid point 140 (62/90) =======================q-point: ( 0.17 -0.17 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.484 ( -1.902 7.630 0.000) 7.863 1.613 ( -2.120 5.801 0.000) 6.176 1.725 ( -4.724 -0.071 0.000) 4.725 1.871 ( 2.778 3.079 -0.000) 4.147 2.118 ( 3.498 -6.360 -0.000) 7.258 2.319 ( 4.003 4.351 -0.000) 5.912 2.691 ( -2.205 -12.747 0.000) 12.936 3.196 ( 3.392 -3.446 -0.000) 4.835 3.393 ( -14.988 5.849 0.000) 16.089 3.699 ( -0.024 -4.431 -0.000) 4.431 4.048 ( 10.600 -8.938 -0.000) 13.865 4.222 ( 0.241 -1.721 -0.000) 1.738 4.340 ( -0.762 -2.926 0.000) 3.023 4.682 ( -2.896 5.370 0.000) 6.101 4.728 ( -3.705 8.380 0.000) 9.162 5.168 ( 9.069 3.414 -0.000) 9.690 5.195 ( 2.178 6.642 -0.000) 6.990 5.326 ( 1.223 5.167 -0.000) 5.310 6.164 ( 5.736 -1.972 -0.000) 6.066 6.902 ( -3.097 4.124 0.000) 5.158 6.955 ( 6.436 1.967 -0.000) 6.730 7.085 ( 0.319 -5.571 -0.000) 5.580 7.218 ( -0.905 1.745 0.000) 1.966 7.421 ( -3.680 4.168 0.000) 5.561 7.566 ( -1.706 -3.025 0.000) 3.473 7.623 ( 0.131 -2.334 -0.000) 2.338 7.811 ( -1.955 -3.271 0.000) 3.810 7.860 ( -1.478 -2.713 0.000) 3.089 15.938 ( -1.439 -1.100 0.000) 1.811 16.195 ( 3.833 -2.475 -0.000) 4.563 16.752 ( 1.694 -3.385 -0.000) 3.785 16.929 ( 1.024 0.244 -0.000) 1.053 17.350 ( -3.306 2.623 0.000) 4.220 17.584 ( -6.779 5.614 0.000) 8.801 17.948 ( -1.905 8.476 0.000) 8.688 17.976 ( -0.027 -2.874 -0.000) 2.874======================= Grid point 141 (63/90) =======================q-point: ( 0.17 0.83 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.540 ( -4.673 4.673 0.000) 6.608 1.544 ( 3.157 -3.157 -0.000) 4.465 1.793 ( -8.903 8.903 0.000) 12.591 1.941 ( -0.090 0.090 0.000) 0.128 2.088 ( 5.073 -5.073 -0.000) 7.174 2.385 ( 0.934 -0.934 -0.000) 1.321 2.527 ( 6.604 -6.604 -0.000) 9.340 3.196 ( 3.786 -3.786 -0.000) 5.355 3.298 ( -9.461 9.461 0.000) 13.380 3.640 ( 0.423 -0.423 -0.000) 0.598 4.073 ( 11.045 -11.045 -0.000) 15.621 4.197 ( 0.293 -0.293 -0.000) 0.414 4.302 ( 1.759 -1.759 -0.000) 2.487 4.719 ( -3.827 3.827 0.000) 5.412 4.778 ( -6.653 6.653 0.000) 9.409 5.294 ( -3.328 3.328 0.000) 4.706 5.334 ( 3.296 -3.296 -0.000) 4.661 5.371 ( -2.914 2.914 0.000) 4.121 6.205 ( 3.828 -3.828 -0.000) 5.414 6.866 ( 0.850 -0.850 -0.000) 1.203 7.064 ( 3.102 -3.102 -0.000) 4.387 7.068 ( -1.317 1.317 0.000) 1.862 7.223 ( -1.180 1.180 0.000) 1.668 7.427 ( -4.050 4.050 0.000) 5.728 7.495 ( 0.387 -0.387 -0.000) 0.548 7.600 ( 1.287 -1.287 -0.000) 1.820 7.741 ( 0.653 -0.653 -0.000) 0.924 7.826 ( 0.159 -0.159 -0.000) 0.225 15.913 ( 0.076 -0.076 -0.000) 0.107 16.209 ( 3.111 -3.111 -0.000) 4.400 16.733 ( 2.330 -2.330 -0.000) 3.295 16.943 ( 0.411 -0.411 -0.000) 0.581 17.343 ( -3.071 3.071 0.000) 4.343 17.570 ( -6.210 6.210 0.000) 8.783 17.944 ( 1.234 -1.234 -0.000) 1.746 18.014 ( -5.710 5.710 0.000) 8.075======================= Grid point 148 (64/90) =======================q-point: ( 0.38 -0.18 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.537 ( 0.000 10.776 -0.074) 10.776 1.639 ( -0.000 -4.648 -9.760) 10.810 1.724 ( 0.000 10.587 1.777) 10.735 1.832 ( -0.000 -10.280 -6.203) 12.007 2.067 ( 0.000 -1.693 5.349) 5.611 2.217 ( 0.000 8.263 0.969) 8.319 2.946 ( 0.000 -13.020 6.570) 14.584 3.025 ( 0.000 -9.198 3.969) 10.018 3.644 ( -0.000 -0.236 -0.768) 0.804 3.756 ( -0.000 -5.663 -5.163) 7.663 3.963 ( 0.000 -8.758 5.568) 10.378 4.154 ( 0.000 11.555 -0.347) 11.560 4.416 ( 0.000 -5.014 4.574) 6.787 4.636 ( -0.000 5.680 -9.689) 11.232 4.815 ( -0.000 6.824 -1.896) 7.082 4.919 ( -0.000 7.073 -9.765) 12.058 5.056 ( 0.000 2.295 9.846) 10.110 5.346 ( 0.000 7.170 1.818) 7.397 6.085 ( 0.000 2.390 3.905) 4.578 6.670 ( -0.000 2.066 -11.469) 11.653 7.024 ( 0.000 9.805 3.045) 10.267 7.040 ( -0.000 -11.860 -2.893) 12.208 7.325 ( 0.000 2.254 7.015) 7.369 7.522 ( 0.000 2.349 1.431) 2.751 7.590 ( -0.000 -1.459 -0.141) 1.466 7.602 ( -0.000 -3.053 -1.709) 3.499 7.869 ( 0.000 -1.367 0.558) 1.476 7.884 ( -0.000 -6.190 -0.541) 6.214 16.044 ( 0.000 -2.960 1.388) 3.270 16.073 ( 0.000 -0.377 2.070) 2.105 16.738 ( 0.000 -2.397 1.884) 3.049 16.912 ( 0.000 0.856 0.501) 0.992 17.400 ( -0.000 0.428 -1.841) 1.890 17.673 ( -0.000 4.713 -6.453) 7.991 17.964 ( -0.000 -4.081 -0.441) 4.105 18.021 ( 0.000 10.762 2.212) 10.987======================= Grid point 149 (65/90) =======================q-point: (-0.62 -0.18 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.480 ( -2.465 -8.006 -8.581) 11.992 1.606 ( -1.422 -3.226 -9.029) 9.693 1.754 ( 3.188 3.403 -1.831) 5.010 1.916 ( 3.842 3.903 1.174) 5.601 2.089 ( -2.253 5.499 3.213) 6.755 2.356 ( 0.370 3.423 -0.138) 3.445 2.584 ( -4.584 -12.799 9.607) 16.647 2.947 ( 9.579 -11.363 5.188) 15.741 3.557 ( -3.454 -7.120 -2.163) 8.204 3.668 ( 0.843 -0.611 1.203) 1.591 3.818 ( 0.675 -4.908 2.391) 5.501 4.215 ( -1.460 -1.055 -2.444) 3.036 4.383 ( -5.453 4.670 3.575) 8.020 4.807 ( 0.475 7.808 -6.268) 10.024 4.973 ( -1.500 7.711 -3.846) 8.747 5.014 ( 4.934 1.523 -0.511) 5.189 5.226 ( 4.445 7.167 1.064) 8.501 5.476 ( -1.677 6.348 -0.446) 6.580 6.180 ( -0.960 6.289 1.600) 6.560 6.749 ( 3.549 1.400 -10.255) 10.941 6.806 ( 1.161 -10.857 -2.534) 11.209 7.186 ( -1.857 7.786 2.682) 8.442 7.356 ( -0.275 1.285 7.019) 7.141 7.529 ( 0.141 -2.026 -2.237) 3.021 7.532 ( -1.625 -2.886 -1.047) 3.474 7.565 ( -0.994 1.049 2.199) 2.632 7.765 ( -0.436 -4.503 1.425) 4.743 7.825 ( 0.339 -2.971 0.933) 3.133 15.968 ( -1.615 -1.556 2.237) 3.167 16.094 ( 2.786 -1.816 2.061) 3.912 16.707 ( 0.030 -0.987 1.218) 1.568 16.932 ( 0.563 0.476 1.073) 1.302 17.398 ( -1.194 1.006 -2.641) 3.068 17.734 ( -0.959 2.574 -3.860) 4.738 17.880 ( -0.485 -3.446 -2.591) 4.338 18.210 ( -3.679 11.245 -0.506) 11.842======================= Grid point 150 (66/90) =======================q-point: (-0.62 -0.18 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.353 ( 3.222 -3.222 -7.874) 9.098 1.565 ( 2.305 -2.305 -12.822) 13.230 1.832 ( -0.335 0.335 -0.575) 0.745 1.992 ( 2.299 -2.299 1.795) 3.714 2.158 ( -7.493 7.493 1.068) 10.651 2.358 ( 1.917 -1.917 4.122) 4.934 2.401 ( 2.695 -2.695 7.031) 7.998 2.931 ( 11.092 -11.092 5.290) 16.554 3.436 ( 2.301 -2.301 -1.256) 3.488 3.665 ( -0.362 0.362 2.862) 2.908 3.781 ( 3.482 -3.482 -0.007) 4.925 4.184 ( 1.078 -1.078 -1.556) 2.178 4.370 ( -6.264 6.264 2.773) 9.283 4.897 ( -5.144 5.144 -2.649) 7.742 4.990 ( -5.066 5.066 -4.254) 8.332 5.133 ( 4.811 -4.811 -2.404) 7.216 5.399 ( -0.834 0.834 3.248) 3.456 5.492 ( -5.475 5.475 -4.689) 9.052 6.237 ( -5.063 5.063 0.308) 7.167 6.680 ( 6.562 -6.562 -1.509) 9.402 6.841 ( 1.095 -1.095 -9.950) 10.070 7.244 ( -4.855 4.855 2.231) 7.219 7.371 ( -0.568 0.568 7.827) 7.868 7.457 ( 0.603 -0.603 -1.862) 2.048 7.508 ( 1.846 -1.846 -2.553) 3.652 7.568 ( -1.720 1.720 2.666) 3.608 7.712 ( 1.585 -1.585 2.187) 3.132 7.795 ( 2.212 -2.212 0.979) 3.277 15.935 ( 0.072 -0.072 2.546) 2.548 16.103 ( 2.664 -2.664 1.869) 4.206 16.698 ( 0.037 -0.037 0.997) 0.998 16.944 ( 0.211 -0.211 1.114) 1.153 17.397 ( -1.398 1.398 -2.683) 3.333 17.750 ( -1.752 1.752 -0.932) 2.647 17.834 ( 1.574 -1.574 -5.227) 5.681 18.289 ( -8.470 8.470 -1.558) 12.080======================= Grid point 157 (67/90) =======================q-point: (-0.41 -0.19 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.110 ( -0.000 -7.924 -14.157) 16.223 1.195 ( -0.000 -11.255 -11.819) 16.321 1.796 ( -0.000 -4.286 -10.867) 11.681 1.807 ( -0.000 3.323 -2.698) 4.280 2.308 ( 0.000 8.063 2.391) 8.410 2.416 ( 0.000 2.717 0.202) 2.725 2.711 ( 0.000 -7.988 14.718) 16.746 2.736 ( 0.000 -10.415 12.528) 16.291 3.387 ( -0.000 -9.847 0.991) 9.897 3.676 ( 0.000 0.792 1.673) 1.851 3.794 ( 0.000 -4.212 4.442) 6.122 4.153 ( -0.000 -2.798 0.403) 2.827 4.725 ( 0.000 8.053 2.174) 8.342 4.771 ( -0.000 8.582 -6.174) 10.571 4.934 ( -0.000 1.377 -3.643) 3.895 4.976 ( -0.000 5.002 -11.262) 12.323 5.422 ( 0.000 6.283 5.807) 8.555 5.544 ( -0.000 4.747 -5.811) 7.503 6.414 ( 0.000 12.312 -1.402) 12.392 6.503 ( -0.000 -11.032 -2.907) 11.409 6.540 ( -0.000 2.777 -10.931) 11.278 7.384 ( 0.000 1.720 0.439) 1.775 7.388 ( -0.000 -2.966 -4.998) 5.811 7.456 ( 0.000 1.723 2.224) 2.814 7.548 ( 0.000 -0.054 6.017) 6.017 7.633 ( 0.000 -0.266 0.190) 0.327 7.743 ( 0.000 -2.703 3.376) 4.325 7.781 ( 0.000 -5.898 6.441) 8.733 16.007 ( 0.000 -0.621 3.148) 3.209 16.105 ( 0.000 -2.911 5.822) 6.509 16.743 ( 0.000 1.182 1.756) 2.117 16.959 ( 0.000 0.030 1.727) 1.727 17.353 ( -0.000 0.848 -4.468) 4.548 17.633 ( -0.000 0.507 -8.422) 8.438 17.741 ( -0.000 -4.736 -5.044) 6.919 18.435 ( -0.000 10.550 -3.272) 11.046======================= Grid point 158 (68/90) =======================q-point: (-0.41 -0.19 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.007 ( 3.354 -3.354 -13.416) 14.230 1.081 ( 6.149 -6.149 -14.749) 17.122 1.760 ( 3.485 -3.485 -15.923) 16.669 1.843 ( -0.932 0.932 -3.929) 4.144 2.412 ( -3.707 3.707 1.555) 5.468 2.424 ( -0.951 0.951 3.562) 3.808 2.553 ( 0.318 -0.318 14.499) 14.506 2.701 ( 7.916 -7.916 14.250) 18.121 3.265 ( 5.342 -5.342 1.933) 7.799 3.700 ( 0.631 -0.631 2.725) 2.867 3.733 ( 1.360 -1.360 2.679) 3.297 4.122 ( 1.295 -1.295 0.934) 2.056 4.737 ( -7.900 7.900 1.449) 11.266 4.947 ( 2.557 -2.557 -0.408) 3.639 4.963 ( -4.113 4.113 -10.070) 11.629 5.010 ( -2.818 2.818 -10.038) 10.800 5.504 ( 0.015 -0.015 7.706) 7.706 5.580 ( -3.665 3.665 -6.396) 8.233 6.377 ( 5.847 -5.847 -2.320) 8.588 6.502 ( -8.199 8.199 -7.152) 13.623 6.672 ( -3.464 3.464 -7.385) 8.862 7.357 ( 0.287 -0.287 -2.876) 2.904 7.357 ( 1.492 -1.492 -4.924) 5.357 7.494 ( -2.680 2.680 4.121) 5.598 7.538 ( -0.105 0.105 6.864) 6.866 7.629 ( 3.787 -3.787 -0.212) 5.359 7.706 ( 2.694 -2.694 6.942) 7.919 7.713 ( 1.322 -1.322 3.891) 4.317 16.001 ( 0.073 -0.073 4.599) 4.600 16.066 ( 2.595 -2.595 4.779) 6.026 16.759 ( -1.558 1.558 1.642) 2.748 16.959 ( 0.448 -0.448 1.706) 1.819 17.371 ( -0.809 0.809 -4.010) 4.170 17.644 ( 1.027 -1.027 -8.657) 8.778 17.673 ( 1.603 -1.603 -6.362) 6.754 18.552 ( -6.797 6.797 -3.299) 10.163======================= Grid point 166 (69/90) =======================q-point: (-0.20 -0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.638 ( -0.000 0.000 -16.125) 16.125 0.638 ( -0.000 0.000 -16.125) 16.125 1.203 ( -0.000 0.000 -28.588) 28.588 1.757 ( -0.000 0.000 -5.700) 5.700 2.520 ( 0.000 -0.000 2.717) 2.717 2.520 ( 0.000 -0.000 2.717) 2.717 2.844 ( 0.000 -0.000 13.872) 13.872 2.844 ( 0.000 -0.000 13.872) 13.872 3.191 ( 0.000 -0.000 3.371) 3.371 3.755 ( 0.000 -0.000 5.179) 5.179 3.755 ( 0.000 -0.000 5.179) 5.179 4.120 ( 0.000 -0.000 1.138) 1.138 4.804 ( -0.000 0.000 -14.074) 14.074 4.804 ( -0.000 0.000 -14.074) 14.074 4.932 ( 0.000 -0.000 0.211) 0.211 4.932 ( 0.000 -0.000 0.211) 0.211 5.526 ( -0.000 0.000 -5.739) 5.739 5.733 ( 0.000 -0.000 13.166) 13.166 6.216 ( -0.000 0.000 -1.601) 1.601 6.436 ( -0.000 0.000 -7.804) 7.804 6.858 ( -0.000 0.000 -6.222) 6.222 7.289 ( -0.000 0.000 -2.987) 2.987 7.289 ( -0.000 0.000 -2.987) 2.987 7.312 ( -0.000 0.000 -2.484) 2.484 7.635 ( 0.000 -0.000 3.881) 3.881 7.665 ( 0.000 -0.000 5.018) 5.018 7.759 ( 0.000 -0.000 3.762) 3.762 7.759 ( 0.000 -0.000 3.762) 3.762 16.101 ( 0.000 -0.000 5.869) 5.869 16.101 ( 0.000 -0.000 5.869) 5.869 16.838 ( 0.000 -0.000 2.027) 2.027 16.984 ( 0.000 -0.000 2.456) 2.456 17.325 ( -0.000 0.000 -4.385) 4.385 17.443 ( -0.000 0.000 -9.810) 9.810 17.443 ( -0.000 0.000 -9.810) 9.810 18.666 ( -0.000 0.000 -2.000) 2.000======================= Grid point 170 (70/90) =======================q-point: (-0.20 -0.20 0.64)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.489 ( 3.503 3.503 -3.413) 6.016 1.606 ( -0.001 -0.001 -4.656) 4.656 1.631 ( -1.662 -1.662 -1.012) 2.559 1.778 ( 1.283 1.283 6.618) 6.862 2.292 ( -0.164 -0.164 -2.941) 2.950 2.357 ( 1.001 1.001 4.004) 4.247 3.025 ( -0.926 -0.926 -8.019) 8.126 3.045 ( -1.002 -1.002 -8.743) 8.858 3.161 ( 0.418 0.418 5.449) 5.481 3.309 ( -5.661 -5.661 11.529) 14.036 4.314 ( 1.549 1.549 -0.666) 2.289 4.358 ( 1.515 1.515 4.022) 4.558 4.654 ( 1.498 1.498 -1.319) 2.495 4.657 ( 3.298 3.298 -2.087) 5.109 4.734 ( -1.662 -1.662 -13.189) 13.397 5.004 ( 0.307 0.307 12.741) 12.748 5.197 ( 0.925 0.925 -6.962) 7.084 5.326 ( 0.372 0.372 4.227) 4.260 6.563 ( 0.925 0.925 -7.315) 7.431 6.720 ( 2.917 2.917 11.244) 11.977 6.909 ( 1.384 1.384 -5.455) 5.796 7.042 ( -1.930 -1.930 4.708) 5.442 7.333 ( -0.151 -0.151 -4.804) 4.808 7.431 ( -0.329 -0.329 0.695) 0.836 7.490 ( -0.960 -0.960 -2.329) 2.696 7.575 ( -0.416 -0.416 3.629) 3.677 7.783 ( -1.718 -1.718 -0.578) 2.497 7.794 ( -0.475 -0.475 1.373) 1.529 16.027 ( -0.461 -0.461 -5.217) 5.257 16.139 ( 0.164 0.164 6.794) 6.798 16.861 ( -0.343 -0.343 -0.427) 0.646 16.879 ( 0.107 0.107 2.359) 2.364 17.510 ( -0.311 -0.311 -9.904) 9.914 17.546 ( 0.180 0.180 -11.862) 11.865 17.646 ( 2.992 2.992 9.409) 10.317 17.820 ( -4.079 -4.079 8.226) 10.047======================= Grid point 184 (71/90) =======================q-point: ( 0.22 -0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.294 ( 0.000 13.596 0.000) 13.596 1.453 ( 0.000 15.012 0.000) 15.012 1.750 ( 0.000 1.865 0.000) 1.865 1.901 ( 0.000 12.982 0.000) 12.982 2.107 ( -0.000 -8.267 -0.000) 8.267 2.154 ( -0.000 -7.368 -0.000) 7.368 3.120 ( -0.000 -8.993 -0.000) 8.993 3.133 ( -0.000 -4.722 -0.000) 4.722 3.707 ( -0.000 -5.285 -0.000) 5.285 3.882 ( 0.000 13.517 0.000) 13.517 3.970 ( -0.000 -6.100 -0.000) 6.100 3.998 ( -0.000 -4.323 -0.000) 4.323 4.494 ( -0.000 -6.511 -0.000) 6.511 4.613 ( 0.000 8.955 0.000) 8.955 4.760 ( 0.000 2.358 0.000) 2.358 4.924 ( 0.000 4.948 0.000) 4.948 4.937 ( -0.000 -5.768 -0.000) 5.768 5.137 ( 0.000 8.445 0.000) 8.445 6.034 ( -0.000 -1.439 -0.000) 1.439 6.775 ( 0.000 1.921 0.000) 1.921 6.779 ( 0.000 10.731 0.000) 10.731 7.185 ( 0.000 3.149 0.000) 3.149 7.290 ( -0.000 -10.298 -0.000) 10.298 7.446 ( 0.000 3.281 0.000) 3.281 7.604 ( -0.000 -0.344 -0.000) 0.344 7.679 ( -0.000 -2.553 -0.000) 2.553 7.882 ( -0.000 -0.200 -0.000) 0.200 8.035 ( -0.000 -7.357 -0.000) 7.357 16.075 ( -0.000 -1.426 -0.000) 1.426 16.088 ( -0.000 -3.130 -0.000) 3.130 16.771 ( -0.000 -3.171 -0.000) 3.171 16.897 ( 0.000 0.371 0.000) 0.371 17.402 ( 0.000 1.031 0.000) 1.031 17.655 ( 0.000 5.320 0.000) 5.320 17.753 ( 0.000 11.514 0.000) 11.514 18.036 ( -0.000 -3.374 -0.000) 3.374======================= Grid point 185 (72/90) =======================q-point: ( 0.22 -0.22 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.520 ( -1.591 9.905 0.000) 10.032 1.663 ( -2.588 6.013 0.000) 6.546 1.817 ( 2.437 2.817 -0.000) 3.724 1.824 ( -5.106 -2.440 0.000) 5.659 2.041 ( 4.232 -7.245 -0.000) 8.391 2.244 ( 3.344 7.698 -0.000) 8.393 2.772 ( -5.811 -14.423 0.000) 15.549 3.097 ( 6.584 -7.900 -0.000) 10.283 3.676 ( 1.919 -2.285 -0.000) 2.983 3.685 ( -13.790 -0.379 0.000) 13.795 3.900 ( 4.390 -6.288 -0.000) 7.669 4.202 ( 2.033 3.654 -0.000) 4.181 4.357 ( -0.739 -5.548 0.000) 5.597 4.767 ( -5.443 6.227 0.000) 8.270 4.789 ( -2.332 10.192 0.000) 10.455 4.972 ( 9.461 0.844 -0.000) 9.499 5.114 ( 5.506 6.128 -0.000) 8.238 5.313 ( 0.261 8.253 0.000) 8.257 6.077 ( 2.980 1.594 -0.000) 3.380 6.849 ( 3.970 1.777 -0.000) 4.350 6.958 ( -2.406 6.687 0.000) 7.107 7.077 ( 0.535 -8.597 -0.000) 8.614 7.233 ( -0.611 2.193 0.000) 2.276 7.480 ( -2.262 3.174 0.000) 3.898 7.588 ( -0.487 -1.933 0.000) 1.993 7.622 ( 0.054 -3.004 -0.000) 3.004 7.847 ( -1.554 -2.719 0.000) 3.132 7.883 ( -0.782 -5.349 0.000) 5.406 15.977 ( -2.577 -1.684 0.000) 3.079 16.117 ( 3.979 -2.192 -0.000) 4.542 16.728 ( 0.795 -2.470 -0.000) 2.595 16.912 ( 0.632 0.449 -0.000) 0.776 17.402 ( -1.900 1.482 0.000) 2.410 17.698 ( -4.474 4.319 0.000) 6.219 17.973 ( 0.343 -3.352 -0.000) 3.370 17.979 ( -1.221 11.505 0.000) 11.569======================= Grid point 186 (73/90) =======================q-point: (-0.78 -0.22 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.520 ( -0.786 -5.965 0.000) 6.017 1.626 ( -3.925 6.862 0.000) 7.905 1.916 ( -0.983 6.524 0.000) 6.597 1.922 ( 1.835 1.949 -0.000) 2.677 1.996 ( 1.694 -2.192 -0.000) 2.771 2.368 ( 0.717 1.032 -0.000) 1.256 2.445 ( 1.272 -11.622 -0.000) 11.692 3.082 ( 7.913 -8.248 -0.000) 11.430 3.469 ( -7.566 1.288 0.000) 7.675 3.646 ( -0.613 -1.235 0.000) 1.379 3.887 ( 7.212 -6.960 -0.000) 10.023 4.224 ( -3.414 2.803 0.000) 4.417 4.270 ( 1.396 -3.766 -0.000) 4.016 4.800 ( -4.619 6.264 0.000) 7.783 4.900 ( -5.453 8.335 0.000) 9.960 5.208 ( 9.066 0.135 -0.000) 9.067 5.309 ( 1.850 4.497 -0.000) 4.862 5.432 ( -2.799 5.558 0.000) 6.223 6.157 ( 0.814 1.650 -0.000) 1.840 6.838 ( 1.322 -7.622 -0.000) 7.736 6.978 ( 5.197 0.297 -0.000) 5.205 7.114 ( -2.566 5.667 0.000) 6.221 7.247 ( -1.208 1.249 0.000) 1.737 7.493 ( -2.630 2.980 0.000) 3.975 7.510 ( -1.572 -2.417 0.000) 2.883 7.577 ( 1.047 -2.319 -0.000) 2.544 7.741 ( -0.410 -3.277 0.000) 3.302 7.823 ( 0.205 -1.603 -0.000) 1.616 15.919 ( -0.789 -0.764 0.000) 1.098 16.143 ( 3.550 -2.821 -0.000) 4.534 16.702 ( 0.857 -1.606 -0.000) 1.820 16.933 ( 0.617 0.152 -0.000) 0.635 17.396 ( -2.178 1.977 0.000) 2.941 17.683 ( -5.120 4.394 0.000) 6.747 17.924 ( 0.810 -2.347 -0.000) 2.482 18.126 ( -5.389 9.415 0.000) 10.848======================= Grid point 195 (74/90) =======================q-point: (-0.57 -0.23 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.518 ( -0.000 -7.236 -11.918) 13.942 1.613 ( -0.000 -10.641 -8.253) 13.467 1.724 ( 0.000 7.437 -0.322) 7.444 1.866 ( 0.000 3.814 1.216) 4.003 2.115 ( 0.000 6.434 3.196) 7.185 2.351 ( 0.000 5.175 -0.166) 5.178 2.678 ( 0.000 -13.492 9.711) 16.624 2.802 ( 0.000 -12.933 5.736) 14.148 3.599 ( -0.000 -10.620 -1.734) 10.761 3.648 ( 0.000 0.507 0.035) 0.508 3.815 ( 0.000 -5.372 3.338) 6.324 4.228 ( -0.000 -3.686 -1.185) 3.872 4.481 ( 0.000 10.787 3.467) 11.330 4.757 ( -0.000 5.959 -7.998) 9.974 4.927 ( -0.000 4.520 -1.794) 4.863 5.052 ( -0.000 6.340 -8.575) 10.664 5.160 ( 0.000 7.201 8.017) 10.776 5.491 ( 0.000 7.332 -0.622) 7.358 6.195 ( 0.000 9.284 1.210) 9.362 6.709 ( -0.000 1.928 -10.821) 10.991 6.796 ( -0.000 -12.726 -2.461) 12.962 7.204 ( 0.000 8.298 2.953) 8.808 7.359 ( 0.000 1.302 6.807) 6.930 7.525 ( -0.000 -2.924 -2.660) 3.953 7.551 ( -0.000 -2.477 -0.696) 2.573 7.575 ( 0.000 1.241 2.413) 2.713 7.770 ( -0.000 -5.204 1.340) 5.373 7.821 ( 0.000 -3.758 1.034) 3.898 15.993 ( 0.000 -2.158 1.418) 2.582 16.056 ( 0.000 -1.519 3.352) 3.680 16.708 ( 0.000 -0.546 1.190) 1.310 16.925 ( 0.000 0.482 1.114) 1.214 17.410 ( -0.000 0.647 -2.746) 2.821 17.742 ( -0.000 2.293 -5.644) 6.092 17.886 ( -0.000 -3.766 -1.627) 4.102 18.247 ( 0.000 12.005 -0.241) 12.008======================= Grid point 196 (75/90) =======================q-point: (-0.57 -0.23 0.34)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.332 ( -1.011 -6.355 -9.619) 11.573 1.489 ( 4.855 -7.335 -12.852) 15.574 1.840 ( -0.474 4.193 -0.555) 4.256 1.946 ( 2.215 0.852 -0.821) 2.511 2.254 ( -2.239 8.934 1.195) 9.287 2.343 ( -1.912 -7.959 9.046) 12.199 2.417 ( -2.594 -0.228 2.723) 3.768 2.703 ( 11.352 -12.801 6.855) 18.431 3.390 ( 2.043 -9.062 0.202) 9.292 3.663 ( 0.318 0.075 1.325) 1.365 3.743 ( 0.665 -2.691 0.932) 2.924 4.158 ( 1.130 -3.254 -0.071) 3.445 4.540 ( -9.842 9.170 1.372) 13.521 4.952 ( 2.946 5.537 -4.306) 7.607 5.021 ( 1.735 1.039 -1.754) 2.677 5.093 ( -4.312 4.288 -4.966) 7.851 5.352 ( 4.359 4.293 3.872) 7.240 5.591 ( -3.605 5.401 -3.041) 7.170 6.364 ( -6.923 11.963 -1.649) 13.920 6.582 ( 3.290 -10.293 -1.802) 10.956 6.795 ( 3.311 2.051 -9.557) 10.320 7.319 ( -2.650 5.552 2.334) 6.580 7.376 ( -0.079 0.858 6.863) 6.917 7.471 ( -1.500 -2.974 -1.094) 3.506 7.476 ( 1.105 -2.664 -2.391) 3.747 7.593 ( -0.773 1.173 2.816) 3.147 7.690 ( 0.699 -3.031 2.419) 3.940 7.746 ( 2.499 -5.034 0.907) 5.693 15.943 ( -0.874 -0.922 2.334) 2.657 16.048 ( 2.743 -2.776 2.816) 4.812 16.707 ( -0.763 0.897 0.928) 1.499 16.937 ( 0.444 0.051 1.087) 1.176 17.418 ( -0.722 0.957 -2.759) 3.008 17.767 ( -0.105 0.849 -3.728) 3.824 17.818 ( 0.121 -2.772 -3.815) 4.717 18.427 ( -5.154 10.385 -1.542) 11.696======================= Grid point 204 (76/90) =======================q-point: (-0.36 -0.24 0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.983 ( -0.000 -4.646 -14.996) 15.700 1.009 ( -0.000 -7.104 -13.949) 15.654 1.724 ( -0.000 -2.712 -18.923) 19.117 1.852 ( -0.000 1.345 -4.493) 4.690 2.433 ( 0.000 3.018 3.003) 4.257 2.441 ( 0.000 -0.149 4.897) 4.899 2.581 ( 0.000 -3.636 14.944) 15.380 2.601 ( 0.000 -2.933 13.128) 13.452 3.207 ( 0.000 -7.594 2.759) 8.079 3.689 ( 0.000 0.497 1.713) 1.783 3.724 ( 0.000 -2.792 2.748) 3.917 4.109 ( 0.000 -1.548 1.242) 1.985 4.851 ( 0.000 4.452 1.146) 4.597 4.885 ( 0.000 1.854 0.638) 1.961 5.001 ( -0.000 5.976 -10.753) 12.302 5.052 ( -0.000 2.688 -11.549) 11.858 5.491 ( 0.000 0.769 10.093) 10.123 5.620 ( -0.000 2.794 -6.421) 7.003 6.318 ( -0.000 -6.998 -1.998) 7.278 6.588 ( -0.000 1.926 -10.242) 10.422 6.719 ( -0.000 17.196 -4.984) 17.904 7.342 ( -0.000 -1.555 -4.853) 5.096 7.364 ( -0.000 -1.682 -2.566) 3.068 7.521 ( 0.000 2.997 4.435) 5.353 7.548 ( 0.000 -0.014 6.979) 6.979 7.548 ( -0.000 -9.865 -0.191) 9.866 7.691 ( 0.000 -1.493 5.635) 5.830 7.700 ( 0.000 -1.625 3.895) 4.220 16.001 ( 0.000 -0.113 4.119) 4.120 16.037 ( 0.000 -3.357 5.304) 6.277 16.778 ( 0.000 1.881 1.757) 2.573 16.954 ( 0.000 -0.426 1.563) 1.620 17.379 ( -0.000 1.598 -4.175) 4.470 17.630 ( -0.000 -0.549 -8.412) 8.430 17.659 ( -0.000 -3.367 -7.099) 7.857 18.623 ( -0.000 7.729 -2.854) 8.239======================= Grid point 231 (77/90) =======================q-point: ( 0.28 -0.28 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.538 ( 0.000 11.085 0.000) 11.085 1.693 ( 0.000 7.241 0.000) 7.241 1.789 ( 0.000 2.217 0.000) 2.217 1.898 ( -0.000 -9.237 -0.000) 9.237 1.975 ( -0.000 -2.968 -0.000) 2.968 2.206 ( 0.000 8.846 0.000) 8.846 2.875 ( -0.000 -14.801 -0.000) 14.801 2.984 ( -0.000 -10.244 -0.000) 10.244 3.653 ( -0.000 -0.925 -0.000) 0.925 3.854 ( -0.000 -10.209 -0.000) 10.209 3.860 ( -0.000 -4.799 -0.000) 4.799 4.163 ( 0.000 14.684 0.000) 14.684 4.364 ( -0.000 -6.553 -0.000) 6.553 4.813 ( 0.000 10.975 0.000) 10.975 4.848 ( 0.000 6.232 0.000) 6.232 4.864 ( -0.000 -1.812 -0.000) 1.812 5.032 ( 0.000 5.809 0.000) 5.809 5.311 ( 0.000 9.104 0.000) 9.104 6.048 ( 0.000 3.377 0.000) 3.377 6.809 ( 0.000 1.513 0.000) 1.513 6.985 ( 0.000 10.040 0.000) 10.040 7.069 ( -0.000 -12.069 -0.000) 12.069 7.240 ( 0.000 2.380 0.000) 2.380 7.504 ( 0.000 2.558 0.000) 2.558 7.591 ( -0.000 -1.110 -0.000) 1.110 7.621 ( -0.000 -3.252 -0.000) 3.252 7.865 ( -0.000 -1.640 -0.000) 1.640 7.890 ( -0.000 -7.260 -0.000) 7.260 16.029 ( -0.000 -2.796 -0.000) 2.796 16.052 ( -0.000 -1.180 -0.000) 1.180 16.720 ( -0.000 -1.979 -0.000) 1.979 16.905 ( 0.000 0.428 0.000) 0.428 17.421 ( 0.000 0.933 0.000) 0.933 17.745 ( 0.000 3.724 0.000) 3.724 17.968 ( -0.000 -3.468 -0.000) 3.468 17.992 ( 0.000 12.705 0.000) 12.705======================= Grid point 232 (78/90) =======================q-point: (-0.72 -0.28 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.572 ( -4.284 -7.797 0.000) 8.897 1.692 ( -2.845 7.796 0.000) 8.299 1.819 ( 6.838 -7.281 -0.000) 9.989 1.876 ( 2.646 3.012 -0.000) 4.009 2.041 ( -2.585 9.599 0.000) 9.941 2.357 ( 0.459 3.886 -0.000) 3.913 2.482 ( -4.771 -14.391 0.000) 15.161 2.895 ( 10.354 -12.223 -0.000) 16.019 3.582 ( -3.719 -8.863 0.000) 9.612 3.652 ( 0.116 -0.449 -0.000) 0.463 3.798 ( 2.103 -3.997 -0.000) 4.517 4.249 ( 0.691 -5.199 -0.000) 5.245 4.336 ( -7.465 9.132 0.000) 11.795 4.904 ( -5.818 7.399 0.000) 9.413 4.976 ( 1.268 5.041 -0.000) 5.198 5.007 ( 6.928 5.047 -0.000) 8.571 5.231 ( 5.572 5.403 -0.000) 7.761 5.475 ( -1.466 7.999 0.000) 8.133 6.167 ( -1.372 7.869 0.000) 7.988 6.823 ( 0.322 -11.676 -0.000) 11.680 6.880 ( 4.131 1.477 -0.000) 4.387 7.154 ( -1.367 7.733 0.000) 7.853 7.269 ( -0.927 1.476 0.000) 1.743 7.532 ( -1.383 2.016 0.000) 2.445 7.542 ( -1.476 -2.567 0.000) 2.961 7.560 ( 0.620 -3.135 -0.000) 3.196 7.751 ( -0.506 -5.214 0.000) 5.239 7.817 ( 0.379 -3.115 -0.000) 3.138 15.945 ( -1.870 -1.520 0.000) 2.410 16.073 ( 3.500 -2.431 -0.000) 4.262 16.696 ( -0.010 -0.731 -0.000) 0.731 16.920 ( 0.592 0.387 -0.000) 0.707 17.428 ( -1.091 1.100 0.000) 1.550 17.766 ( -3.178 2.567 0.000) 4.086 17.910 ( 0.650 -2.960 -0.000) 3.031 18.214 ( -3.320 12.110 0.000) 12.557======================= Grid point 234 (79/90) =======================q-point: ( 0.28 0.72 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.438 ( 2.187 -2.187 -0.000) 3.093 1.752 ( -5.653 5.653 0.000) 7.994 1.808 ( 8.200 -8.200 -0.000) 11.597 1.942 ( -0.014 0.014 0.000) 0.020 2.146 ( -7.910 7.910 0.000) 11.186 2.263 ( 6.136 -6.136 -0.000) 8.678 2.377 ( -0.390 0.390 0.000) 0.552 2.879 ( 11.871 -11.871 -0.000) 16.789 3.447 ( 2.836 -2.836 -0.000) 4.011 3.640 ( -0.360 0.360 0.000) 0.509 3.783 ( 3.634 -3.634 -0.000) 5.140 4.203 ( 2.905 -2.905 -0.000) 4.108 4.338 ( -8.266 8.266 0.000) 11.690 4.924 ( -6.285 6.285 0.000) 8.888 5.030 ( -4.277 4.277 0.000) 6.049 5.164 ( 4.255 -4.255 -0.000) 6.018 5.358 ( -0.178 0.178 0.000) 0.252 5.539 ( -5.114 5.114 0.000) 7.233 6.237 ( -6.340 6.340 0.000) 8.966 6.694 ( 6.393 -6.393 -0.000) 9.042 6.964 ( 1.751 -1.751 -0.000) 2.476 7.222 ( -4.784 4.784 0.000) 6.765 7.268 ( -1.004 1.004 0.000) 1.420 7.475 ( 0.684 -0.684 -0.000) 0.967 7.534 ( 1.975 -1.975 -0.000) 2.793 7.541 ( -1.722 1.722 0.000) 2.435 7.690 ( 1.857 -1.857 -0.000) 2.627 7.787 ( 2.167 -2.167 -0.000) 3.065 15.911 ( 0.031 -0.031 -0.000) 0.044 16.083 ( 3.222 -3.222 -0.000) 4.556 16.688 ( -0.058 0.058 0.000) 0.082 16.933 ( 0.200 -0.200 -0.000) 0.282 17.427 ( -1.271 1.271 0.000) 1.797 17.755 ( -2.958 2.958 0.000) 4.184 17.885 ( 1.666 -1.666 -0.000) 2.357 18.305 ( -8.448 8.448 0.000) 11.947======================= Grid point 243 (80/90) =======================q-point: (-0.51 -0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.371 ( -0.000 -7.288 -12.246) 14.251 1.410 ( -0.000 -9.417 -9.813) 13.601 1.847 ( 0.000 4.876 -1.306) 5.048 1.919 ( -0.000 2.482 -1.630) 2.970 2.271 ( 0.000 8.316 1.611) 8.471 2.392 ( 0.000 -5.328 4.608) 7.044 2.469 ( 0.000 -2.887 7.198) 7.756 2.540 ( 0.000 -13.037 6.772) 14.691 3.368 ( -0.000 -11.837 0.844) 11.867 3.660 ( 0.000 0.600 0.375) 0.708 3.739 ( 0.000 -2.911 1.526) 3.287 4.146 ( -0.000 -3.793 0.288) 3.804 4.689 ( 0.000 9.309 1.447) 9.420 4.844 ( -0.000 2.661 -1.819) 3.223 5.029 ( -0.000 6.297 -5.847) 8.592 5.162 ( -0.000 4.727 -7.625) 8.972 5.282 ( 0.000 4.361 7.750) 8.893 5.626 ( -0.000 6.172 -2.653) 6.718 6.450 ( 0.000 15.922 -1.760) 16.019 6.551 ( -0.000 -11.604 -1.887) 11.756 6.747 ( -0.000 1.978 -9.986) 10.180 7.345 ( 0.000 5.901 2.636) 6.463 7.377 ( 0.000 0.569 6.350) 6.375 7.463 ( -0.000 -2.954 -2.749) 4.035 7.494 ( -0.000 -3.160 -0.361) 3.180 7.600 ( 0.000 0.988 2.702) 2.877 7.684 ( 0.000 -3.408 2.442) 4.193 7.716 ( -0.000 -6.998 0.900) 7.056 15.959 ( 0.000 -1.351 1.778) 2.233 16.013 ( 0.000 -2.779 3.549) 4.507 16.717 ( 0.000 1.315 0.955) 1.625 16.931 ( 0.000 0.154 1.051) 1.062 17.425 ( -0.000 0.827 -2.774) 2.894 17.766 ( -0.000 0.235 -5.095) 5.101 17.819 ( -0.000 -3.059 -2.920) 4.229 18.480 ( 0.000 11.151 -1.472) 11.248======================= Grid point 244 (81/90) =======================q-point: (-0.51 -0.29 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.246 ( 2.109 -2.109 -10.890) 11.292 1.348 ( 6.412 -6.412 -12.379) 15.344 1.902 ( -1.885 1.885 -2.185) 3.447 1.967 ( -1.208 1.208 -4.470) 4.785 2.224 ( 2.532 -2.532 12.971) 13.457 2.389 ( -1.762 1.762 0.814) 2.622 2.433 ( -2.032 2.032 1.340) 3.171 2.474 ( 8.426 -8.426 7.883) 14.288 3.231 ( 6.469 -6.469 1.445) 9.262 3.667 ( -0.249 0.249 0.933) 0.997 3.705 ( 1.263 -1.263 0.611) 1.888 4.106 ( 1.844 -1.844 0.684) 2.697 4.711 ( -7.955 7.955 1.088) 11.302 4.948 ( 3.360 -3.360 0.082) 4.752 5.122 ( -5.679 5.679 -6.060) 10.061 5.158 ( -3.096 3.096 -4.506) 6.283 5.374 ( 1.846 -1.846 4.592) 5.282 5.685 ( -3.779 3.779 -4.138) 6.759 6.414 ( 6.233 -6.233 -1.452) 8.933 6.612 ( -11.920 11.920 -3.887) 17.299 6.826 ( -0.551 0.551 -8.223) 8.260 7.391 ( -1.565 1.306 -0.101) 2.041 7.391 ( -0.262 0.522 7.395) 7.418 7.433 ( 1.660 -1.660 -2.542) 3.460 7.436 ( -0.485 0.485 1.227) 1.406 7.602 ( 1.135 -1.135 3.784) 4.111 7.637 ( 4.681 -4.681 -0.404) 6.633 7.647 ( 1.387 -1.387 2.693) 3.331 15.933 ( 0.011 -0.011 2.414) 2.414 15.992 ( 2.623 -2.623 2.758) 4.623 16.733 ( -1.418 1.418 0.998) 2.240 16.935 ( 0.178 -0.178 0.817) 0.855 17.434 ( -0.620 0.620 -2.377) 2.534 17.771 ( 0.476 -0.476 -3.677) 3.738 17.776 ( 1.185 -1.185 -4.912) 5.190 18.598 ( -6.443 6.443 -1.597) 9.250======================= Grid point 252 (82/90) =======================q-point: (-0.30 -0.30 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.936 ( -0.000 0.000 -15.006) 15.006 0.936 ( -0.000 0.000 -15.006) 15.006 1.696 ( -0.000 0.000 -22.537) 22.537 1.864 ( -0.000 0.000 -5.156) 5.156 2.433 ( 0.000 -0.000 9.118) 9.118 2.433 ( 0.000 -0.000 9.118) 9.118 2.579 ( 0.000 -0.000 10.112) 10.112 2.579 ( 0.000 -0.000 10.112) 10.112 3.124 ( 0.000 -0.000 3.351) 3.351 3.695 ( 0.000 -0.000 1.716) 1.716 3.695 ( 0.000 -0.000 1.716) 1.716 4.094 ( 0.000 -0.000 1.529) 1.529 4.895 ( 0.000 -0.000 0.825) 0.825 4.895 ( 0.000 -0.000 0.825) 0.825 5.079 ( -0.000 0.000 -11.609) 11.609 5.079 ( -0.000 0.000 -11.609) 11.609 5.486 ( 0.000 -0.000 12.143) 12.143 5.648 ( -0.000 0.000 -6.622) 6.622 6.247 ( -0.000 0.000 -1.548) 1.548 6.609 ( -0.000 0.000 -10.012) 10.012 6.957 ( -0.000 0.000 -4.030) 4.030 7.345 ( -0.000 0.000 -2.702) 2.702 7.345 ( -0.000 0.000 -2.702) 2.702 7.364 ( -0.000 0.000 -2.730) 2.730 7.547 ( 0.000 -0.000 7.243) 7.243 7.553 ( 0.000 -0.000 4.486) 4.486 7.682 ( 0.000 -0.000 3.973) 3.973 7.682 ( 0.000 -0.000 3.973) 3.973 16.000 ( 0.000 -0.000 4.520) 4.520 16.000 ( 0.000 -0.000 4.520) 4.520 16.799 ( 0.000 -0.000 1.946) 1.946 16.949 ( 0.000 -0.000 1.290) 1.290 17.399 ( -0.000 0.000 -3.271) 3.271 17.622 ( -0.000 0.000 -8.450) 8.450 17.622 ( -0.000 0.000 -8.450) 8.450 18.705 ( -0.000 0.000 -1.919) 1.919======================= Grid point 279 (83/90) =======================q-point: (-0.67 -0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.664 ( -0.000 -7.034 -0.000) 7.034 1.702 ( -0.000 -10.011 -0.000) 10.011 1.727 ( 0.000 8.115 0.000) 8.115 1.841 ( 0.000 3.027 0.000) 3.027 2.067 ( 0.000 9.287 0.000) 9.287 2.352 ( 0.000 5.685 0.000) 5.685 2.574 ( -0.000 -15.150 -0.000) 15.150 2.746 ( -0.000 -13.399 -0.000) 13.399 3.617 ( -0.000 -13.160 -0.000) 13.160 3.649 ( 0.000 0.240 0.000) 0.240 3.782 ( -0.000 -3.262 -0.000) 3.262 4.242 ( -0.000 -5.744 -0.000) 5.744 4.443 ( 0.000 13.388 0.000) 13.388 4.851 ( 0.000 0.124 0.000) 0.124 4.990 ( 0.000 7.861 0.000) 7.861 5.016 ( 0.000 8.907 0.000) 8.907 5.145 ( 0.000 5.443 0.000) 5.443 5.489 ( 0.000 8.809 0.000) 8.809 6.186 ( 0.000 10.900 0.000) 10.900 6.821 ( -0.000 -12.988 -0.000) 12.988 6.836 ( 0.000 1.319 0.000) 1.319 7.167 ( 0.000 8.256 0.000) 8.256 7.279 ( 0.000 1.698 0.000) 1.698 7.546 ( 0.000 1.685 0.000) 1.685 7.554 ( -0.000 -3.461 -0.000) 3.461 7.559 ( -0.000 -2.185 -0.000) 2.185 7.757 ( -0.000 -6.075 -0.000) 6.075 7.812 ( -0.000 -3.797 -0.000) 3.797 15.979 ( -0.000 -2.237 -0.000) 2.237 16.022 ( -0.000 -1.879 -0.000) 1.879 16.697 ( -0.000 -0.311 -0.000) 0.311 16.914 ( 0.000 0.416 0.000) 0.416 17.438 ( 0.000 0.784 0.000) 0.784 17.799 ( 0.000 1.785 0.000) 1.785 17.902 ( -0.000 -3.130 -0.000) 3.130 18.248 ( 0.000 13.094 0.000) 13.094======================= Grid point 281 (84/90) =======================q-point: (-0.67 -0.33 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 246Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.437 ( -2.090 -5.473 0.000) 5.859 1.649 ( 7.701 -8.880 -0.000) 11.754 1.832 ( -2.423 6.446 0.000) 6.886 1.927 ( 1.333 2.130 -0.000) 2.513 2.228 ( -2.663 -10.894 0.000) 11.214 2.241 ( -1.864 9.591 0.000) 9.770 2.405 ( -2.312 1.239 0.000) 2.623 2.640 ( 11.723 -13.126 -0.000) 17.599 3.387 ( 2.642 -9.988 -0.000) 10.332 3.651 ( -0.536 0.274 0.000) 0.602 3.737 ( 1.248 -2.386 -0.000) 2.693 4.158 ( 1.542 -3.888 -0.000) 4.182 4.525 ( -10.165 9.571 0.000) 13.962 4.991 ( 7.908 -0.905 -0.000) 7.960 5.049 ( -6.386 7.163 0.000) 9.596 5.131 ( -1.319 4.613 0.000) 4.798 5.316 ( 4.098 3.007 -0.000) 5.083 5.621 ( -2.903 6.646 0.000) 7.252 6.382 ( -7.306 13.266 0.000) 15.145 6.599 ( 3.115 -10.526 -0.000) 10.977 6.910 ( 3.457 1.453 -0.000) 3.750 7.277 ( -0.773 2.982 0.000) 3.080 7.304 ( -2.419 3.639 0.000) 4.370 7.483 ( -1.240 -3.124 0.000) 3.361 7.502 ( 1.211 -2.677 -0.000) 2.938 7.563 ( -0.665 0.953 0.000) 1.162 7.666 ( 0.713 -3.350 -0.000) 3.425 7.740 ( 2.379 -4.740 -0.000) 5.303 15.920 ( -1.040 -0.964 0.000) 1.418 16.020 ( 3.074 -2.859 -0.000) 4.198 16.698 ( -0.745 0.910 0.000) 1.176 16.926 ( 0.403 0.181 -0.000) 0.442 17.446 ( -0.618 0.745 0.000) 0.968 17.799 ( -1.571 0.914 0.000) 1.817 17.859 ( 0.999 -2.223 -0.000) 2.437 18.442 ( -5.071 10.616 0.000) 11.765======================= Grid point 292 (85/90) =======================q-point: (-0.46 -0.34 0.34)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.249 ( -0.000 -4.662 -12.134) 12.998 1.258 ( -0.000 -5.634 -11.391) 12.709 1.918 ( -0.000 2.481 -2.212) 3.324 1.979 ( -0.000 3.718 -5.709) 6.813 2.240 ( 0.000 -6.326 12.399) 13.919 2.301 ( 0.000 -9.805 7.419) 12.295 2.427 ( 0.000 5.933 1.964) 6.249 2.484 ( 0.000 1.097 1.661) 1.990 3.162 ( -0.000 -8.428 1.789) 8.616 3.670 ( 0.000 0.435 0.516) 0.675 3.693 ( 0.000 -1.751 0.822) 1.934 4.088 ( 0.000 -2.050 0.902) 2.240 4.830 ( 0.000 4.900 0.843) 4.972 4.873 ( 0.000 0.667 0.483) 0.824 5.162 ( -0.000 6.643 -5.561) 8.664 5.234 ( -0.000 2.519 -7.019) 7.457 5.323 ( 0.000 -0.133 6.387) 6.388 5.724 ( -0.000 3.596 -4.088) 5.444 6.351 ( -0.000 -7.706 -1.326) 7.820 6.784 ( -0.000 1.559 -9.486) 9.613 6.791 ( 0.000 17.007 -2.489) 17.188 7.383 ( 0.000 0.148 4.095) 4.098 7.415 ( -0.000 -1.786 -2.762) 3.289 7.417 ( 0.000 -0.349 2.299) 2.325 7.454 ( 0.000 0.977 2.737) 2.906 7.543 ( -0.000 -9.898 0.948) 9.944 7.615 ( 0.000 0.324 2.024) 2.049 7.635 ( 0.000 -1.633 2.533) 3.014 15.940 ( 0.000 -0.636 2.189) 2.279 15.958 ( 0.000 -2.344 2.837) 3.680 16.750 ( 0.000 1.668 1.076) 1.985 16.933 ( 0.000 -0.001 0.673) 0.673 17.440 ( -0.000 0.655 -2.145) 2.243 17.759 ( -0.000 -0.635 -4.850) 4.891 17.770 ( -0.000 -1.804 -4.189) 4.561 18.664 ( 0.000 6.980 -1.425) 7.124======================= Grid point 328 (86/90) =======================q-point: (-0.61 -0.39 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.512 ( -0.000 -7.585 -0.000) 7.585 1.519 ( -0.000 -8.309 -0.000) 8.309 1.857 ( 0.000 5.128 0.000) 5.128 1.906 ( 0.000 3.532 0.000) 3.532 2.253 ( 0.000 9.059 0.000) 9.059 2.300 ( -0.000 -12.308 -0.000) 12.308 2.434 ( 0.000 2.844 0.000) 2.844 2.483 ( -0.000 -12.771 -0.000) 12.771 3.359 ( -0.000 -12.552 -0.000) 12.552 3.656 ( 0.000 0.483 0.000) 0.483 3.726 ( -0.000 -2.456 -0.000) 2.456 4.143 ( -0.000 -4.237 -0.000) 4.237 4.675 ( 0.000 9.825 0.000) 9.825 4.859 ( 0.000 0.519 0.000) 0.519 5.144 ( 0.000 7.517 0.000) 7.517 5.147 ( 0.000 4.426 0.000) 4.426 5.240 ( 0.000 4.153 0.000) 4.153 5.649 ( 0.000 7.274 0.000) 7.274 6.468 ( 0.000 17.071 0.000) 17.071 6.570 ( -0.000 -12.137 -0.000) 12.137 6.864 ( 0.000 1.535 0.000) 1.535 7.284 ( 0.000 2.259 0.000) 2.259 7.329 ( 0.000 4.611 0.000) 4.611 7.490 ( -0.000 -2.950 -0.000) 2.950 7.502 ( -0.000 -3.572 -0.000) 3.572 7.569 ( 0.000 0.643 0.000) 0.643 7.659 ( -0.000 -3.662 -0.000) 3.662 7.711 ( -0.000 -6.512 -0.000) 6.512 15.942 ( -0.000 -1.550 -0.000) 1.550 15.978 ( -0.000 -2.538 -0.000) 2.538 16.707 ( 0.000 1.295 0.000) 1.295 16.921 ( 0.000 0.331 0.000) 0.331 17.452 ( 0.000 0.577 0.000) 0.577 17.816 ( 0.000 0.015 0.000) 0.015 17.847 ( -0.000 -2.375 -0.000) 2.375 18.493 ( 0.000 11.414 0.000) 11.414======================= Grid point 330 (87/90) =======================q-point: ( 0.39 0.61 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.368 ( 1.382 -1.382 -0.000) 1.954 1.490 ( 6.973 -6.973 -0.000) 9.862 1.922 ( -1.780 1.780 0.000) 2.517 1.974 ( -2.501 2.501 0.000) 3.537 2.078 ( 3.105 -3.105 -0.000) 4.391 2.394 ( -4.388 4.388 0.000) 6.206 2.400 ( 10.655 -10.655 -0.000) 15.069 2.422 ( -1.898 1.898 0.000) 2.685 3.216 ( 6.805 -6.805 -0.000) 9.624 3.659 ( -0.482 0.482 0.000) 0.681 3.701 ( 1.351 -1.351 -0.000) 1.911 4.099 ( 2.073 -2.073 -0.000) 2.932 4.700 ( -8.080 8.080 0.000) 11.427 4.946 ( 3.620 -3.620 -0.000) 5.119 5.181 ( -6.168 6.168 0.000) 8.723 5.188 ( -1.541 1.541 0.000) 2.179 5.340 ( 0.643 -0.643 -0.000) 0.909 5.726 ( -3.843 3.843 0.000) 5.435 6.429 ( 6.343 -6.343 -0.000) 8.970 6.648 ( -12.639 12.639 0.000) 17.875 6.927 ( 0.235 -0.235 -0.000) 0.333 7.298 ( -0.455 0.455 0.000) 0.643 7.382 ( -3.007 3.007 0.000) 4.253 7.434 ( 1.416 -1.416 -0.000) 2.002 7.459 ( 1.596 -1.596 -0.000) 2.258 7.565 ( 1.185 -1.185 -0.000) 1.676 7.620 ( 1.306 -1.306 -0.000) 1.846 7.641 ( 4.419 -4.419 -0.000) 6.249 15.910 ( -0.013 0.013 0.000) 0.018 15.965 ( 2.523 -2.523 -0.000) 3.568 16.723 ( -1.352 1.352 0.000) 1.912 16.927 ( 0.042 -0.042 -0.000) 0.060 17.457 ( -0.381 0.381 0.000) 0.539 17.807 ( -0.020 0.020 0.000) 0.028 17.824 ( 1.244 -1.244 -0.000) 1.759 18.613 ( -6.337 6.337 0.000) 8.963======================= Grid point 342 (88/90) =======================q-point: (-0.40 -0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.201 ( -0.000 0.000 -12.080) 12.080 1.201 ( -0.000 0.000 -12.080) 12.080 1.944 ( -0.000 0.000 -2.955) 2.955 2.041 ( -0.000 0.000 -12.908) 12.908 2.175 ( 0.000 -0.000 13.781) 13.781 2.175 ( 0.000 -0.000 13.781) 13.781 2.495 ( 0.000 -0.000 1.599) 1.599 2.495 ( 0.000 -0.000 1.599) 1.599 3.071 ( 0.000 -0.000 2.064) 2.064 3.675 ( 0.000 -0.000 0.551) 0.551 3.675 ( 0.000 -0.000 0.551) 0.551 4.067 ( 0.000 -0.000 1.108) 1.108 4.879 ( 0.000 -0.000 0.697) 0.697 4.879 ( 0.000 -0.000 0.697) 0.697 5.259 ( -0.000 0.000 -6.809) 6.809 5.259 ( -0.000 0.000 -6.809) 6.809 5.292 ( 0.000 -0.000 7.626) 7.626 5.761 ( -0.000 0.000 -4.616) 4.616 6.271 ( -0.000 0.000 -0.932) 0.932 6.801 ( -0.000 0.000 -9.393) 9.393 7.013 ( -0.000 0.000 -1.880) 1.880 7.384 ( -0.000 0.000 -1.290) 1.290 7.384 ( -0.000 0.000 -1.290) 1.290 7.399 ( 0.000 -0.000 7.690) 7.690 7.408 ( -0.000 0.000 -1.759) 1.759 7.476 ( 0.000 -0.000 3.190) 3.190 7.619 ( 0.000 -0.000 2.387) 2.387 7.619 ( 0.000 -0.000 2.387) 2.387 15.933 ( 0.000 -0.000 2.365) 2.365 15.933 ( 0.000 -0.000 2.365) 2.365 16.768 ( 0.000 -0.000 1.167) 1.167 16.932 ( 0.000 -0.000 0.472) 0.472 17.447 ( -0.000 0.000 -1.722) 1.722 17.751 ( -0.000 0.000 -4.789) 4.789 17.751 ( -0.000 0.000 -4.789) 4.789 18.735 ( -0.000 0.000 -1.150) 1.150======================= Grid point 380 (89/90) =======================q-point: (-0.56 -0.44 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.387 ( -0.000 -4.743 -0.000) 4.743 1.387 ( -0.000 -4.820 -0.000) 4.820 1.934 ( 0.000 2.871 0.000) 2.871 1.975 ( 0.000 3.285 0.000) 3.285 2.103 ( -0.000 -7.444 -0.000) 7.444 2.266 ( -0.000 -8.736 -0.000) 8.736 2.410 ( 0.000 6.474 0.000) 6.474 2.471 ( 0.000 1.086 0.000) 1.086 3.144 ( -0.000 -8.691 -0.000) 8.691 3.666 ( 0.000 0.393 0.000) 0.393 3.686 ( -0.000 -1.557 -0.000) 1.557 4.079 ( -0.000 -2.260 -0.000) 2.260 4.822 ( 0.000 5.058 0.000) 5.058 4.868 ( 0.000 0.353 0.000) 0.353 5.202 ( 0.000 1.502 0.000) 1.502 5.273 ( 0.000 5.086 0.000) 5.086 5.304 ( 0.000 2.238 0.000) 2.238 5.765 ( 0.000 4.215 0.000) 4.215 6.364 ( -0.000 -8.047 -0.000) 8.047 6.815 ( 0.000 16.824 0.000) 16.824 6.895 ( 0.000 1.464 0.000) 1.464 7.302 ( 0.000 0.383 0.000) 0.383 7.412 ( 0.000 3.103 0.000) 3.103 7.430 ( -0.000 -3.187 -0.000) 3.187 7.443 ( -0.000 -1.708 -0.000) 1.708 7.527 ( -0.000 -7.798 -0.000) 7.798 7.602 ( -0.000 -1.374 -0.000) 1.374 7.610 ( -0.000 -1.486 -0.000) 1.486 15.919 ( -0.000 -0.791 -0.000) 0.791 15.931 ( -0.000 -1.938 -0.000) 1.938 16.739 ( 0.000 1.591 0.000) 1.591 16.926 ( 0.000 0.184 0.000) 0.184 17.461 ( 0.000 0.309 0.000) 0.309 17.807 ( -0.000 -0.712 -0.000) 0.712 17.811 ( -0.000 -1.283 -0.000) 1.283 18.677 ( 0.000 6.813 0.000) 6.813======================= Grid point 431 (90/90) =======================q-point: ( 0.50 0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.338 ( -0.000 0.000 -0.000) 0.000 1.338 ( -0.000 0.000 -0.000) 0.000 1.972 ( -0.000 0.000 -0.000) 0.000 2.018 ( -0.000 0.000 -0.000) 0.000 2.018 ( -0.000 0.000 -0.000) 0.000 2.168 ( -0.000 0.000 -0.000) 0.000 2.481 ( -0.000 0.000 -0.000) 0.000 2.481 ( -0.000 0.000 -0.000) 0.000 3.050 ( -0.000 0.000 -0.000) 0.000 3.670 ( -0.000 0.000 -0.000) 0.000 3.670 ( -0.000 0.000 -0.000) 0.000 4.056 ( -0.000 0.000 -0.000) 0.000 4.872 ( -0.000 0.000 -0.000) 0.000 4.872 ( -0.000 0.000 -0.000) 0.000 5.215 ( -0.000 0.000 -0.000) 0.000 5.326 ( -0.000 0.000 -0.000) 0.000 5.326 ( -0.000 0.000 -0.000) 0.000 5.807 ( -0.000 0.000 -0.000) 0.000 6.280 ( -0.000 0.000 -0.000) 0.000 6.911 ( -0.000 0.000 -0.000) 0.000 7.031 ( -0.000 0.000 -0.000) 0.000 7.305 ( -0.000 0.000 -0.000) 0.000 7.396 ( -0.000 0.000 -0.000) 0.000 7.396 ( -0.000 0.000 -0.000) 0.000 7.426 ( -0.000 0.000 -0.000) 0.000 7.443 ( -0.000 0.000 -0.000) 0.000 7.596 ( -0.000 0.000 -0.000) 0.000 7.596 ( -0.000 0.000 -0.000) 0.000 15.911 ( -0.000 0.000 -0.000) 0.000 15.911 ( -0.000 0.000 -0.000) 0.000 16.757 ( -0.000 0.000 -0.000) 0.000 16.928 ( -0.000 0.000 -0.000) 0.000 17.464 ( -0.000 0.000 -0.000) 0.000 17.798 ( -0.000 0.000 -0.000) 0.000 17.798 ( -0.000 0.000 -0.000) 0.000 18.747 ( -0.000 0.000 -0.000) 0.000=================== End of collection of collisions ===================----------- Thermal conductivity (W/m-k) with tetrahedron method -----------# T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/29160 10.0 427.217 427.217 370.200 0.000 0.000 0.000 3/29160 20.0 91.016 91.016 87.912 0.000 0.000 0.000 3/29160 30.0 37.207 37.207 36.536 0.000 0.000 0.000 3/29160 40.0 19.465 19.465 19.110 0.000 0.000 0.000 3/29160 50.0 12.176 12.176 11.941 0.000 0.000 0.000 3/29160 60.0 8.602 8.602 8.461 0.000 0.000 0.000 3/29160 70.0 6.590 6.590 6.530 0.000 0.000 0.000 3/29160 80.0 5.334 5.334 5.342 0.000 0.000 0.000 3/29160 90.0 4.488 4.488 4.551 0.000 0.000 0.000 3/29160 100.0 3.884 3.884 3.992 0.000 0.000 0.000 3/29160 110.0 3.434 3.434 3.577 0.000 0.000 0.000 3/29160 120.0 3.086 3.086 3.257 0.000 0.000 0.000 3/29160 130.0 2.809 2.809 3.004 0.000 0.000 0.000 3/29160 140.0 2.585 2.585 2.798 0.000 0.000 0.000 3/29160 150.0 2.398 2.398 2.627 0.000 0.000 0.000 3/29160 160.0 2.241 2.241 2.482 0.000 0.000 0.000 3/29160 170.0 2.107 2.107 2.358 0.000 0.000 0.000 3/29160 180.0 1.990 1.990 2.249 0.000 0.000 0.000 3/29160 190.0 1.888 1.888 2.152 0.000 0.000 0.000 3/29160 200.0 1.797 1.797 2.066 0.000 0.000 0.000 3/29160 210.0 1.716 1.716 1.988 0.000 0.000 0.000 3/29160 220.0 1.643 1.643 1.917 0.000 0.000 0.000 3/29160 230.0 1.577 1.577 1.852 0.000 0.000 0.000 3/29160 240.0 1.517 1.517 1.792 0.000 0.000 0.000 3/29160 250.0 1.461 1.461 1.736 0.000 0.000 0.000 3/29160 260.0 1.410 1.410 1.684 0.000 0.000 0.000 3/29160 270.0 1.362 1.362 1.635 0.000 0.000 0.000 3/29160 280.0 1.318 1.318 1.589 0.000 0.000 0.000 3/29160 290.0 1.277 1.277 1.545 0.000 0.000 0.000 3/29160 300.0 1.238 1.238 1.504 0.000 0.000 0.000 3/29160 310.0 1.202 1.202 1.465 0.000 0.000 0.000 3/29160 320.0 1.168 1.168 1.428 0.000 0.000 0.000 3/29160 330.0 1.136 1.136 1.393 0.000 0.000 0.000 3/29160 340.0 1.105 1.105 1.359 0.000 0.000 0.000 3/29160 350.0 1.076 1.076 1.327 0.000 0.000 0.000 3/29160 360.0 1.049 1.049 1.297 0.000 0.000 0.000 3/29160 370.0 1.023 1.023 1.267 0.000 0.000 0.000 3/29160 380.0 0.998 0.998 1.239 0.000 0.000 0.000 3/29160 390.0 0.975 0.975 1.212 0.000 0.000 0.000 3/29160 400.0 0.952 0.952 1.187 0.000 0.000 0.000 3/29160 410.0 0.931 0.931 1.162 0.000 0.000 0.000 3/29160 420.0 0.910 0.910 1.138 0.000 0.000 0.000 3/29160 430.0 0.891 0.891 1.115 0.000 0.000 0.000 3/29160 440.0 0.872 0.872 1.093 0.000 0.000 0.000 3/29160 450.0 0.854 0.854 1.072 0.000 0.000 0.000 3/29160 460.0 0.836 0.836 1.051 0.000 0.000 0.000 3/29160 470.0 0.820 0.820 1.032 0.000 0.000 0.000 3/29160 480.0 0.804 0.804 1.013 0.000 0.000 0.000 3/29160 490.0 0.788 0.788 0.994 0.000 0.000 0.000 3/29160 500.0 0.774 0.774 0.977 0.000 0.000 0.000 3/29160 510.0 0.759 0.759 0.960 0.000 0.000 0.000 3/29160 520.0 0.746 0.746 0.943 0.000 0.000 0.000 3/29160 530.0 0.732 0.732 0.927 0.000 0.000 0.000 3/29160 540.0 0.719 0.719 0.911 0.000 0.000 0.000 3/29160 550.0 0.707 0.707 0.896 0.000 0.000 0.000 3/29160 560.0 0.695 0.695 0.882 0.000 0.000 0.000 3/29160 570.0 0.683 0.683 0.868 0.000 0.000 0.000 3/29160 580.0 0.672 0.672 0.854 0.000 0.000 0.000 3/29160 590.0 0.661 0.661 0.841 0.000 0.000 0.000 3/29160 600.0 0.651 0.651 0.828 0.000 0.000 0.000 3/29160 610.0 0.641 0.641 0.815 0.000 0.000 0.000 3/29160 620.0 0.631 0.631 0.803 0.000 0.000 0.000 3/29160 630.0 0.621 0.621 0.791 0.000 0.000 0.000 3/29160 640.0 0.612 0.612 0.780 0.000 0.000 0.000 3/29160 650.0 0.603 0.603 0.769 0.000 0.000 0.000 3/29160 660.0 0.594 0.594 0.758 0.000 0.000 0.000 3/29160 670.0 0.586 0.586 0.747 0.000 0.000 0.000 3/29160 680.0 0.577 0.577 0.737 0.000 0.000 0.000 3/29160 690.0 0.569 0.569 0.727 0.000 0.000 0.000 3/29160 700.0 0.561 0.561 0.717 0.000 0.000 0.000 3/29160 710.0 0.554 0.554 0.708 0.000 0.000 0.000 3/29160 720.0 0.546 0.546 0.699 0.000 0.000 0.000 3/29160 730.0 0.539 0.539 0.690 0.000 0.000 0.000 3/29160 740.0 0.532 0.532 0.681 0.000 0.000 0.000 3/29160 750.0 0.525 0.525 0.672 0.000 0.000 0.000 3/29160 760.0 0.518 0.518 0.664 0.000 0.000 0.000 3/29160 770.0 0.512 0.512 0.656 0.000 0.000 0.000 3/29160 780.0 0.506 0.506 0.648 0.000 0.000 0.000 3/29160 790.0 0.499 0.499 0.640 0.000 0.000 0.000 3/29160 800.0 0.493 0.493 0.632 0.000 0.000 0.000 3/29160 810.0 0.487 0.487 0.625 0.000 0.000 0.000 3/29160 820.0 0.482 0.482 0.618 0.000 0.000 0.000 3/29160 830.0 0.476 0.476 0.610 0.000 0.000 0.000 3/29160 840.0 0.470 0.470 0.603 0.000 0.000 0.000 3/29160 850.0 0.465 0.465 0.597 0.000 0.000 0.000 3/29160 860.0 0.460 0.460 0.590 0.000 0.000 0.000 3/29160 870.0 0.455 0.455 0.584 0.000 0.000 0.000 3/29160 880.0 0.449 0.449 0.577 0.000 0.000 0.000 3/29160 890.0 0.445 0.445 0.571 0.000 0.000 0.000 3/29160 900.0 0.440 0.440 0.565 0.000 0.000 0.000 3/29160 910.0 0.435 0.435 0.559 0.000 0.000 0.000 3/29160 920.0 0.430 0.430 0.553 0.000 0.000 0.000 3/29160 930.0 0.426 0.426 0.547 0.000 0.000 0.000 3/29160 940.0 0.421 0.421 0.542 0.000 0.000 0.000 3/29160 950.0 0.417 0.417 0.536 0.000 0.000 0.000 3/29160 960.0 0.413 0.413 0.531 0.000 0.000 0.000 3/29160 970.0 0.409 0.409 0.525 0.000 0.000 0.000 3/29160 980.0 0.405 0.405 0.520 0.000 0.000 0.000 3/29160 990.0 0.401 0.401 0.515 0.000 0.000 0.000 3/29160 1000.0 0.397 0.397 0.510 0.000 0.000 0.000 3/29160Thermal conductivity related properties were written into "kappa-m1990.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 22:21:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|