# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/9f873647-062c-4dd6-9c5c-2b8e999c60b7/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 AgAuF4 / I4/mcm (140) / materials id 16060](https://mdr.nims.go.jp/datasets/a489b842-2d46-4381-97c0-cadd4d839154) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 01:47:18]-------------------------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 -2.844556845000001 2.844556845000001 5.353183355000000 b 2.844556845000001 -2.844556845000001 5.353183355000000 c 2.844556845000001 2.844556845000001 -5.353183355000000Atomic positions (fractional): *1 F 0.69835673772652 0.54373033542286 0.50000000000000 18.998 2 F 0.95626966457714 0.80164326227348 0.50000000000000 18.998 3 F 0.30164326227348 0.45626966457714 0.50000000000000 18.998 4 F 0.45626966457714 0.95626966457714 0.15462640230366 18.998 5 F 0.04373033542286 0.19835673772652 0.50000000000000 18.998 6 F 0.19835673772652 0.69835673772652 0.15462640230366 18.998 7 F 0.54373033542286 0.04373033542286 0.84537359769634 18.998 8 F 0.80164326227348 0.30164326227348 0.84537359769634 18.998 *9 Ag 0.25000000000000 0.25000000000000 0.00000000000000 107.868 10 Ag 0.75000000000000 0.75000000000000 0.00000000000000 107.868 *11 Au 0.00000000000000 0.50000000000000 0.50000000000000 196.967 12 Au 0.50000000000000 0.00000000000000 0.50000000000000 196.967-------------------------------- unit cell ---------------------------------Lattice vectors: a 5.689113690000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.689113690000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.706366709999999Atomic positions (fractional): *1 F 0.17268679884817 0.32731320115183 0.37104353657469 18.998 > 1 2 F 0.67268679884817 0.82731320115183 0.12895646342531 18.998 > 2 3 F 0.32731320115183 0.17268679884817 0.12895646342531 18.998 > 3 4 F 0.82731320115183 0.32731320115183 0.12895646342531 18.998 > 4 5 F 0.82731320115183 0.67268679884817 0.37104353657469 18.998 > 5 6 F 0.32731320115183 0.82731320115183 0.37104353657469 18.998 > 6 7 F 0.67268679884817 0.17268679884817 0.37104353657469 18.998 > 7 8 F 0.17268679884817 0.67268679884817 0.12895646342531 18.998 > 8 9 F 0.67268679884817 0.82731320115183 0.87104353657469 18.998 > 1 10 F 0.17268679884817 0.32731320115183 0.62895646342531 18.998 > 2 11 F 0.82731320115183 0.67268679884817 0.62895646342531 18.998 > 3 12 F 0.32731320115183 0.82731320115183 0.62895646342531 18.998 > 4 13 F 0.32731320115183 0.17268679884817 0.87104353657469 18.998 > 5 14 F 0.82731320115183 0.32731320115183 0.87104353657469 18.998 > 6 15 F 0.17268679884817 0.67268679884817 0.87104353657469 18.998 > 7 16 F 0.67268679884817 0.17268679884817 0.62895646342531 18.998 > 8 *17 Ag 0.00000000000000 0.00000000000000 0.25000000000000 107.868 > 9 18 Ag 0.50000000000000 0.50000000000000 0.25000000000000 107.868 > 10 19 Ag 0.50000000000000 0.50000000000000 0.75000000000000 107.868 > 9 20 Ag 0.00000000000000 0.00000000000000 0.75000000000000 107.868 > 10 *21 Au 0.50000000000000 0.00000000000000 0.00000000000000 196.967 > 11 22 Au 0.00000000000000 0.50000000000000 0.00000000000000 196.967 > 12 23 Au 0.00000000000000 0.50000000000000 0.50000000000000 196.967 > 11 24 Au 0.50000000000000 0.00000000000000 0.50000000000000 196.967 > 12-------------------------------- super cell --------------------------------Lattice vectors: a 11.378227380000002 0.000000000000000 0.000000000000000 b 0.000000000000000 11.378227380000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.706366709999999Atomic positions (fractional): *1 F 0.08634339942409 0.16365660057591 0.37104353657469 18.998 > 1 2 F 0.58634339942409 0.16365660057591 0.37104353657469 18.998 > 1 3 F 0.08634339942409 0.66365660057591 0.37104353657469 18.998 > 1 4 F 0.58634339942409 0.66365660057591 0.37104353657469 18.998 > 1 5 F 0.33634339942409 0.41365660057591 0.12895646342531 18.998 > 2 6 F 0.83634339942409 0.41365660057591 0.12895646342531 18.998 > 2 7 F 0.33634339942409 0.91365660057591 0.12895646342531 18.998 > 2 8 F 0.83634339942409 0.91365660057591 0.12895646342531 18.998 > 2 9 F 0.16365660057591 0.08634339942409 0.12895646342531 18.998 > 3 10 F 0.66365660057591 0.08634339942409 0.12895646342531 18.998 > 3 11 F 0.16365660057591 0.58634339942409 0.12895646342531 18.998 > 3 12 F 0.66365660057591 0.58634339942409 0.12895646342531 18.998 > 3 13 F 0.41365660057591 0.16365660057591 0.12895646342531 18.998 > 4 14 F 0.91365660057591 0.16365660057591 0.12895646342531 18.998 > 4 15 F 0.41365660057591 0.66365660057591 0.12895646342531 18.998 > 4 16 F 0.91365660057591 0.66365660057591 0.12895646342531 18.998 > 4 17 F 0.41365660057591 0.33634339942409 0.37104353657469 18.998 > 5 18 F 0.91365660057591 0.33634339942409 0.37104353657469 18.998 > 5 19 F 0.41365660057591 0.83634339942409 0.37104353657469 18.998 > 5 20 F 0.91365660057591 0.83634339942409 0.37104353657469 18.998 > 5 21 F 0.16365660057591 0.41365660057591 0.37104353657469 18.998 > 6 22 F 0.66365660057591 0.41365660057591 0.37104353657469 18.998 > 6 23 F 0.16365660057591 0.91365660057591 0.37104353657469 18.998 > 6 24 F 0.66365660057591 0.91365660057591 0.37104353657469 18.998 > 6 25 F 0.33634339942409 0.08634339942409 0.37104353657469 18.998 > 7 26 F 0.83634339942409 0.08634339942409 0.37104353657469 18.998 > 7 27 F 0.33634339942409 0.58634339942409 0.37104353657469 18.998 > 7 28 F 0.83634339942409 0.58634339942409 0.37104353657469 18.998 > 7 29 F 0.08634339942409 0.33634339942409 0.12895646342531 18.998 > 8 30 F 0.58634339942409 0.33634339942409 0.12895646342531 18.998 > 8 31 F 0.08634339942409 0.83634339942409 0.12895646342531 18.998 > 8 32 F 0.58634339942409 0.83634339942409 0.12895646342531 18.998 > 8 33 F 0.33634339942409 0.41365660057591 0.87104353657469 18.998 > 1 34 F 0.83634339942409 0.41365660057591 0.87104353657469 18.998 > 1 35 F 0.33634339942409 0.91365660057591 0.87104353657469 18.998 > 1 36 F 0.83634339942409 0.91365660057591 0.87104353657469 18.998 > 1 37 F 0.08634339942409 0.16365660057591 0.62895646342531 18.998 > 2 38 F 0.58634339942409 0.16365660057591 0.62895646342531 18.998 > 2 39 F 0.08634339942409 0.66365660057591 0.62895646342531 18.998 > 2 40 F 0.58634339942409 0.66365660057591 0.62895646342531 18.998 > 2 41 F 0.41365660057591 0.33634339942409 0.62895646342531 18.998 > 3 42 F 0.91365660057591 0.33634339942409 0.62895646342531 18.998 > 3 43 F 0.41365660057591 0.83634339942409 0.62895646342531 18.998 > 3 44 F 0.91365660057591 0.83634339942409 0.62895646342531 18.998 > 3 45 F 0.16365660057591 0.41365660057591 0.62895646342531 18.998 > 4 46 F 0.66365660057591 0.41365660057591 0.62895646342531 18.998 > 4 47 F 0.16365660057591 0.91365660057591 0.62895646342531 18.998 > 4 48 F 0.66365660057591 0.91365660057591 0.62895646342531 18.998 > 4 49 F 0.16365660057591 0.08634339942409 0.87104353657469 18.998 > 5 50 F 0.66365660057591 0.08634339942409 0.87104353657469 18.998 > 5 51 F 0.16365660057591 0.58634339942409 0.87104353657469 18.998 > 5 52 F 0.66365660057591 0.58634339942409 0.87104353657469 18.998 > 5 53 F 0.41365660057591 0.16365660057591 0.87104353657469 18.998 > 6 54 F 0.91365660057591 0.16365660057591 0.87104353657469 18.998 > 6 55 F 0.41365660057591 0.66365660057591 0.87104353657469 18.998 > 6 56 F 0.91365660057591 0.66365660057591 0.87104353657469 18.998 > 6 57 F 0.08634339942409 0.33634339942409 0.87104353657469 18.998 > 7 58 F 0.58634339942409 0.33634339942409 0.87104353657469 18.998 > 7 59 F 0.08634339942409 0.83634339942409 0.87104353657469 18.998 > 7 60 F 0.58634339942409 0.83634339942409 0.87104353657469 18.998 > 7 61 F 0.33634339942409 0.08634339942409 0.62895646342531 18.998 > 8 62 F 0.83634339942409 0.08634339942409 0.62895646342531 18.998 > 8 63 F 0.33634339942409 0.58634339942409 0.62895646342531 18.998 > 8 64 F 0.83634339942409 0.58634339942409 0.62895646342531 18.998 > 8 *65 Ag 0.00000000000000 0.00000000000000 0.25000000000000 107.868 > 9 66 Ag 0.50000000000000 0.00000000000000 0.25000000000000 107.868 > 9 67 Ag 0.00000000000000 0.50000000000000 0.25000000000000 107.868 > 9 68 Ag 0.50000000000000 0.50000000000000 0.25000000000000 107.868 > 9 69 Ag 0.25000000000000 0.25000000000000 0.25000000000000 107.868 > 10 70 Ag 0.75000000000000 0.25000000000000 0.25000000000000 107.868 > 10 71 Ag 0.25000000000000 0.75000000000000 0.25000000000000 107.868 > 10 72 Ag 0.75000000000000 0.75000000000000 0.25000000000000 107.868 > 10 73 Ag 0.25000000000000 0.25000000000000 0.75000000000000 107.868 > 9 74 Ag 0.75000000000000 0.25000000000000 0.75000000000000 107.868 > 9 75 Ag 0.25000000000000 0.75000000000000 0.75000000000000 107.868 > 9 76 Ag 0.75000000000000 0.75000000000000 0.75000000000000 107.868 > 9 77 Ag 0.00000000000000 0.00000000000000 0.75000000000000 107.868 > 10 78 Ag 0.50000000000000 0.00000000000000 0.75000000000000 107.868 > 10 79 Ag 0.00000000000000 0.50000000000000 0.75000000000000 107.868 > 10 80 Ag 0.50000000000000 0.50000000000000 0.75000000000000 107.868 > 10 *81 Au 0.25000000000000 0.00000000000000 0.00000000000000 196.967 > 11 82 Au 0.75000000000000 0.00000000000000 0.00000000000000 196.967 > 11 83 Au 0.25000000000000 0.50000000000000 0.00000000000000 196.967 > 11 84 Au 0.75000000000000 0.50000000000000 0.00000000000000 196.967 > 11 85 Au 0.00000000000000 0.25000000000000 0.00000000000000 196.967 > 12 86 Au 0.50000000000000 0.25000000000000 0.00000000000000 196.967 > 12 87 Au 0.00000000000000 0.75000000000000 0.00000000000000 196.967 > 12 88 Au 0.50000000000000 0.75000000000000 0.00000000000000 196.967 > 12 89 Au 0.00000000000000 0.25000000000000 0.50000000000000 196.967 > 11 90 Au 0.50000000000000 0.25000000000000 0.50000000000000 196.967 > 11 91 Au 0.00000000000000 0.75000000000000 0.50000000000000 196.967 > 11 92 Au 0.50000000000000 0.75000000000000 0.50000000000000 196.967 > 11 93 Au 0.25000000000000 0.00000000000000 0.50000000000000 196.967 > 12 94 Au 0.75000000000000 0.00000000000000 0.50000000000000 196.967 > 12 95 Au 0.25000000000000 0.50000000000000 0.50000000000000 196.967 > 12 96 Au 0.75000000000000 0.50000000000000 0.50000000000000 196.967 > 12----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.7053835 0.0000000 0.0000000 0.0000000 4.7053835 0.0000000 0.0000000 0.0000000 6.3179710-------------------------- Born effective charges -------------------------- 1 F -0.7276649 0.4378924 0.3918727 0.4378924 -0.7276649 -0.3918727 0.5181682 -0.5181682 -1.0154462 2 F -0.7276649 0.4378924 -0.3918727 0.4378924 -0.7276649 0.3918727 -0.5181682 0.5181682 -1.0154462 3 F -0.7276649 0.4378924 0.3918727 0.4378924 -0.7276649 -0.3918727 0.5181682 -0.5181682 -1.0154462 4 F -0.7276649 -0.4378924 0.3918727 -0.4378924 -0.7276649 0.3918727 0.5181682 0.5181682 -1.0154462 5 F -0.7276649 0.4378924 -0.3918727 0.4378924 -0.7276649 0.3918727 -0.5181682 0.5181682 -1.0154462 6 F -0.7276649 -0.4378924 -0.3918727 -0.4378924 -0.7276649 -0.3918727 -0.5181682 -0.5181682 -1.0154462 7 F -0.7276649 -0.4378924 0.3918727 -0.4378924 -0.7276649 0.3918727 0.5181682 0.5181682 -1.0154462 8 F -0.7276649 -0.4378924 -0.3918727 -0.4378924 -0.7276649 -0.3918727 -0.5181682 -0.5181682 -1.0154462 9 Ag 1.0701113 0.0000000 0.0000000 0.0000000 1.0701113 0.0000000 0.0000000 0.0000000 1.4605822 10 Ag 1.0701113 0.0000000 0.0000000 0.0000000 1.0701113 0.0000000 0.0000000 0.0000000 1.4605822 11 Au 1.8405482 -1.2155851 0.0000000 -1.2155851 1.8405482 0.0000000 0.0000000 0.0000000 2.6012024 12 Au 1.8405482 1.2155851 0.0000000 1.2155851 1.8405482 0.0000000 0.0000000 0.0000000 2.6012024----------------------------------------------------------------------------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: 0.272Solver_block: 160 / 160 - Time: 0.195Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.475--------------------------------- 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 2026-01-08 01:47:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 01:47:25]-------------------------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 -2.844556845000001 2.844556845000001 5.353183355000000 b 2.844556845000001 -2.844556845000001 5.353183355000000 c 2.844556845000001 2.844556845000001 -5.353183355000000Atomic positions (fractional): 1 F 0.69835673772652 0.54373033542286 0.50000000000000 18.998 2 F 0.95626966457714 0.80164326227348 0.50000000000000 18.998 3 F 0.30164326227348 0.45626966457714 0.50000000000000 18.998 4 F 0.45626966457714 0.95626966457714 0.15462640230366 18.998 5 F 0.04373033542286 0.19835673772652 0.50000000000000 18.998 6 F 0.19835673772652 0.69835673772652 0.15462640230366 18.998 7 F 0.54373033542286 0.04373033542286 0.84537359769634 18.998 8 F 0.80164326227348 0.30164326227348 0.84537359769634 18.998 9 Ag 0.25000000000000 0.25000000000000 0.00000000000000 107.868 10 Ag 0.75000000000000 0.75000000000000 0.00000000000000 107.868 11 Au 0.00000000000000 0.50000000000000 0.50000000000000 196.967 12 Au 0.50000000000000 0.00000000000000 0.50000000000000 196.967-------------------------------- supercell ---------------------------------Lattice vectors: a 11.378227380000002 0.000000000000000 0.000000000000000 b 0.000000000000000 11.378227380000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.706366709999999Atomic positions (fractional): 1 F 0.08634339942409 0.16365660057591 0.37104353657469 18.998 > 1 2 F 0.58634339942409 0.16365660057591 0.37104353657469 18.998 > 1 3 F 0.08634339942409 0.66365660057591 0.37104353657469 18.998 > 1 4 F 0.58634339942409 0.66365660057591 0.37104353657469 18.998 > 1 5 F 0.33634339942409 0.41365660057591 0.12895646342531 18.998 > 5 6 F 0.83634339942409 0.41365660057591 0.12895646342531 18.998 > 5 7 F 0.33634339942409 0.91365660057591 0.12895646342531 18.998 > 5 8 F 0.83634339942409 0.91365660057591 0.12895646342531 18.998 > 5 9 F 0.16365660057591 0.08634339942409 0.12895646342531 18.998 > 9 10 F 0.66365660057591 0.08634339942409 0.12895646342531 18.998 > 9 11 F 0.16365660057591 0.58634339942409 0.12895646342531 18.998 > 9 12 F 0.66365660057591 0.58634339942409 0.12895646342531 18.998 > 9 13 F 0.41365660057591 0.16365660057591 0.12895646342531 18.998 > 13 14 F 0.91365660057591 0.16365660057591 0.12895646342531 18.998 > 13 15 F 0.41365660057591 0.66365660057591 0.12895646342531 18.998 > 13 16 F 0.91365660057591 0.66365660057591 0.12895646342531 18.998 > 13 17 F 0.41365660057591 0.33634339942409 0.37104353657469 18.998 > 17 18 F 0.91365660057591 0.33634339942409 0.37104353657469 18.998 > 17 19 F 0.41365660057591 0.83634339942409 0.37104353657469 18.998 > 17 20 F 0.91365660057591 0.83634339942409 0.37104353657469 18.998 > 17 21 F 0.16365660057591 0.41365660057591 0.37104353657469 18.998 > 21 22 F 0.66365660057591 0.41365660057591 0.37104353657469 18.998 > 21 23 F 0.16365660057591 0.91365660057591 0.37104353657469 18.998 > 21 24 F 0.66365660057591 0.91365660057591 0.37104353657469 18.998 > 21 25 F 0.33634339942409 0.08634339942409 0.37104353657469 18.998 > 25 26 F 0.83634339942409 0.08634339942409 0.37104353657469 18.998 > 25 27 F 0.33634339942409 0.58634339942409 0.37104353657469 18.998 > 25 28 F 0.83634339942409 0.58634339942409 0.37104353657469 18.998 > 25 29 F 0.08634339942409 0.33634339942409 0.12895646342531 18.998 > 29 30 F 0.58634339942409 0.33634339942409 0.12895646342531 18.998 > 29 31 F 0.08634339942409 0.83634339942409 0.12895646342531 18.998 > 29 32 F 0.58634339942409 0.83634339942409 0.12895646342531 18.998 > 29 33 F 0.33634339942409 0.41365660057591 0.87104353657469 18.998 > 1 34 F 0.83634339942409 0.41365660057591 0.87104353657469 18.998 > 1 35 F 0.33634339942409 0.91365660057591 0.87104353657469 18.998 > 1 36 F 0.83634339942409 0.91365660057591 0.87104353657469 18.998 > 1 37 F 0.08634339942409 0.16365660057591 0.62895646342531 18.998 > 5 38 F 0.58634339942409 0.16365660057591 0.62895646342531 18.998 > 5 39 F 0.08634339942409 0.66365660057591 0.62895646342531 18.998 > 5 40 F 0.58634339942409 0.66365660057591 0.62895646342531 18.998 > 5 41 F 0.41365660057591 0.33634339942409 0.62895646342531 18.998 > 9 42 F 0.91365660057591 0.33634339942409 0.62895646342531 18.998 > 9 43 F 0.41365660057591 0.83634339942409 0.62895646342531 18.998 > 9 44 F 0.91365660057591 0.83634339942409 0.62895646342531 18.998 > 9 45 F 0.16365660057591 0.41365660057591 0.62895646342531 18.998 > 13 46 F 0.66365660057591 0.41365660057591 0.62895646342531 18.998 > 13 47 F 0.16365660057591 0.91365660057591 0.62895646342531 18.998 > 13 48 F 0.66365660057591 0.91365660057591 0.62895646342531 18.998 > 13 49 F 0.16365660057591 0.08634339942409 0.87104353657469 18.998 > 17 50 F 0.66365660057591 0.08634339942409 0.87104353657469 18.998 > 17 51 F 0.16365660057591 0.58634339942409 0.87104353657469 18.998 > 17 52 F 0.66365660057591 0.58634339942409 0.87104353657469 18.998 > 17 53 F 0.41365660057591 0.16365660057591 0.87104353657469 18.998 > 21 54 F 0.91365660057591 0.16365660057591 0.87104353657469 18.998 > 21 55 F 0.41365660057591 0.66365660057591 0.87104353657469 18.998 > 21 56 F 0.91365660057591 0.66365660057591 0.87104353657469 18.998 > 21 57 F 0.08634339942409 0.33634339942409 0.87104353657469 18.998 > 25 58 F 0.58634339942409 0.33634339942409 0.87104353657469 18.998 > 25 59 F 0.08634339942409 0.83634339942409 0.87104353657469 18.998 > 25 60 F 0.58634339942409 0.83634339942409 0.87104353657469 18.998 > 25 61 F 0.33634339942409 0.08634339942409 0.62895646342531 18.998 > 29 62 F 0.83634339942409 0.08634339942409 0.62895646342531 18.998 > 29 63 F 0.33634339942409 0.58634339942409 0.62895646342531 18.998 > 29 64 F 0.83634339942409 0.58634339942409 0.62895646342531 18.998 > 29 65 Ag 0.00000000000000 0.00000000000000 0.25000000000000 107.868 > 65 66 Ag 0.50000000000000 0.00000000000000 0.25000000000000 107.868 > 65 67 Ag 0.00000000000000 0.50000000000000 0.25000000000000 107.868 > 65 68 Ag 0.50000000000000 0.50000000000000 0.25000000000000 107.868 > 65 69 Ag 0.25000000000000 0.25000000000000 0.25000000000000 107.868 > 69 70 Ag 0.75000000000000 0.25000000000000 0.25000000000000 107.868 > 69 71 Ag 0.25000000000000 0.75000000000000 0.25000000000000 107.868 > 69 72 Ag 0.75000000000000 0.75000000000000 0.25000000000000 107.868 > 69 73 Ag 0.25000000000000 0.25000000000000 0.75000000000000 107.868 > 65 74 Ag 0.75000000000000 0.25000000000000 0.75000000000000 107.868 > 65 75 Ag 0.25000000000000 0.75000000000000 0.75000000000000 107.868 > 65 76 Ag 0.75000000000000 0.75000000000000 0.75000000000000 107.868 > 65 77 Ag 0.00000000000000 0.00000000000000 0.75000000000000 107.868 > 69 78 Ag 0.50000000000000 0.00000000000000 0.75000000000000 107.868 > 69 79 Ag 0.00000000000000 0.50000000000000 0.75000000000000 107.868 > 69 80 Ag 0.50000000000000 0.50000000000000 0.75000000000000 107.868 > 69 81 Au 0.25000000000000 0.00000000000000 0.00000000000000 196.967 > 81 82 Au 0.75000000000000 0.00000000000000 0.00000000000000 196.967 > 81 83 Au 0.25000000000000 0.50000000000000 0.00000000000000 196.967 > 81 84 Au 0.75000000000000 0.50000000000000 0.00000000000000 196.967 > 81 85 Au 0.00000000000000 0.25000000000000 0.00000000000000 196.967 > 85 86 Au 0.50000000000000 0.25000000000000 0.00000000000000 196.967 > 85 87 Au 0.00000000000000 0.75000000000000 0.00000000000000 196.967 > 85 88 Au 0.50000000000000 0.75000000000000 0.00000000000000 196.967 > 85 89 Au 0.00000000000000 0.25000000000000 0.50000000000000 196.967 > 81 90 Au 0.50000000000000 0.25000000000000 0.50000000000000 196.967 > 81 91 Au 0.00000000000000 0.75000000000000 0.50000000000000 196.967 > 81 92 Au 0.50000000000000 0.75000000000000 0.50000000000000 196.967 > 81 93 Au 0.25000000000000 0.00000000000000 0.50000000000000 196.967 > 85 94 Au 0.75000000000000 0.00000000000000 0.50000000000000 196.967 > 85 95 Au 0.25000000000000 0.50000000000000 0.50000000000000 196.967 > 85 96 Au 0.75000000000000 0.50000000000000 0.50000000000000 196.967 > 85----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.7053835 0.0000000 0.0000000 0.0000000 4.7053835 0.0000000 0.0000000 0.0000000 6.3179710-------------------------- Born effective charges -------------------------- 1 F -0.7276649 0.4378924 0.3918727 0.4378924 -0.7276649 -0.3918727 0.5181682 -0.5181682 -1.0154462 2 F -0.7276649 0.4378924 -0.3918727 0.4378924 -0.7276649 0.3918727 -0.5181682 0.5181682 -1.0154462 3 F -0.7276649 0.4378924 0.3918727 0.4378924 -0.7276649 -0.3918727 0.5181682 -0.5181682 -1.0154462 4 F -0.7276649 -0.4378924 0.3918727 -0.4378924 -0.7276649 0.3918727 0.5181682 0.5181682 -1.0154462 5 F -0.7276649 0.4378924 -0.3918727 0.4378924 -0.7276649 0.3918727 -0.5181682 0.5181682 -1.0154462 6 F -0.7276649 -0.4378924 -0.3918727 -0.4378924 -0.7276649 -0.3918727 -0.5181682 -0.5181682 -1.0154462 7 F -0.7276649 -0.4378924 0.3918727 -0.4378924 -0.7276649 0.3918727 0.5181682 0.5181682 -1.0154462 8 F -0.7276649 -0.4378924 -0.3918727 -0.4378924 -0.7276649 -0.3918727 -0.5181682 -0.5181682 -1.0154462 9 Ag 1.0701113 0.0000000 0.0000000 0.0000000 1.0701113 0.0000000 0.0000000 0.0000000 1.4605822 10 Ag 1.0701113 0.0000000 0.0000000 0.0000000 1.0701113 0.0000000 0.0000000 0.0000000 1.4605822 11 Au 1.8405482 -1.2155851 0.0000000 -1.2155851 1.8405482 0.0000000 0.0000000 0.0000000 2.6012024 12 Au 1.8405482 1.2155851 0.0000000 1.2155851 1.8405482 0.0000000 0.0000000 0.0000000 2.6012024----------------------------------------------------------------------------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 (zzy) -0.00000001 (zzy) -0.00000001 (zyz)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 01:47:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 01:47:31]-------------------------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 -2.844556845000001 2.844556845000001 5.353183355000000 b 2.844556845000001 -2.844556845000001 5.353183355000000 c 2.844556845000001 2.844556845000001 -5.353183355000000Atomic positions (fractional): 1 F 0.69835673772652 0.54373033542286 0.50000000000000 18.998 2 F 0.95626966457714 0.80164326227348 0.50000000000000 18.998 3 F 0.30164326227348 0.45626966457714 0.50000000000000 18.998 4 F 0.45626966457714 0.95626966457714 0.15462640230366 18.998 5 F 0.04373033542286 0.19835673772652 0.50000000000000 18.998 6 F 0.19835673772652 0.69835673772652 0.15462640230366 18.998 7 F 0.54373033542286 0.04373033542286 0.84537359769634 18.998 8 F 0.80164326227348 0.30164326227348 0.84537359769634 18.998 9 Ag 0.25000000000000 0.25000000000000 0.00000000000000 107.868 10 Ag 0.75000000000000 0.75000000000000 0.00000000000000 107.868 11 Au 0.00000000000000 0.50000000000000 0.50000000000000 196.967 12 Au 0.50000000000000 0.00000000000000 0.50000000000000 196.967-------------------------------- supercell ---------------------------------Lattice vectors: a 11.378227380000002 0.000000000000000 0.000000000000000 b 0.000000000000000 11.378227380000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.706366709999999Atomic positions (fractional): 1 F 0.08634339942409 0.16365660057591 0.37104353657469 18.998 > 1 2 F 0.58634339942409 0.16365660057591 0.37104353657469 18.998 > 1 3 F 0.08634339942409 0.66365660057591 0.37104353657469 18.998 > 1 4 F 0.58634339942409 0.66365660057591 0.37104353657469 18.998 > 1 5 F 0.33634339942409 0.41365660057591 0.12895646342531 18.998 > 5 6 F 0.83634339942409 0.41365660057591 0.12895646342531 18.998 > 5 7 F 0.33634339942409 0.91365660057591 0.12895646342531 18.998 > 5 8 F 0.83634339942409 0.91365660057591 0.12895646342531 18.998 > 5 9 F 0.16365660057591 0.08634339942409 0.12895646342531 18.998 > 9 10 F 0.66365660057591 0.08634339942409 0.12895646342531 18.998 > 9 11 F 0.16365660057591 0.58634339942409 0.12895646342531 18.998 > 9 12 F 0.66365660057591 0.58634339942409 0.12895646342531 18.998 > 9 13 F 0.41365660057591 0.16365660057591 0.12895646342531 18.998 > 13 14 F 0.91365660057591 0.16365660057591 0.12895646342531 18.998 > 13 15 F 0.41365660057591 0.66365660057591 0.12895646342531 18.998 > 13 16 F 0.91365660057591 0.66365660057591 0.12895646342531 18.998 > 13 17 F 0.41365660057591 0.33634339942409 0.37104353657469 18.998 > 17 18 F 0.91365660057591 0.33634339942409 0.37104353657469 18.998 > 17 19 F 0.41365660057591 0.83634339942409 0.37104353657469 18.998 > 17 20 F 0.91365660057591 0.83634339942409 0.37104353657469 18.998 > 17 21 F 0.16365660057591 0.41365660057591 0.37104353657469 18.998 > 21 22 F 0.66365660057591 0.41365660057591 0.37104353657469 18.998 > 21 23 F 0.16365660057591 0.91365660057591 0.37104353657469 18.998 > 21 24 F 0.66365660057591 0.91365660057591 0.37104353657469 18.998 > 21 25 F 0.33634339942409 0.08634339942409 0.37104353657469 18.998 > 25 26 F 0.83634339942409 0.08634339942409 0.37104353657469 18.998 > 25 27 F 0.33634339942409 0.58634339942409 0.37104353657469 18.998 > 25 28 F 0.83634339942409 0.58634339942409 0.37104353657469 18.998 > 25 29 F 0.08634339942409 0.33634339942409 0.12895646342531 18.998 > 29 30 F 0.58634339942409 0.33634339942409 0.12895646342531 18.998 > 29 31 F 0.08634339942409 0.83634339942409 0.12895646342531 18.998 > 29 32 F 0.58634339942409 0.83634339942409 0.12895646342531 18.998 > 29 33 F 0.33634339942409 0.41365660057591 0.87104353657469 18.998 > 1 34 F 0.83634339942409 0.41365660057591 0.87104353657469 18.998 > 1 35 F 0.33634339942409 0.91365660057591 0.87104353657469 18.998 > 1 36 F 0.83634339942409 0.91365660057591 0.87104353657469 18.998 > 1 37 F 0.08634339942409 0.16365660057591 0.62895646342531 18.998 > 5 38 F 0.58634339942409 0.16365660057591 0.62895646342531 18.998 > 5 39 F 0.08634339942409 0.66365660057591 0.62895646342531 18.998 > 5 40 F 0.58634339942409 0.66365660057591 0.62895646342531 18.998 > 5 41 F 0.41365660057591 0.33634339942409 0.62895646342531 18.998 > 9 42 F 0.91365660057591 0.33634339942409 0.62895646342531 18.998 > 9 43 F 0.41365660057591 0.83634339942409 0.62895646342531 18.998 > 9 44 F 0.91365660057591 0.83634339942409 0.62895646342531 18.998 > 9 45 F 0.16365660057591 0.41365660057591 0.62895646342531 18.998 > 13 46 F 0.66365660057591 0.41365660057591 0.62895646342531 18.998 > 13 47 F 0.16365660057591 0.91365660057591 0.62895646342531 18.998 > 13 48 F 0.66365660057591 0.91365660057591 0.62895646342531 18.998 > 13 49 F 0.16365660057591 0.08634339942409 0.87104353657469 18.998 > 17 50 F 0.66365660057591 0.08634339942409 0.87104353657469 18.998 > 17 51 F 0.16365660057591 0.58634339942409 0.87104353657469 18.998 > 17 52 F 0.66365660057591 0.58634339942409 0.87104353657469 18.998 > 17 53 F 0.41365660057591 0.16365660057591 0.87104353657469 18.998 > 21 54 F 0.91365660057591 0.16365660057591 0.87104353657469 18.998 > 21 55 F 0.41365660057591 0.66365660057591 0.87104353657469 18.998 > 21 56 F 0.91365660057591 0.66365660057591 0.87104353657469 18.998 > 21 57 F 0.08634339942409 0.33634339942409 0.87104353657469 18.998 > 25 58 F 0.58634339942409 0.33634339942409 0.87104353657469 18.998 > 25 59 F 0.08634339942409 0.83634339942409 0.87104353657469 18.998 > 25 60 F 0.58634339942409 0.83634339942409 0.87104353657469 18.998 > 25 61 F 0.33634339942409 0.08634339942409 0.62895646342531 18.998 > 29 62 F 0.83634339942409 0.08634339942409 0.62895646342531 18.998 > 29 63 F 0.33634339942409 0.58634339942409 0.62895646342531 18.998 > 29 64 F 0.83634339942409 0.58634339942409 0.62895646342531 18.998 > 29 65 Ag 0.00000000000000 0.00000000000000 0.25000000000000 107.868 > 65 66 Ag 0.50000000000000 0.00000000000000 0.25000000000000 107.868 > 65 67 Ag 0.00000000000000 0.50000000000000 0.25000000000000 107.868 > 65 68 Ag 0.50000000000000 0.50000000000000 0.25000000000000 107.868 > 65 69 Ag 0.25000000000000 0.25000000000000 0.25000000000000 107.868 > 69 70 Ag 0.75000000000000 0.25000000000000 0.25000000000000 107.868 > 69 71 Ag 0.25000000000000 0.75000000000000 0.25000000000000 107.868 > 69 72 Ag 0.75000000000000 0.75000000000000 0.25000000000000 107.868 > 69 73 Ag 0.25000000000000 0.25000000000000 0.75000000000000 107.868 > 65 74 Ag 0.75000000000000 0.25000000000000 0.75000000000000 107.868 > 65 75 Ag 0.25000000000000 0.75000000000000 0.75000000000000 107.868 > 65 76 Ag 0.75000000000000 0.75000000000000 0.75000000000000 107.868 > 65 77 Ag 0.00000000000000 0.00000000000000 0.75000000000000 107.868 > 69 78 Ag 0.50000000000000 0.00000000000000 0.75000000000000 107.868 > 69 79 Ag 0.00000000000000 0.50000000000000 0.75000000000000 107.868 > 69 80 Ag 0.50000000000000 0.50000000000000 0.75000000000000 107.868 > 69 81 Au 0.25000000000000 0.00000000000000 0.00000000000000 196.967 > 81 82 Au 0.75000000000000 0.00000000000000 0.00000000000000 196.967 > 81 83 Au 0.25000000000000 0.50000000000000 0.00000000000000 196.967 > 81 84 Au 0.75000000000000 0.50000000000000 0.00000000000000 196.967 > 81 85 Au 0.00000000000000 0.25000000000000 0.00000000000000 196.967 > 85 86 Au 0.50000000000000 0.25000000000000 0.00000000000000 196.967 > 85 87 Au 0.00000000000000 0.75000000000000 0.00000000000000 196.967 > 85 88 Au 0.50000000000000 0.75000000000000 0.00000000000000 196.967 > 85 89 Au 0.00000000000000 0.25000000000000 0.50000000000000 196.967 > 81 90 Au 0.50000000000000 0.25000000000000 0.50000000000000 196.967 > 81 91 Au 0.00000000000000 0.75000000000000 0.50000000000000 196.967 > 81 92 Au 0.50000000000000 0.75000000000000 0.50000000000000 196.967 > 81 93 Au 0.25000000000000 0.00000000000000 0.50000000000000 196.967 > 85 94 Au 0.75000000000000 0.00000000000000 0.50000000000000 196.967 > 85 95 Au 0.25000000000000 0.50000000000000 0.50000000000000 196.967 > 85 96 Au 0.75000000000000 0.50000000000000 0.50000000000000 196.967 > 85----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 4.7053835 0.0000000 0.0000000 0.0000000 4.7053835 0.0000000 0.0000000 0.0000000 6.3179710-------------------------- Born effective charges -------------------------- 1 F -0.7276649 0.4378924 0.3918727 0.4378924 -0.7276649 -0.3918727 0.5181682 -0.5181682 -1.0154462 2 F -0.7276649 0.4378924 -0.3918727 0.4378924 -0.7276649 0.3918727 -0.5181682 0.5181682 -1.0154462 3 F -0.7276649 0.4378924 0.3918727 0.4378924 -0.7276649 -0.3918727 0.5181682 -0.5181682 -1.0154462 4 F -0.7276649 -0.4378924 0.3918727 -0.4378924 -0.7276649 0.3918727 0.5181682 0.5181682 -1.0154462 5 F -0.7276649 0.4378924 -0.3918727 0.4378924 -0.7276649 0.3918727 -0.5181682 0.5181682 -1.0154462 6 F -0.7276649 -0.4378924 -0.3918727 -0.4378924 -0.7276649 -0.3918727 -0.5181682 -0.5181682 -1.0154462 7 F -0.7276649 -0.4378924 0.3918727 -0.4378924 -0.7276649 0.3918727 0.5181682 0.5181682 -1.0154462 8 F -0.7276649 -0.4378924 -0.3918727 -0.4378924 -0.7276649 -0.3918727 -0.5181682 -0.5181682 -1.0154462 9 Ag 1.0701113 0.0000000 0.0000000 0.0000000 1.0701113 0.0000000 0.0000000 0.0000000 1.4605822 10 Ag 1.0701113 0.0000000 0.0000000 0.0000000 1.0701113 0.0000000 0.0000000 0.0000000 1.4605822 11 Au 1.8405482 -1.2155851 0.0000000 -1.2155851 1.8405482 0.0000000 0.0000000 0.0000000 2.6012024 12 Au 1.8405482 1.2155851 0.0000000 1.2155851 1.8405482 0.0000000 0.0000000 0.0000000 2.6012024----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000001 (zzy) -0.00000001 (zzy) -0.00000001 (zyz)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: 0.74, Number of G-points: 287, Lambda: 0.18Running 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 8.58e-05 8.58e-05 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 1.650 ( 0.000 0.000 0.000) 0.000 2.010 ( 0.000 0.000 0.000) 0.000 2.417 ( 0.000 0.000 0.000) 0.000 2.417 ( 0.000 0.000 0.000) 0.000 2.553 ( 0.000 0.000 0.000) 0.000 2.553 ( 0.000 0.000 0.000) 0.000 2.955 ( 0.000 0.000 0.000) 0.000 2.955 ( 0.000 0.000 0.000) 0.000 3.019 ( 0.000 0.000 0.000) 0.000 3.229 ( 0.000 0.000 0.000) 0.000 3.229 ( 0.000 0.000 0.000) 0.000 3.253 ( 0.000 0.000 0.000) 0.000 3.724 ( 0.000 0.000 0.000) 0.000 3.724 ( 0.000 0.000 0.000) 0.000 5.493 ( 0.000 0.000 0.000) 0.000 5.642 ( 0.000 0.000 0.000) 0.000 5.996 ( 0.000 0.000 0.000) 0.000 6.173 ( 0.000 0.000 0.000) 0.000 6.613 ( 0.000 0.000 0.000) 0.000 6.613 ( 0.000 0.000 0.000) 0.000 6.666 ( 0.000 0.000 0.000) 0.000 7.236 ( 0.000 0.000 0.000) 0.000 7.311 ( 0.000 0.000 0.000) 0.000 7.350 ( 0.000 0.000 0.000) 0.000 7.350 ( 0.000 0.000 0.000) 0.000 14.792 ( 0.000 0.000 0.000) 0.000 14.832 ( 0.000 0.000 0.000) 0.000 15.174 ( 0.000 0.000 0.000) 0.000 15.174 ( 0.000 0.000 0.000) 0.000 16.137 ( 0.000 0.000 0.000) 0.000 16.137 ( 0.000 0.000 0.000) 0.000 16.253 ( 0.000 0.000 0.000) 0.000 16.383 ( 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.364 ( 9.177 9.177 0.000) 12.978 0.429 ( 10.978 10.978 0.000) 15.526 0.848 ( 21.035 21.035 0.000) 29.748 1.619 ( -1.487 -1.487 0.000) 2.103 1.923 ( -3.503 -3.503 0.000) 4.954 2.473 ( -4.190 -4.190 0.000) 5.926 2.489 ( 1.683 1.683 0.000) 2.380 2.561 ( 0.095 0.095 0.000) 0.135 2.659 ( 4.913 4.913 0.000) 6.948 2.661 ( -5.137 -5.137 0.000) 7.265 3.071 ( 1.186 1.186 0.000) 1.677 3.097 ( -5.597 -5.597 0.000) 7.916 3.195 ( -1.625 -1.625 0.000) 2.297 3.335 ( 2.704 2.704 0.000) 3.825 3.436 ( 12.115 12.115 0.000) 17.133 3.740 ( 1.428 1.428 0.000) 2.020 3.745 ( 1.480 1.480 0.000) 2.092 5.442 ( -9.262 -9.262 0.000) 13.098 5.567 ( 3.487 3.487 0.000) 4.932 5.938 ( -2.518 -2.518 0.000) 3.560 6.168 ( 0.140 0.140 0.000) 0.197 6.660 ( 1.816 1.816 0.000) 2.568 6.704 ( 1.733 1.733 0.000) 2.450 6.890 ( 3.653 3.653 0.000) 5.167 7.176 ( -3.034 -3.034 0.000) 4.291 7.304 ( -0.396 -0.396 0.000) 0.560 7.332 ( -0.978 -0.978 0.000) 1.383 7.353 ( -0.003 -0.003 0.000) 0.004 14.730 ( -3.486 -3.486 0.000) 4.930 14.840 ( 0.883 0.883 0.000) 1.249 15.089 ( -3.849 -3.849 0.000) 5.444 15.164 ( -0.505 -0.505 0.000) 0.714 16.157 ( 0.962 0.962 0.000) 1.361 16.290 ( 0.409 0.409 0.000) 0.578 16.418 ( 2.779 2.779 0.000) 3.930 16.776 ( 1.368 1.368 0.000) 1.935======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.716 ( 8.912 8.912 0.000) 12.603 0.853 ( 10.624 10.624 0.000) 15.024 1.548 ( -1.986 -1.986 0.000) 2.809 1.616 ( 17.935 17.935 0.000) 25.364 1.794 ( -2.692 -2.692 0.000) 3.807 2.243 ( -7.224 -7.224 0.000) 10.216 2.354 ( -5.614 -5.614 0.000) 7.939 2.521 ( -2.620 -2.620 0.000) 3.705 2.714 ( 4.279 4.279 0.000) 6.051 2.774 ( -6.616 -6.616 0.000) 9.356 2.912 ( 3.159 3.159 0.000) 4.468 3.128 ( -1.405 -1.405 0.000) 1.987 3.129 ( 1.564 1.564 0.000) 2.211 3.422 ( 1.764 1.764 0.000) 2.495 3.876 ( 5.487 5.487 0.000) 7.759 3.884 ( 9.664 9.664 0.000) 13.667 3.887 ( 6.123 6.123 0.000) 8.659 5.016 ( -10.950 -10.950 0.000) 15.485 5.731 ( 4.389 4.389 0.000) 6.207 5.854 ( -1.243 -1.243 0.000) 1.758 6.195 ( 1.264 1.264 0.000) 1.788 6.721 ( 1.137 1.137 0.000) 1.607 6.780 ( 1.931 1.931 0.000) 2.732 7.008 ( -5.375 -5.375 0.000) 7.601 7.029 ( 3.026 3.026 0.000) 4.280 7.271 ( -2.191 -2.191 0.000) 3.099 7.278 ( -0.925 -0.925 0.000) 1.308 7.335 ( -1.075 -1.075 0.000) 1.521 14.546 ( -5.506 -5.506 0.000) 7.787 14.890 ( 1.508 1.508 0.000) 2.132 14.920 ( -4.328 -4.328 0.000) 6.121 15.139 ( -0.689 -0.689 0.000) 0.974 16.204 ( 1.321 1.321 0.000) 1.868 16.260 ( -1.403 -1.403 0.000) 1.984 16.584 ( 4.805 4.805 0.000) 6.796 16.836 ( 1.505 1.505 0.000) 2.128======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.068 ( 9.203 9.203 0.000) 13.016 1.247 ( 9.160 9.160 0.000) 12.954 1.483 ( -0.850 -0.850 0.000) 1.203 1.723 ( -1.026 -1.026 0.000) 1.452 1.943 ( -7.155 -7.155 0.000) 10.119 2.116 ( -6.844 -6.844 0.000) 9.679 2.226 ( 12.619 12.619 0.000) 17.846 2.365 ( -4.671 -4.671 0.000) 6.606 2.427 ( -9.357 -9.357 0.000) 13.233 2.896 ( 4.991 4.991 0.000) 7.058 3.028 ( 1.191 1.191 0.000) 1.685 3.097 ( -0.315 -0.315 0.000) 0.445 3.175 ( 0.584 0.584 0.000) 0.826 3.510 ( 2.811 2.811 0.000) 3.976 4.009 ( -5.084 -5.084 0.000) 7.190 4.154 ( 8.002 8.002 0.000) 11.317 4.167 ( 7.280 7.280 0.000) 10.296 4.793 ( 1.509 1.509 0.000) 2.134 5.849 ( 0.722 0.722 0.000) 1.020 5.876 ( 2.704 2.704 0.000) 3.824 6.270 ( 2.629 2.629 0.000) 3.718 6.746 ( 0.200 0.200 0.000) 0.283 6.782 ( -5.697 -5.697 0.000) 8.057 6.839 ( 0.969 0.969 0.000) 1.371 7.090 ( -1.005 -1.005 0.000) 1.422 7.183 ( -1.126 -1.126 0.000) 1.592 7.236 ( -1.122 -1.122 0.000) 1.586 7.270 ( -2.040 -2.040 0.000) 2.885 14.333 ( -4.964 -4.964 0.000) 7.021 14.774 ( -2.964 -2.964 0.000) 4.192 14.947 ( 1.277 1.277 0.000) 1.806 15.115 ( -0.519 -0.519 0.000) 0.733 16.204 ( -1.308 -1.308 0.000) 1.850 16.251 ( 1.011 1.011 0.000) 1.430 16.752 ( 3.541 3.541 0.000) 5.008 16.883 ( 0.859 0.859 0.000) 1.214======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.400 ( -0.117 -0.117 0.000) 0.166 1.437 ( 9.505 9.505 0.000) 13.442 1.647 ( 7.587 7.587 0.000) 10.730 1.703 ( -0.190 -0.190 0.000) 0.269 1.726 ( -3.200 -3.200 0.000) 4.526 1.810 ( -8.658 -8.658 0.000) 12.244 2.079 ( -7.907 -7.907 0.000) 11.182 2.216 ( -2.283 -2.283 0.000) 3.228 2.582 ( 5.038 5.038 0.000) 7.124 3.035 ( -0.231 -0.231 0.000) 0.327 3.091 ( 4.229 4.229 0.000) 5.981 3.092 ( -0.024 -0.024 0.000) 0.033 3.174 ( -0.343 -0.343 0.000) 0.485 3.603 ( 1.438 1.438 0.000) 2.033 3.705 ( -6.767 -6.767 0.000) 9.571 4.387 ( 3.247 3.247 0.000) 4.592 4.418 ( 4.250 4.250 0.000) 6.011 4.940 ( 3.091 3.091 0.000) 4.372 5.881 ( 0.567 0.567 0.000) 0.802 5.931 ( 0.347 0.347 0.000) 0.490 6.382 ( 2.359 2.359 0.000) 3.337 6.611 ( -2.449 -2.449 0.000) 3.464 6.743 ( -0.176 -0.176 0.000) 0.249 6.858 ( 0.118 0.118 0.000) 0.167 6.981 ( -2.618 -2.618 0.000) 3.703 7.188 ( 0.316 0.316 0.000) 0.447 7.202 ( -1.093 -1.093 0.000) 1.545 7.202 ( -0.481 -0.481 0.000) 0.681 14.190 ( -2.019 -2.019 0.000) 2.855 14.696 ( -1.023 -1.023 0.000) 1.446 14.983 ( 0.490 0.490 0.000) 0.693 15.101 ( -0.182 -0.182 0.000) 0.257 16.167 ( -0.511 -0.511 0.000) 0.723 16.278 ( 0.361 0.361 0.000) 0.511 16.848 ( 1.266 1.266 0.000) 1.790 16.904 ( 0.239 0.239 0.000) 0.338======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 225Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.635 ( -0.000 13.224 4.544) 13.983 0.680 ( -0.000 14.587 6.173) 15.839 1.279 ( -0.000 23.264 13.575) 26.935 1.619 ( -0.000 -3.099 2.245) 3.827 1.894 ( -0.000 -3.348 1.764) 3.784 2.283 ( 0.000 -7.595 -8.750) 11.587 2.503 ( 0.000 -0.109 -8.971) 8.972 2.511 ( 0.000 4.617 -3.993) 6.104 2.649 ( 0.000 7.930 -5.560) 9.685 2.734 ( -0.000 -0.871 5.879) 5.943 2.896 ( 0.000 -0.954 -5.084) 5.173 3.067 ( 0.000 -8.479 1.645) 8.637 3.251 ( -0.000 -0.429 1.296) 1.366 3.298 ( -0.000 -3.628 2.385) 4.342 3.559 ( -0.000 16.241 -7.471) 17.877 3.820 ( -0.000 -1.979 13.254) 13.401 3.994 ( -0.000 6.484 10.070) 11.977 5.281 ( 0.000 -16.900 2.250) 17.050 5.677 ( -0.000 8.531 2.415) 8.867 5.896 ( -0.000 -4.891 3.417) 5.967 6.082 ( 0.000 -0.608 -6.347) 6.376 6.787 ( -0.000 3.342 4.330) 5.470 6.800 ( -0.000 6.143 0.757) 6.190 6.881 ( -0.000 5.808 -1.027) 5.898 7.095 ( 0.000 -6.509 -1.800) 6.753 7.277 ( 0.000 -0.815 -2.169) 2.317 7.288 ( 0.000 -2.058 -1.754) 2.704 7.341 ( 0.000 -0.072 -1.844) 1.846 14.672 ( 0.000 -3.034 -5.129) 5.960 14.683 ( 0.000 -4.537 -5.078) 6.810 15.064 ( 0.000 -1.805 -1.482) 2.336 15.111 ( 0.000 -2.021 -0.483) 2.078 16.227 ( -0.000 2.477 -1.005) 2.673 16.294 ( 0.000 1.811 -3.308) 3.771 16.476 ( -0.000 6.970 7.097) 9.947 16.962 ( -0.000 -4.133 12.806) 13.457======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 405Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.934 ( 2.972 13.401 2.183) 13.899 0.961 ( 1.454 13.184 4.183) 13.908 1.544 ( -0.585 -3.559 0.223) 3.614 1.810 ( 8.103 18.177 6.813) 21.035 1.833 ( -1.660 0.385 3.744) 4.114 2.095 ( -2.073 -9.730 -7.732) 12.600 2.398 ( -6.726 -0.983 -4.220) 8.000 2.511 ( -6.323 0.155 -2.356) 6.750 2.757 ( -6.370 -8.055 -1.833) 10.432 2.764 ( 3.403 1.360 5.678) 6.758 2.867 ( 4.754 5.753 -2.115) 7.757 3.027 ( 7.267 -1.688 -2.192) 7.776 3.155 ( -2.793 -1.714 0.375) 3.298 3.318 ( 4.749 -3.190 -0.496) 5.743 3.814 ( 2.211 5.477 2.979) 6.615 3.919 ( 4.584 9.279 -1.762) 10.498 4.190 ( 1.773 11.017 5.910) 12.627 4.874 ( -3.851 -18.056 1.890) 18.558 5.815 ( 1.401 -3.709 3.381) 5.211 5.885 ( 0.521 10.795 3.637) 11.403 6.101 ( 1.953 0.381 -6.131) 6.446 6.849 ( -3.446 3.239 0.196) 4.733 6.861 ( 0.253 3.422 4.173) 5.403 6.920 ( -2.479 -6.974 -1.584) 7.569 7.032 ( 2.673 3.652 0.102) 4.527 7.229 ( -0.934 -2.820 -1.464) 3.312 7.252 ( -0.323 -1.769 -1.852) 2.581 7.318 ( -0.844 -1.594 -1.388) 2.276 14.519 ( -4.145 -4.369 -2.419) 6.490 14.694 ( 5.038 -3.389 -7.221) 9.434 14.965 ( -3.503 -4.270 4.767) 7.296 15.071 ( 0.691 -1.779 -0.200) 1.918 16.256 ( -1.483 1.477 -0.743) 2.221 16.393 ( 3.398 3.326 -4.728) 6.706 16.578 ( -3.339 7.761 4.750) 9.692 16.921 ( 0.958 -1.416 7.282) 7.480======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 405Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.237 ( 1.867 13.507 3.454) 14.066 1.276 ( 6.573 9.794 -0.069) 11.796 1.475 ( 0.048 -2.295 -1.973) 3.027 1.799 ( -2.400 -0.962 3.857) 4.644 1.843 ( -3.157 -7.286 -4.268) 9.015 2.106 ( -3.291 -2.147 -0.620) 3.978 2.276 ( -7.046 -7.937 0.552) 10.628 2.387 ( -2.394 8.052 -0.520) 8.417 2.502 ( -4.428 0.240 1.616) 4.720 2.880 ( 5.870 0.789 0.869) 5.986 3.004 ( 2.513 0.473 0.743) 2.662 3.090 ( -0.594 -0.144 -1.584) 1.697 3.158 ( 4.174 0.247 1.131) 4.331 3.356 ( 6.954 -3.931 -2.026) 8.241 4.037 ( 8.963 5.835 1.703) 10.830 4.073 ( -4.785 -2.443 0.335) 5.383 4.330 ( 0.387 3.280 4.018) 5.201 4.684 ( 4.128 3.293 -6.373) 8.277 5.809 ( 3.745 -2.571 3.922) 6.002 6.084 ( -1.926 10.238 4.774) 11.459 6.174 ( 3.012 2.130 -5.684) 6.776 6.673 ( -2.148 -9.362 -3.980) 10.397 6.873 ( -4.136 3.750 2.132) 5.976 6.919 ( -0.520 2.447 4.255) 4.936 7.079 ( -1.788 -1.982 -0.899) 2.817 7.170 ( 0.403 -0.313 0.165) 0.536 7.204 ( -0.507 -2.005 -2.041) 2.905 7.251 ( -1.317 -2.630 -0.643) 3.010 14.362 ( -4.013 -3.088 1.792) 5.371 14.728 ( 5.037 -3.467 -9.007) 10.886 14.814 ( -2.887 -3.901 5.115) 7.051 15.058 ( 0.983 -1.354 0.188) 1.684 16.247 ( -1.266 0.561 0.178) 1.396 16.482 ( -1.938 4.201 5.050) 6.849 16.687 ( 0.002 6.622 -4.732) 8.139 16.917 ( 0.113 -0.684 1.989) 2.106======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 405Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.421 ( 0.243 -0.468 -2.629) 2.682 1.549 ( 4.283 11.798 1.880) 12.691 1.586 ( 4.844 -1.311 -3.996) 6.414 1.646 ( 3.261 1.447 -2.151) 4.166 1.821 ( -3.135 3.010 6.322) 7.672 1.878 ( -9.101 -4.537 1.061) 10.224 1.962 ( -5.674 -9.427 1.779) 11.146 2.255 ( -6.492 0.084 -5.131) 8.276 2.698 ( 1.054 7.086 4.430) 8.423 2.995 ( 4.658 -1.192 -3.529) 5.964 3.017 ( 1.507 -1.595 -0.543) 2.260 3.085 ( 0.770 -0.586 -0.921) 1.336 3.215 ( 0.750 0.942 4.011) 4.188 3.424 ( 7.725 -4.802 -2.086) 9.332 3.792 ( -3.823 -8.216 8.726) 12.580 4.309 ( 6.725 3.402 0.056) 7.537 4.444 ( 0.973 2.391 -1.868) 3.186 4.854 ( -0.489 6.019 -11.212) 12.735 5.834 ( 4.008 -3.141 4.049) 6.506 6.188 ( -5.579 7.695 7.445) 12.073 6.279 ( 2.989 1.307 -6.378) 7.164 6.508 ( 0.798 -5.103 -4.392) 6.780 6.858 ( -3.715 2.973 2.118) 5.209 6.936 ( -1.002 0.895 2.933) 3.226 6.966 ( -2.274 -2.358 0.485) 3.312 7.164 ( 0.320 -1.454 -1.917) 2.427 7.186 ( 0.043 -0.825 0.076) 0.829 7.194 ( -0.213 -0.083 0.170) 0.284 14.260 ( -2.320 -0.525 5.215) 5.732 14.716 ( -0.452 -1.987 3.435) 3.994 14.755 ( 4.331 -3.870 -9.667) 11.278 15.054 ( 1.041 -1.107 0.433) 1.580 16.235 ( -0.955 0.598 0.986) 1.497 16.504 ( -4.177 4.594 8.681) 10.673 16.807 ( 1.261 3.849 -6.190) 7.397 16.887 ( -2.271 -0.279 -2.578) 3.447======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 225Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.450 ( -7.541 7.541 8.286) 13.505 0.508 ( -8.786 8.786 7.955) 14.753 1.037 ( -16.626 16.626 18.052) 29.644 1.652 ( 1.553 -1.553 3.293) 3.958 1.933 ( 3.543 -3.543 0.890) 5.090 2.378 ( 2.055 -2.055 -7.025) 7.603 2.432 ( 1.347 -1.347 -8.531) 8.741 2.443 ( -1.376 1.376 -6.193) 6.491 2.604 ( -5.942 5.942 -7.308) 11.137 2.733 ( 2.099 -2.099 4.250) 5.184 2.947 ( -0.353 0.353 -7.035) 7.053 3.188 ( 0.471 -0.471 -1.608) 1.741 3.200 ( 4.485 -4.485 6.271) 8.920 3.354 ( -8.486 8.486 -4.799) 12.925 3.375 ( 0.613 -0.613 2.772) 2.904 3.886 ( -0.431 0.431 12.519) 12.534 3.903 ( -2.175 2.175 13.339) 13.689 5.453 ( 9.131 -9.131 1.188) 12.968 5.595 ( -3.672 3.672 2.753) 5.878 5.953 ( 2.660 -2.660 1.571) 4.076 6.110 ( -0.222 0.222 -4.758) 4.769 6.675 ( -1.910 1.910 1.545) 3.112 6.751 ( -1.708 1.708 4.405) 5.024 6.843 ( -5.746 5.746 -2.831) 8.605 7.161 ( 3.181 -3.181 -1.544) 4.756 7.282 ( 0.532 -0.532 -2.252) 2.375 7.315 ( 0.738 -0.738 -1.814) 2.092 7.333 ( -0.092 0.092 -2.062) 2.066 14.685 ( 3.173 -3.173 -4.507) 6.360 14.779 ( -0.260 0.260 -5.633) 5.645 15.079 ( 0.262 -0.262 -8.108) 8.116 15.101 ( 1.632 -1.632 -1.450) 2.726 16.248 ( -0.810 0.810 8.743) 8.818 16.268 ( -3.191 3.191 -4.931) 6.684 16.353 ( -1.202 1.202 6.063) 6.296 17.031 ( 4.717 -4.717 14.396) 15.866======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 230Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.173 ( -0.000 10.212 3.360) 10.751 1.340 ( -0.000 11.706 6.479) 13.380 1.412 ( 0.000 -6.501 -1.684) 6.715 1.737 ( 0.000 -10.706 -9.791) 14.508 1.989 ( -0.000 2.172 6.974) 7.304 2.086 ( -0.000 5.368 -1.064) 5.472 2.436 ( -0.000 4.748 2.119) 5.200 2.609 ( 0.000 4.723 -2.670) 5.426 2.656 ( 0.000 -5.044 -7.023) 8.647 2.701 ( 0.000 -7.072 0.481) 7.088 2.947 ( -0.000 -0.620 11.298) 11.315 2.949 ( -0.000 9.114 -1.661) 9.265 3.109 ( 0.000 -5.979 -0.155) 5.981 3.160 ( 0.000 -2.620 -5.278) 5.893 3.970 ( -0.000 -3.541 9.907) 10.520 3.987 ( 0.000 11.210 -7.868) 13.696 4.419 ( -0.000 13.293 -4.200) 13.941 4.614 ( 0.000 -18.813 6.642) 19.951 5.830 ( -0.000 -3.144 7.339) 7.984 5.937 ( 0.000 1.754 -8.570) 8.748 6.243 ( -0.000 14.026 5.844) 15.195 6.623 ( 0.000 -12.645 -5.682) 13.862 7.017 ( -0.000 3.280 4.616) 5.663 7.032 ( -0.000 3.246 1.403) 3.536 7.087 ( -0.000 2.283 0.495) 2.336 7.159 ( 0.000 -2.426 -3.716) 4.438 7.170 ( 0.000 -1.168 0.522) 1.279 7.246 ( 0.000 -2.602 -2.550) 3.643 14.461 ( 0.000 -1.863 -1.581) 2.444 14.475 ( 0.000 -1.459 -3.231) 3.545 15.023 ( -0.000 -0.972 2.119) 2.332 15.042 ( -0.000 -1.560 0.857) 1.779 16.290 ( 0.000 -0.554 0.073) 0.558 16.293 ( 0.000 3.012 -3.650) 4.732 16.857 ( -0.000 6.585 2.743) 7.134 16.961 ( -0.000 -4.326 3.212) 5.388======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 406Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.280 ( 1.612 -6.846 -5.463) 8.906 1.375 ( 1.998 5.411 0.309) 5.776 1.509 ( -1.487 -8.215 -9.064) 12.323 1.577 ( -0.028 11.850 6.312) 13.427 2.007 ( -0.506 0.260 6.536) 6.561 2.078 ( -2.485 -2.822 -4.340) 5.742 2.385 ( -7.611 -5.829 4.957) 10.792 2.494 ( -6.588 -0.922 0.007) 6.652 2.631 ( 5.502 -6.347 -5.133) 9.844 2.714 ( 1.368 8.586 2.411) 9.022 2.968 ( 4.866 -5.063 1.960) 7.290 3.037 ( -1.372 -0.688 2.119) 2.616 3.129 ( 3.494 1.034 -0.123) 3.646 3.184 ( 3.968 4.386 -2.106) 6.278 3.900 ( 2.148 -9.437 2.752) 10.062 4.167 ( 0.321 6.525 -6.344) 9.106 4.336 ( 2.488 -6.556 4.647) 8.412 4.718 ( -1.488 15.987 -6.753) 17.418 5.805 ( 2.008 -1.927 7.125) 7.649 6.006 ( 2.337 3.098 -8.318) 9.178 6.361 ( -0.109 -12.791 -6.216) 14.222 6.500 ( -1.740 12.869 5.452) 14.084 7.024 ( -2.335 -3.141 -0.721) 3.980 7.039 ( -2.328 0.282 2.008) 3.087 7.078 ( -0.551 0.682 3.520) 3.627 7.107 ( 0.270 -2.295 -2.675) 3.535 7.192 ( -0.027 -0.780 0.044) 0.782 7.201 ( 0.366 0.789 0.939) 1.280 14.424 ( -0.796 -0.145 3.083) 3.187 14.481 ( 1.715 -0.681 -3.581) 4.028 14.928 ( -3.533 -3.781 7.459) 9.078 15.031 ( 1.062 -1.053 1.585) 2.179 16.276 ( -0.611 0.097 -0.312) 0.693 16.412 ( 3.729 4.116 -8.319) 10.003 16.859 ( -1.920 -3.668 0.614) 4.185 16.964 ( -2.426 6.267 -0.081) 6.720======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 406Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.207 ( 4.474 -6.765 -7.664) 11.159 1.252 ( 1.390 -8.185 -8.886) 12.161 1.620 ( 3.069 6.962 -2.208) 7.923 1.826 ( 1.534 11.268 5.103) 12.465 1.875 ( -4.945 -5.226 0.387) 7.206 2.034 ( -2.364 -0.662 4.179) 4.846 2.150 ( -4.674 -2.575 6.901) 8.723 2.317 ( -6.327 -1.282 -0.254) 6.460 2.641 ( 6.656 -5.735 -7.595) 11.614 2.902 ( 1.584 4.214 1.686) 4.807 2.952 ( 2.901 -3.386 0.348) 4.473 2.977 ( -0.042 -1.925 0.561) 2.005 3.231 ( 3.916 -0.203 -0.217) 3.927 3.308 ( 1.459 2.080 4.118) 4.839 3.691 ( 3.257 -12.217 4.045) 13.275 4.309 ( 3.418 3.856 -2.929) 5.926 4.372 ( 1.634 -0.150 -5.062) 5.321 4.914 ( -7.898 12.733 -8.865) 17.409 5.811 ( 2.136 -1.838 6.002) 6.630 6.126 ( 2.574 2.410 -6.741) 7.607 6.167 ( 3.590 -9.176 -6.631) 11.877 6.657 ( -5.386 9.754 5.458) 12.408 6.898 ( -1.673 -3.343 -2.099) 4.288 6.985 ( -0.989 -1.369 2.798) 3.268 7.040 ( 0.396 -2.187 -1.585) 2.730 7.112 ( -0.301 0.865 2.987) 3.124 7.179 ( -0.523 0.437 0.415) 0.798 7.226 ( -0.090 0.652 2.103) 2.204 14.422 ( -0.424 0.754 7.155) 7.207 14.506 ( 1.213 -0.005 -3.124) 3.352 14.794 ( -1.789 -3.020 7.408) 8.198 15.033 ( 1.009 -0.953 1.666) 2.168 16.270 ( -0.325 0.183 0.371) 0.526 16.573 ( 4.197 3.969 -7.315) 9.321 16.734 ( -2.822 -4.207 -4.712) 6.918 17.016 ( -5.092 6.478 -0.958) 8.295======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 406Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.003 ( -10.439 3.314 5.549) 12.278 1.079 ( -12.402 -0.353 8.110) 14.823 1.554 ( 6.514 0.606 0.836) 6.595 1.911 ( -1.540 -2.699 3.363) 4.579 1.934 ( 4.310 1.077 -3.941) 5.938 1.966 ( -6.583 5.464 4.041) 9.462 2.312 ( -3.375 -4.971 -4.134) 7.293 2.461 ( -3.010 -5.599 -2.668) 6.894 2.637 ( 0.058 -2.026 -9.154) 9.376 2.846 ( 1.003 2.200 2.487) 3.469 2.861 ( -3.448 3.121 1.325) 4.836 3.014 ( 1.397 3.523 -0.286) 3.800 3.168 ( 3.313 -1.057 0.841) 3.578 3.302 ( 4.283 3.857 -1.101) 5.868 3.733 ( -14.094 0.763 -5.787) 15.254 4.078 ( 2.685 3.631 12.297) 13.100 4.264 ( -5.650 2.810 2.138) 6.663 4.936 ( 17.578 -5.535 4.743) 19.029 5.878 ( 0.116 -0.214 0.008) 0.243 5.963 ( -2.124 3.299 3.297) 5.125 6.010 ( -6.224 1.784 1.377) 6.620 6.817 ( 7.241 -2.111 -3.731) 8.415 6.915 ( -2.468 -3.222 1.190) 4.229 6.951 ( -3.341 0.260 4.803) 5.856 7.028 ( -4.377 1.489 -0.670) 4.672 7.188 ( 1.475 -0.741 -3.089) 3.503 7.211 ( 2.209 -0.192 -2.010) 2.993 7.279 ( 1.150 -0.464 -2.679) 2.952 14.478 ( 2.505 -1.666 -1.613) 3.414 14.555 ( 2.842 2.574 -7.011) 7.991 14.996 ( -2.294 -2.514 -5.813) 6.736 15.041 ( 1.161 -1.375 0.321) 1.828 16.282 ( -1.654 2.766 -2.242) 3.926 16.334 ( 2.501 2.235 6.268) 7.109 16.697 ( -6.366 -3.250 5.993) 9.328 17.036 ( 4.519 -1.483 4.704) 6.689======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 230Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.896 ( -7.360 7.360 8.282) 13.301 0.963 ( -6.905 6.905 7.328) 12.209 1.649 ( 2.158 -2.158 4.297) 5.271 1.831 ( 1.967 -1.967 0.661) 2.859 1.909 ( -12.045 12.045 10.799) 20.169 2.126 ( 4.719 -4.719 -3.596) 7.581 2.158 ( 1.941 -1.941 -8.973) 9.384 2.356 ( 2.189 -2.189 -3.676) 4.806 2.618 ( -0.841 0.841 -10.173) 10.242 2.849 ( -2.897 2.897 2.449) 4.773 2.870 ( -1.790 1.790 2.308) 3.426 3.087 ( 2.458 -2.458 -2.974) 4.575 3.206 ( -0.249 0.249 2.508) 2.532 3.390 ( -0.481 0.481 -2.346) 2.443 3.568 ( -8.045 8.045 -4.895) 12.386 4.156 ( -1.316 1.316 11.545) 11.694 4.247 ( -3.760 3.760 7.425) 9.132 5.051 ( 12.523 -12.523 3.639) 18.080 5.882 ( 0.124 -0.124 -2.468) 2.474 5.884 ( -6.115 6.115 6.658) 10.914 6.074 ( -0.289 0.289 0.496) 0.643 6.781 ( -1.021 1.021 2.296) 2.712 6.917 ( -1.868 1.868 4.876) 5.546 6.928 ( 5.870 -5.870 -3.693) 9.086 6.991 ( -3.242 3.242 -1.928) 4.973 7.194 ( 0.965 -0.965 -3.112) 3.398 7.234 ( 1.357 -1.357 -2.484) 3.139 7.282 ( 0.428 -0.428 -2.572) 2.642 14.488 ( 2.346 -2.346 -1.655) 3.707 14.636 ( 0.268 -0.268 -9.470) 9.478 14.910 ( -0.257 0.257 -8.919) 8.927 15.041 ( 1.321 -1.321 1.079) 2.157 16.293 ( -2.239 2.239 -4.186) 5.248 16.472 ( -0.895 0.895 10.700) 10.775 16.516 ( -0.121 0.121 8.062) 8.064 17.068 ( 3.606 -3.606 4.942) 7.102======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 225Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.969 ( 0.000 -10.483 -6.185) 12.171 1.090 ( 0.000 -13.212 -8.394) 15.653 1.548 ( -0.000 6.765 -0.191) 6.768 1.880 ( 0.000 -13.109 -7.549) 15.127 1.942 ( -0.000 8.842 7.927) 11.875 1.945 ( 0.000 -1.735 -5.327) 5.603 2.371 ( -0.000 -2.508 5.320) 5.882 2.519 ( -0.000 -4.635 4.158) 6.227 2.649 ( -0.000 -7.080 12.003) 13.936 2.821 ( 0.000 3.742 -2.289) 4.387 2.841 ( 0.000 -0.343 -2.083) 2.111 2.960 ( 0.000 2.408 -4.347) 4.970 3.211 ( -0.000 2.615 3.071) 4.034 3.238 ( -0.000 6.215 -1.595) 6.417 3.728 ( 0.000 -14.693 6.430) 16.039 4.040 ( 0.000 3.707 -14.477) 14.944 4.236 ( 0.000 -5.642 -1.675) 5.885 4.991 ( -0.000 19.090 -5.013) 19.737 5.903 ( 0.000 4.160 -6.834) 8.000 5.905 ( -0.000 -3.145 4.720) 5.672 5.993 ( 0.000 -9.645 -2.156) 9.883 6.837 ( -0.000 7.738 3.832) 8.635 6.948 ( 0.000 -3.670 -4.905) 6.126 6.962 ( 0.000 -2.397 -0.423) 2.434 6.999 ( 0.000 -5.814 -0.636) 5.849 7.197 ( -0.000 1.535 3.769) 4.070 7.210 ( -0.000 2.143 1.561) 2.652 7.283 ( -0.000 1.134 2.974) 3.183 14.510 ( -0.000 3.148 3.575) 4.764 14.513 ( -0.000 2.290 4.963) 5.466 15.025 ( -0.000 -0.813 2.285) 2.425 15.053 ( -0.000 -0.601 4.123) 4.167 16.253 ( 0.000 -1.029 -0.442) 1.120 16.313 ( 0.000 1.733 -4.370) 4.701 16.731 ( 0.000 -6.395 -4.852) 8.028 17.050 ( 0.000 4.893 -5.966) 7.716======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 405Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.799 ( 2.898 -10.080 -8.947) 13.786 0.861 ( 3.220 -9.742 -9.958) 14.298 1.666 ( 0.136 4.029 -3.485) 5.329 1.687 ( 9.050 -13.710 -15.509) 22.592 1.895 ( -3.588 0.646 -1.353) 3.888 2.125 ( 0.581 8.218 8.041) 11.512 2.264 ( -4.444 -1.849 7.845) 9.204 2.401 ( -2.126 -3.393 4.704) 6.177 2.542 ( 5.418 -7.760 12.674) 15.818 2.816 ( 0.099 -2.184 -3.156) 3.839 2.868 ( -0.229 1.644 -1.220) 2.060 3.087 ( 2.292 4.595 2.434) 5.682 3.224 ( -2.440 2.440 -1.725) 3.858 3.364 ( 1.786 2.133 0.578) 2.841 3.470 ( 2.448 -11.869 4.451) 12.910 4.127 ( 1.431 2.193 -14.873) 15.102 4.193 ( 1.700 -1.987 -9.480) 9.834 5.256 ( -7.993 14.678 -3.592) 17.095 5.784 ( 3.924 -7.898 -5.083) 10.179 5.907 ( -2.176 1.166 2.785) 3.722 6.040 ( 2.942 2.610 -1.444) 4.190 6.785 ( -1.461 -4.777 -1.902) 5.345 6.889 ( 1.005 -2.841 -4.998) 5.836 6.922 ( 3.510 -5.271 1.303) 6.466 7.019 ( -3.072 6.447 3.222) 7.835 7.211 ( -0.756 0.894 3.561) 3.748 7.248 ( -0.070 1.503 2.622) 3.023 7.288 ( -0.300 -0.118 3.088) 3.104 14.532 ( -1.974 2.770 4.214) 5.415 14.614 ( 2.050 2.987 7.430) 8.266 14.940 ( -2.906 -3.018 8.936) 9.869 15.046 ( 0.894 -0.829 3.742) 3.936 16.262 ( 0.929 -0.248 -0.502) 1.084 16.395 ( 3.665 3.369 -9.620) 10.832 16.577 ( -3.013 -5.822 -7.517) 9.974 17.130 ( -2.549 5.162 -7.206) 9.223======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 405Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.202 ( 9.854 2.929 -2.754) 10.643 1.328 ( 12.481 -0.862 -6.507) 14.102 1.421 ( -6.626 1.040 1.498) 6.873 1.724 ( -11.407 -1.079 9.026) 14.586 1.970 ( 2.954 -1.962 -6.525) 7.427 2.098 ( 2.000 0.508 2.244) 3.049 2.406 ( 4.795 -3.405 -1.751) 6.136 2.517 ( 0.361 -8.813 0.885) 8.864 2.584 ( 0.169 -2.443 0.832) 2.587 2.763 ( -6.379 4.247 2.431) 8.040 2.975 ( 5.222 2.581 -1.145) 5.936 3.044 ( 4.137 5.458 -3.312) 7.607 3.092 ( -4.532 0.612 0.322) 4.585 3.209 ( -4.516 4.200 3.198) 6.947 3.977 ( 7.671 1.169 0.836) 7.804 4.030 ( 0.044 3.835 -2.330) 4.487 4.426 ( 10.426 0.656 2.186) 10.673 4.597 ( -15.455 -1.668 -4.456) 16.170 5.851 ( -2.395 2.105 -6.776) 7.489 5.961 ( 1.197 2.329 8.017) 8.434 6.238 ( 13.170 -0.532 -6.335) 14.624 6.610 ( -12.086 -1.309 5.888) 13.508 6.992 ( 3.686 -3.129 -2.290) 5.350 7.015 ( 2.963 -0.534 -4.293) 5.244 7.085 ( 0.465 -0.753 0.840) 1.220 7.156 ( -2.032 -0.160 3.422) 3.983 7.172 ( -0.445 0.210 -0.613) 0.786 7.243 ( -2.456 -0.370 2.139) 3.277 14.439 ( -1.409 -1.245 -0.857) 2.067 14.508 ( -1.945 2.257 5.638) 6.376 14.993 ( -2.668 -2.581 -4.963) 6.197 15.035 ( 0.607 -1.130 2.781) 3.062 16.287 ( -1.117 0.978 -3.589) 3.884 16.340 ( 3.003 3.324 6.278) 7.713 16.822 ( 6.276 -3.345 -4.355) 8.339 16.952 ( -3.914 -1.028 -1.404) 4.283======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 405Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.325 ( -5.929 2.912 3.450) 7.452 1.424 ( -1.577 2.822 3.075) 4.462 1.503 ( -1.795 1.493 5.735) 6.192 1.587 ( 12.656 1.295 -5.211) 13.748 1.973 ( -2.432 -3.402 -2.246) 4.747 2.015 ( 0.604 -3.507 -0.704) 3.627 2.214 ( -4.283 -9.720 -5.778) 12.091 2.333 ( -0.034 -9.259 2.464) 9.582 2.741 ( -1.745 5.295 3.175) 6.416 2.771 ( 4.706 4.150 -0.601) 6.303 3.020 ( -1.902 -0.176 -1.424) 2.382 3.038 ( -3.087 1.993 1.139) 3.847 3.233 ( 0.518 6.385 -1.682) 6.623 3.265 ( 0.907 4.186 -0.314) 4.294 3.944 ( -12.582 2.105 -3.951) 13.355 4.203 ( 7.324 3.694 1.669) 8.371 4.387 ( -2.050 2.452 -2.362) 3.974 4.675 ( 11.035 -2.855 10.079) 15.216 5.861 ( -3.003 3.602 -6.844) 8.297 6.067 ( 3.244 3.616 7.895) 9.270 6.358 ( -9.099 -0.248 4.657) 10.225 6.452 ( 9.850 -2.911 -4.737) 11.311 6.969 ( -3.059 -3.129 1.533) 4.637 6.981 ( 1.492 -3.424 -2.274) 4.373 7.063 ( 0.509 -0.858 -4.090) 4.210 7.110 ( -1.430 0.110 2.789) 3.136 7.190 ( -1.515 -0.233 0.406) 1.586 7.206 ( 1.278 0.024 -1.174) 1.736 14.411 ( 0.260 -0.594 -6.439) 6.472 14.520 ( -1.344 2.145 6.629) 7.096 14.862 ( -3.703 -3.015 -7.524) 8.911 15.032 ( 0.968 -0.959 2.706) 3.030 16.282 ( -1.502 1.364 -4.440) 4.882 16.493 ( 4.108 4.442 8.417) 10.366 16.806 ( -1.991 -3.412 -1.159) 4.117 16.898 ( 4.433 -4.194 1.482) 6.280======================= 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 8.58e-05 8.58e-05 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 ( -4.177 4.177 4.663) 7.526 1.330 ( -7.167 7.167 7.334) 12.511 1.657 ( 1.398 -1.398 4.274) 4.709 1.803 ( 0.020 -0.020 -0.602) 0.603 1.826 ( 5.530 -5.530 -2.254) 8.139 1.942 ( 1.493 -1.493 -6.902) 7.218 2.084 ( 4.153 -4.153 -8.881) 10.647 2.205 ( 4.300 -4.300 3.169) 6.857 2.768 ( -6.008 6.008 10.531) 13.531 2.888 ( 2.778 -2.778 -4.929) 6.303 2.985 ( -2.402 2.402 -1.055) 3.557 3.029 ( -2.727 2.727 1.256) 4.056 3.308 ( -3.647 3.647 1.135) 5.281 3.323 ( 0.033 -0.033 -4.851) 4.851 3.798 ( -7.898 7.898 -7.037) 13.202 4.376 ( -1.149 1.149 5.857) 6.078 4.381 ( -0.693 0.693 -3.174) 3.322 4.748 ( 8.494 -8.494 12.792) 17.548 5.867 ( -3.467 3.467 -6.133) 7.852 6.156 ( -0.244 0.244 6.847) 6.855 6.253 ( -5.108 5.108 6.403) 9.653 6.530 ( 7.372 -7.372 -6.409) 12.238 6.884 ( -0.405 0.405 2.712) 2.771 6.957 ( 1.906 -1.906 -2.972) 4.013 7.049 ( -0.402 0.402 -1.551) 1.652 7.106 ( 0.206 -0.206 -0.304) 0.421 7.172 ( -0.066 0.066 -0.055) 0.108 7.219 ( 0.644 -0.644 -1.370) 1.645 14.412 ( 0.649 -0.649 -9.393) 9.438 14.531 ( -1.387 1.387 6.550) 6.837 14.784 ( -0.704 0.704 -6.534) 6.609 15.032 ( 0.975 -0.975 2.621) 2.962 16.281 ( -1.525 1.525 -4.826) 5.286 16.634 ( 0.128 -0.128 2.328) 2.335 16.693 ( -0.685 0.685 9.155) 9.206 16.905 ( 6.022 -6.022 -0.222) 8.519======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 230Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.391 ( 0.000 -11.095 -9.133) 14.370 0.409 ( 0.000 -12.427 -9.299) 15.521 0.849 ( 0.000 -19.252 -23.485) 30.367 1.667 ( 0.000 1.786 -3.323) 3.773 1.974 ( -0.000 4.268 -1.107) 4.409 2.385 ( -0.000 1.403 8.062) 8.183 2.416 ( -0.000 -4.767 4.886) 6.826 2.482 ( -0.000 -1.272 10.409) 10.486 2.523 ( -0.000 -4.536 7.531) 8.792 2.786 ( -0.000 4.994 -1.607) 5.246 2.906 ( -0.000 0.205 3.488) 3.494 3.169 ( -0.000 -3.460 5.245) 6.284 3.257 ( 0.000 0.226 -2.211) 2.222 3.282 ( 0.000 -7.571 -0.584) 7.594 3.397 ( 0.000 8.437 -5.315) 9.972 3.856 ( 0.000 1.489 -13.894) 13.973 3.908 ( 0.000 -2.823 -12.696) 13.006 5.551 ( 0.000 -4.335 -1.805) 4.696 5.553 ( -0.000 10.272 -1.778) 10.425 5.982 ( 0.000 3.599 -2.906) 4.626 6.102 ( -0.000 1.361 5.380) 5.550 6.684 ( 0.000 -5.205 -1.113) 5.323 6.731 ( 0.000 -3.097 -3.377) 4.582 6.754 ( 0.000 -6.634 2.129) 6.968 7.192 ( -0.000 3.334 1.395) 3.614 7.288 ( -0.000 0.389 2.108) 2.144 7.318 ( -0.000 1.040 2.117) 2.358 7.335 ( -0.000 -0.492 2.101) 2.158 14.722 ( -0.000 1.893 5.145) 5.482 14.762 ( -0.000 3.247 4.405) 5.472 15.084 ( -0.000 0.312 6.179) 6.187 15.119 ( -0.000 -1.407 6.520) 6.670 16.208 ( 0.000 0.502 -3.727) 3.760 16.256 ( 0.000 -1.971 -2.446) 3.141 16.352 ( 0.000 -5.537 -6.266) 8.362 17.097 ( 0.000 10.322 -14.549) 17.838======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 406Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.665 ( 13.322 2.292 -5.183) 14.477 0.716 ( 11.916 5.599 -5.056) 14.103 1.414 ( 20.722 12.421 -11.843) 26.906 1.608 ( -2.845 -1.047 -2.594) 3.990 1.864 ( -2.906 -2.710 -1.486) 4.242 2.270 ( -7.892 -1.487 7.077) 10.704 2.416 ( -0.551 -6.514 7.456) 9.916 2.488 ( 2.005 -2.133 4.488) 5.358 2.723 ( 3.906 3.811 -0.405) 5.472 2.742 ( 4.614 3.618 -0.304) 5.871 2.896 ( -5.317 -3.101 5.650) 8.355 3.088 ( -4.516 3.039 -2.592) 6.029 3.182 ( -1.121 -3.735 -1.594) 4.213 3.363 ( -1.270 3.700 -0.363) 3.929 3.587 ( 13.756 3.096 7.951) 16.188 3.870 ( -0.583 4.737 -11.708) 12.643 4.007 ( 7.484 1.623 -10.289) 12.826 5.207 ( -15.412 -7.227 -1.575) 17.095 5.703 ( 7.433 2.545 -3.231) 8.495 5.890 ( -3.606 -0.656 -2.227) 4.289 6.104 ( -0.535 1.911 5.425) 5.777 6.751 ( 5.141 -2.380 -1.428) 5.842 6.798 ( 2.944 1.036 -4.337) 5.343 6.945 ( 4.678 4.148 1.269) 6.380 7.068 ( -6.237 -2.779 1.910) 7.090 7.267 ( -1.130 -0.837 2.349) 2.738 7.288 ( -1.872 -0.293 1.442) 2.381 7.335 ( -0.231 -0.571 1.764) 1.868 14.608 ( -4.493 -3.804 3.598) 6.899 14.754 ( -2.504 3.921 6.761) 8.207 15.042 ( -3.387 -2.363 -1.631) 4.440 15.089 ( -0.136 -1.720 4.206) 4.546 16.243 ( -0.113 1.823 -4.249) 4.625 16.334 ( 2.851 3.175 5.340) 6.836 16.435 ( 6.565 -3.159 -5.870) 9.356 16.958 ( -2.613 -0.385 -10.983) 11.296======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 406Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.978 ( 12.557 3.897 -4.187) 13.799 1.074 ( 10.624 7.928 -0.800) 13.280 1.528 ( -2.834 -0.987 -1.676) 3.437 1.782 ( 0.030 -2.679 -2.645) 3.765 2.008 ( 8.032 6.604 -2.340) 10.659 2.044 ( -4.492 0.800 1.303) 4.745 2.256 ( -0.054 -7.124 1.938) 7.384 2.388 ( -3.462 -5.805 4.464) 8.100 2.608 ( -8.228 -8.555 1.157) 11.926 2.844 ( 2.752 4.497 -3.971) 6.600 2.960 ( 3.975 4.116 1.566) 5.933 3.095 ( -0.791 -0.879 1.984) 2.310 3.159 ( -0.066 3.362 -1.731) 3.782 3.414 ( -1.726 4.806 1.544) 5.335 3.877 ( 9.588 4.096 5.610) 11.840 4.041 ( 3.651 7.588 -4.226) 9.422 4.231 ( 7.588 1.994 -7.799) 11.062 4.780 ( -11.053 -5.054 1.841) 12.293 5.849 ( -1.511 1.899 -2.846) 3.740 5.902 ( 7.933 1.395 -5.321) 9.654 6.151 ( 0.585 2.911 5.861) 6.570 6.786 ( 2.613 -2.651 -1.004) 3.855 6.856 ( -6.826 -4.042 1.967) 8.173 6.871 ( 2.331 0.551 -4.221) 4.853 7.072 ( 2.042 1.315 0.785) 2.553 7.204 ( -2.473 -1.514 1.242) 3.154 7.240 ( -1.705 -0.889 1.685) 2.557 7.295 ( -1.805 -1.400 1.078) 2.526 14.435 ( -4.334 -4.362 0.088) 6.150 14.789 ( -2.418 4.220 8.861) 10.108 14.894 ( -4.199 -3.621 -5.218) 7.614 15.069 ( 0.137 -0.805 4.352) 4.428 16.258 ( -1.697 1.647 -4.597) 5.170 16.397 ( 4.341 -3.432 -7.299) 9.160 16.561 ( 6.143 2.526 7.542) 10.050 16.933 ( -0.868 0.157 -4.684) 4.767======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 406Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.312 ( 11.822 5.875 -3.128) 13.567 1.403 ( 5.161 4.779 -0.749) 7.074 1.495 ( 2.119 3.301 1.115) 4.078 1.753 ( -0.131 -2.099 -2.783) 3.488 1.779 ( -5.599 -3.349 1.783) 6.764 1.989 ( -6.126 -7.774 -0.567) 9.914 2.153 ( -9.387 -4.884 2.722) 10.926 2.270 ( -1.610 -8.542 5.885) 10.497 2.535 ( 9.118 5.426 -6.658) 12.527 2.990 ( 1.863 5.069 0.534) 5.427 3.033 ( -0.145 0.815 -0.314) 0.885 3.080 ( 0.539 -0.233 1.535) 1.644 3.209 ( -0.012 1.234 -3.372) 3.590 3.491 ( -1.809 5.914 3.207) 6.966 3.939 ( -5.382 -7.044 -6.868) 11.214 4.241 ( 2.637 10.075 -0.425) 10.424 4.361 ( 6.060 2.189 -0.980) 6.518 4.751 ( 4.138 2.684 10.519) 11.618 5.879 ( -1.268 3.162 -3.885) 5.168 6.045 ( 6.404 -1.584 -7.862) 10.263 6.245 ( 1.952 3.814 6.661) 7.920 6.625 ( -6.398 -2.710 4.023) 8.028 6.800 ( 2.573 -3.028 -2.258) 4.571 6.911 ( 1.345 -0.254 -4.398) 4.606 7.027 ( -3.283 -3.164 1.244) 4.727 7.179 ( 0.454 0.433 -0.024) 0.628 7.193 ( -1.324 -0.526 1.989) 2.446 7.224 ( -2.064 -1.342 0.342) 2.485 14.290 ( -2.467 -3.195 -4.044) 5.714 14.762 ( -2.712 -1.954 -3.874) 5.116 14.822 ( -2.794 3.764 10.059) 11.097 15.060 ( 0.382 -0.653 3.667) 3.744 16.248 ( -1.950 1.286 -5.590) 6.059 16.409 ( 4.930 -4.452 -9.227) 11.369 16.721 ( 4.513 2.701 8.175) 9.721 16.907 ( -1.212 -1.022 0.504) 1.664======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 230Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.427 ( -0.472 0.472 -1.488) 1.631 1.622 ( 2.212 -2.212 -0.729) 3.212 1.652 ( -2.843 2.843 2.535) 4.753 1.711 ( 1.447 -1.447 -3.629) 4.166 1.713 ( 0.313 -0.313 3.153) 3.184 1.763 ( 2.933 -2.933 -4.315) 5.986 1.919 ( -2.976 2.976 1.181) 4.372 2.156 ( 3.224 -3.224 6.650) 8.063 2.697 ( 1.425 -1.425 -4.863) 5.264 3.033 ( -0.849 0.849 -0.889) 1.494 3.055 ( -0.707 0.707 4.433) 4.544 3.108 ( -1.134 1.134 1.019) 1.900 3.217 ( 0.270 -0.270 -4.347) 4.364 3.539 ( -3.657 3.657 3.724) 6.373 3.757 ( -0.715 0.715 -12.359) 12.400 4.400 ( -1.912 1.912 -0.009) 2.704 4.455 ( 0.036 -0.036 1.057) 1.058 4.828 ( 1.903 -1.903 14.308) 14.559 5.900 ( -2.449 2.449 -4.064) 5.340 6.088 ( 4.179 -4.179 -9.551) 11.232 6.321 ( -0.904 0.904 6.922) 7.039 6.531 ( -1.664 1.664 4.308) 4.909 6.793 ( 2.682 -2.682 -2.188) 4.379 6.927 ( 0.702 -0.702 -5.350) 5.442 6.934 ( -0.054 0.054 1.791) 1.792 7.173 ( -0.522 0.522 1.948) 2.083 7.187 ( -0.283 0.283 0.143) 0.425 7.192 ( 0.145 -0.145 -0.038) 0.209 14.232 ( 0.501 -0.501 -5.922) 5.964 14.714 ( -0.385 0.385 -3.432) 3.475 14.833 ( -3.312 3.312 11.027) 11.981 15.057 ( 0.566 -0.566 3.434) 3.526 16.241 ( -1.432 1.432 -6.169) 6.493 16.414 ( 4.587 -4.587 -9.221) 11.274 16.826 ( 1.152 -1.152 4.705) 4.979 16.851 ( -0.292 0.292 5.367) 5.382======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.302 ( -0.000 15.353 -0.000) 15.353 0.310 ( -0.000 15.884 -0.000) 15.884 0.581 ( -0.000 29.368 -0.000) 29.368 1.634 ( 0.000 -1.538 0.000) 1.538 1.962 ( 0.000 -4.157 0.000) 4.157 2.465 ( -0.000 4.162 -0.000) 4.162 2.515 ( 0.000 -4.257 0.000) 4.257 2.574 ( -0.000 1.854 -0.000) 1.854 2.592 ( -0.000 3.781 -0.000) 3.781 2.800 ( 0.000 -9.815 0.000) 9.815 2.962 ( -0.000 0.691 -0.000) 0.691 3.157 ( 0.000 -5.278 0.000) 5.278 3.229 ( 0.000 -0.043 0.000) 0.043 3.284 ( -0.000 0.903 -0.000) 0.903 3.334 ( -0.000 16.702 -0.000) 16.702 3.709 ( 0.000 -1.375 0.000) 1.375 3.750 ( -0.000 2.945 -0.000) 2.945 5.534 ( -0.000 4.113 -0.000) 4.113 5.536 ( 0.000 -10.432 0.000) 10.432 5.954 ( 0.000 -3.819 0.000) 3.819 6.165 ( 0.000 -0.714 0.000) 0.714 6.672 ( -0.000 5.352 -0.000) 5.352 6.686 ( -0.000 2.008 -0.000) 2.008 6.829 ( -0.000 2.620 -0.000) 2.620 7.205 ( 0.000 -3.170 0.000) 3.170 7.308 ( 0.000 -0.333 0.000) 0.333 7.339 ( 0.000 -1.167 0.000) 1.167 7.355 ( -0.000 0.369 -0.000) 0.369 14.774 ( 0.000 -1.730 0.000) 1.730 14.806 ( 0.000 -2.573 0.000) 2.573 15.145 ( 0.000 -2.870 0.000) 2.870 15.151 ( 0.000 -2.326 0.000) 2.326 16.171 ( -0.000 3.378 -0.000) 3.378 16.288 ( -0.000 3.497 -0.000) 3.497 16.388 ( -0.000 0.516 -0.000) 0.516 16.753 ( -0.000 0.713 -0.000) 0.713======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.614 ( 1.386 14.734 -0.000) 14.799 0.672 ( 7.212 13.229 0.000) 15.067 1.295 ( 13.914 23.610 0.000) 27.405 1.582 ( -1.367 -2.139 -0.000) 2.539 1.849 ( -2.521 -3.563 -0.000) 4.364 2.350 ( -3.908 -7.829 -0.000) 8.750 2.492 ( -7.556 -1.901 -0.000) 7.792 2.567 ( -2.482 -0.029 -0.000) 2.482 2.636 ( 2.913 1.925 0.000) 3.491 2.760 ( 5.138 4.802 0.000) 7.032 2.964 ( -5.721 -7.434 -0.000) 9.380 3.067 ( 5.095 -0.203 0.000) 5.099 3.169 ( -2.803 -1.078 -0.000) 3.003 3.358 ( 4.730 -0.500 0.000) 4.757 3.729 ( 5.225 -0.425 0.000) 5.242 3.730 ( 5.384 16.636 0.000) 17.486 3.858 ( 0.858 8.076 -0.000) 8.121 5.194 ( -6.593 -15.621 -0.000) 16.955 5.672 ( 1.839 7.217 0.000) 7.448 5.867 ( -0.032 -4.249 0.000) 4.249 6.166 ( 1.409 -0.211 0.000) 1.425 6.737 ( -2.797 5.266 -0.000) 5.962 6.751 ( 1.043 3.018 0.000) 3.193 6.960 ( 4.037 3.682 0.000) 5.464 7.086 ( -2.668 -6.089 -0.000) 6.648 7.292 ( -0.508 -0.832 -0.000) 0.975 7.299 ( -0.755 -2.342 -0.000) 2.461 7.351 ( -0.642 -0.421 -0.000) 0.768 14.646 ( -4.618 -4.912 -0.000) 6.742 14.828 ( 4.600 -1.828 0.000) 4.950 15.004 ( -4.127 -4.744 -0.000) 6.288 15.129 ( 1.640 -2.958 0.000) 3.382 16.220 ( -2.638 4.949 -0.000) 5.608 16.310 ( -3.571 1.600 -0.000) 3.913 16.489 ( 4.923 4.464 0.000) 6.646 16.799 ( 2.120 1.096 0.000) 2.387======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.937 ( 3.946 13.039 0.000) 13.623 1.069 ( 8.571 11.195 0.000) 14.099 1.512 ( -1.801 -1.398 -0.000) 2.280 1.755 ( -2.067 -1.215 -0.000) 2.398 1.960 ( 12.457 15.926 0.000) 20.219 2.079 ( -5.872 -9.086 -0.000) 10.818 2.274 ( -8.438 -2.148 -0.000) 8.708 2.444 ( -4.294 -6.066 -0.000) 7.433 2.617 ( -9.012 -7.696 -0.000) 11.851 2.792 ( 5.504 3.720 0.000) 6.643 2.978 ( 3.952 2.442 0.000) 4.646 3.112 ( -1.346 -0.370 -0.000) 1.396 3.146 ( 2.548 0.426 0.000) 2.583 3.429 ( 5.107 -1.108 0.000) 5.226 3.926 ( 11.478 3.268 0.000) 11.934 4.063 ( -0.764 6.899 -0.000) 6.941 4.095 ( 3.101 11.131 0.000) 11.555 4.805 ( -2.323 -9.092 -0.000) 9.384 5.821 ( 1.944 -2.172 0.000) 2.915 5.848 ( 0.417 7.733 -0.000) 7.744 6.214 ( 2.909 0.907 0.000) 3.047 6.772 ( -2.746 3.755 -0.000) 4.652 6.824 ( 0.560 2.452 -0.000) 2.515 6.879 ( -4.128 -7.694 -0.000) 8.732 7.079 ( 1.729 1.915 0.000) 2.580 7.217 ( -1.805 -3.099 -0.000) 3.587 7.256 ( -0.892 -1.398 -0.000) 1.658 7.305 ( -1.557 -2.042 -0.000) 2.568 14.439 ( -5.605 -5.327 -0.000) 7.733 14.837 ( -3.468 -4.097 -0.000) 5.368 14.889 ( 4.592 -1.448 0.000) 4.814 15.102 ( 1.693 -2.989 0.000) 3.435 16.257 ( -3.963 1.039 -0.000) 4.097 16.265 ( -2.399 4.549 -0.000) 5.143 16.678 ( 4.092 4.927 0.000) 6.405 16.858 ( 1.704 0.807 0.000) 1.885======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.282 ( 6.063 12.220 0.000) 13.642 1.394 ( 2.658 4.690 0.000) 5.391 1.510 ( 4.284 4.762 0.000) 6.405 1.717 ( -1.176 0.221 -0.000) 1.196 1.803 ( -4.530 -6.897 -0.000) 8.252 1.983 ( -8.546 -6.427 -0.000) 10.693 2.181 ( -3.658 -11.911 -0.000) 12.460 2.336 ( -8.609 -2.151 -0.000) 8.874 2.466 ( 6.319 11.252 0.000) 12.905 2.986 ( 6.134 4.139 0.000) 7.400 3.031 ( 0.739 -0.764 0.000) 1.063 3.096 ( -0.365 0.120 -0.000) 0.384 3.175 ( 0.447 -0.312 0.000) 0.545 3.524 ( 6.369 -1.652 0.000) 6.580 3.870 ( -9.678 -8.498 -0.000) 12.879 4.236 ( 10.645 3.974 0.000) 11.363 4.355 ( 2.894 7.900 0.000) 8.413 4.861 ( 4.971 5.010 0.000) 7.057 5.842 ( 3.135 -1.487 0.000) 3.469 5.962 ( -3.026 6.159 -0.000) 6.862 6.315 ( 4.068 2.007 0.000) 4.536 6.663 ( -2.725 -6.205 -0.000) 6.777 6.778 ( -3.053 2.734 -0.000) 4.098 6.862 ( -0.469 1.318 -0.000) 1.399 7.040 ( -3.095 -3.491 -0.000) 4.665 7.179 ( 0.556 0.344 0.000) 0.654 7.212 ( -0.562 -1.249 -0.000) 1.370 7.227 ( -1.430 -2.287 -0.000) 2.697 14.252 ( -4.130 -3.243 -0.000) 5.251 14.722 ( -1.665 -2.416 -0.000) 2.934 14.941 ( 3.744 -1.762 0.000) 4.138 15.082 ( 2.005 -2.735 0.000) 3.391 16.208 ( -3.538 1.653 -0.000) 3.905 16.299 ( -2.416 3.647 -0.000) 4.375 16.819 ( 1.697 3.411 0.000) 3.810 16.893 ( 0.884 0.193 0.000) 0.905======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.415 ( -1.697 1.697 -0.000) 2.400 1.615 ( -2.159 2.159 -0.000) 3.053 1.676 ( -0.548 0.548 -0.000) 0.775 1.679 ( 0.589 -0.589 0.000) 0.832 1.717 ( -1.423 1.423 -0.000) 2.012 1.746 ( -0.163 0.163 -0.000) 0.230 1.929 ( 4.451 -4.451 0.000) 6.295 2.226 ( -2.646 2.646 -0.000) 3.743 2.649 ( -1.722 1.722 -0.000) 2.435 3.024 ( 0.820 -0.820 0.000) 1.160 3.094 ( -0.217 0.217 -0.000) 0.306 3.120 ( 1.700 -1.700 0.000) 2.405 3.176 ( -0.445 0.445 -0.000) 0.629 3.575 ( 4.307 -4.307 0.000) 6.091 3.634 ( -0.113 0.113 -0.000) 0.160 4.400 ( 1.793 -1.793 0.000) 2.535 4.466 ( -0.513 0.513 -0.000) 0.725 4.978 ( -0.779 0.779 -0.000) 1.101 5.861 ( 2.456 -2.456 0.000) 3.473 5.984 ( -4.945 4.945 -0.000) 6.994 6.395 ( 1.130 -1.130 0.000) 1.598 6.572 ( 1.560 -1.560 0.000) 2.206 6.772 ( -2.789 2.789 -0.000) 3.944 6.867 ( -0.843 0.843 -0.000) 1.192 6.951 ( 0.150 -0.150 0.000) 0.213 7.186 ( 0.484 -0.484 0.000) 0.684 7.191 ( -0.019 0.019 -0.000) 0.026 7.194 ( 0.367 -0.367 0.000) 0.519 14.176 ( -0.563 0.563 -0.000) 0.796 14.682 ( 0.415 -0.415 0.000) 0.587 14.961 ( 2.640 -2.640 0.000) 3.734 15.075 ( 2.381 -2.381 0.000) 3.367 16.189 ( -2.645 2.645 -0.000) 3.741 16.311 ( -2.863 2.863 -0.000) 4.048 16.870 ( -1.031 1.031 -0.000) 1.459 16.903 ( 0.311 -0.311 0.000) 0.440======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 230Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.893 ( -0.000 12.943 2.191) 13.127 0.965 ( -0.000 14.400 4.711) 15.152 1.550 ( 0.000 -3.812 -0.322) 3.826 1.720 ( -0.000 21.133 7.356) 22.377 1.854 ( -0.000 -0.761 4.022) 4.094 2.116 ( 0.000 -9.166 -9.305) 13.062 2.477 ( 0.000 -2.131 -5.241) 5.658 2.592 ( 0.000 3.633 -3.449) 5.009 2.725 ( -0.000 -0.599 7.621) 7.644 2.795 ( -0.000 4.035 1.701) 4.378 2.881 ( 0.000 1.852 -11.033) 11.188 2.890 ( 0.000 -9.470 2.665) 9.838 3.215 ( 0.000 -4.948 0.742) 5.004 3.241 ( 0.000 -0.620 0.089) 0.626 3.792 ( -0.000 -0.440 11.142) 11.150 3.873 ( 0.000 15.376 -8.738) 17.686 4.172 ( -0.000 11.882 5.288) 13.006 4.913 ( 0.000 -20.308 3.034) 20.534 5.800 ( -0.000 -4.710 3.909) 6.121 5.879 ( -0.000 11.947 2.766) 12.263 6.081 ( 0.000 0.626 -6.346) 6.377 6.859 ( -0.000 3.854 4.174) 5.681 6.893 ( 0.000 -0.599 -1.842) 1.937 6.957 ( 0.000 -3.794 -0.044) 3.795 6.984 ( -0.000 4.770 0.695) 4.820 7.239 ( 0.000 -2.999 -1.219) 3.237 7.254 ( 0.000 -1.545 -2.187) 2.678 7.326 ( 0.000 -1.513 -1.518) 2.143 14.593 ( 0.000 -4.472 -4.715) 6.498 14.609 ( 0.000 -3.253 -4.921) 5.899 15.014 ( -0.000 -3.251 2.733) 4.248 15.051 ( -0.000 -3.890 3.626) 5.318 16.300 ( 0.000 4.778 -4.909) 6.851 16.327 ( 0.000 1.598 -5.409) 5.640 16.621 ( -0.000 7.824 6.596) 10.234 16.908 ( -0.000 -1.925 8.752) 8.961======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 406Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.172 ( 3.855 11.026 0.779) 11.706 1.228 ( -0.473 13.598 3.715) 14.104 1.476 ( -0.007 -3.290 -3.572) 4.856 1.839 ( -1.575 -0.150 5.755) 5.969 1.898 ( -2.250 -9.271 -7.452) 12.106 2.101 ( 2.353 8.482 0.888) 8.847 2.388 ( -4.652 -1.521 -0.398) 4.910 2.501 ( -9.140 1.185 2.443) 9.535 2.616 ( -5.522 -5.199 -1.465) 7.725 2.773 ( 4.755 -0.522 1.866) 5.134 2.910 ( 7.677 -1.237 2.964) 8.321 3.055 ( 4.617 4.059 -3.375) 7.013 3.106 ( -0.492 -3.479 -0.558) 3.558 3.254 ( 3.234 -2.910 -1.144) 4.498 3.879 ( 6.008 3.528 4.839) 8.483 4.137 ( -1.042 9.447 -7.048) 11.832 4.370 ( -4.411 -0.272 5.855) 7.335 4.593 ( 5.113 -1.716 -1.795) 5.684 5.745 ( 2.462 -3.189 4.092) 5.742 6.095 ( 0.865 5.851 -3.796) 7.029 6.149 ( -0.501 9.110 1.160) 9.197 6.706 ( -1.131 -11.173 -3.966) 11.910 6.928 ( -0.414 3.248 4.000) 5.169 6.954 ( -3.811 3.607 1.966) 5.604 7.086 ( 0.981 1.251 0.511) 1.670 7.169 ( -0.307 -2.619 -0.339) 2.659 7.212 ( -0.312 -2.364 -2.129) 3.196 7.273 ( -0.867 -2.867 -1.019) 3.164 14.443 ( -4.192 -3.362 -0.931) 5.453 14.628 ( 5.015 -3.241 -6.808) 9.055 14.879 ( -3.607 -4.482 5.904) 8.244 15.020 ( 2.772 -3.336 3.884) 5.822 16.295 ( -3.474 2.333 -4.321) 6.016 16.465 ( 3.087 4.007 -4.582) 6.825 16.731 ( -3.624 7.644 3.564) 9.179 16.901 ( 1.453 -0.473 4.142) 4.415======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 406Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.404 ( 1.958 0.865 -4.184) 4.700 1.474 ( 3.823 4.559 -3.052) 6.686 1.500 ( 2.185 11.951 2.703) 12.446 1.633 ( -1.403 -7.999 -5.539) 9.830 1.860 ( -1.004 1.779 6.717) 7.021 2.034 ( -6.863 -4.847 -0.781) 8.438 2.108 ( -8.400 -7.671 5.100) 12.466 2.390 ( -6.853 -2.566 -3.077) 7.938 2.671 ( 1.159 10.475 3.549) 11.120 2.876 ( 6.873 -1.205 -4.690) 8.408 2.993 ( 1.738 -1.215 1.735) 2.740 3.057 ( 2.678 -3.636 -0.838) 4.592 3.180 ( 2.972 2.001 2.290) 4.252 3.277 ( 5.764 -3.740 -0.561) 6.894 3.877 ( -3.828 -13.168 2.985) 14.034 4.176 ( 5.677 6.917 2.483) 9.286 4.416 ( 1.826 4.828 -3.209) 6.078 4.846 ( 1.158 11.068 -7.317) 13.319 5.756 ( 3.695 -2.584 4.059) 6.067 6.207 ( 3.272 2.737 -6.250) 7.567 6.303 ( -5.122 8.696 4.941) 11.237 6.496 ( 0.493 -7.064 -4.181) 8.224 6.930 ( -3.560 1.708 2.153) 4.497 6.961 ( -1.407 1.606 3.628) 4.210 7.013 ( -2.293 -3.887 -0.173) 4.516 7.160 ( 0.173 -2.132 -1.915) 2.871 7.179 ( 0.664 0.150 0.700) 0.976 7.204 ( -0.717 -1.650 -0.248) 1.816 14.318 ( -3.435 -1.369 3.395) 5.020 14.661 ( 4.685 -3.341 -8.021) 9.872 14.743 ( -1.867 -3.408 4.651) 6.060 15.015 ( 2.935 -3.023 4.291) 6.014 16.275 ( -2.971 2.179 -3.445) 5.044 16.559 ( -1.055 3.680 3.097) 4.924 16.799 ( -0.701 3.623 -3.342) 4.979 16.926 ( -1.633 2.820 -0.130) 3.262======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 230Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.418 ( 0.020 -0.020 -7.753) 7.753 1.468 ( 5.773 -5.773 -7.206) 10.889 1.723 ( -1.474 1.474 -2.579) 3.316 1.768 ( 1.780 -1.780 3.150) 4.032 1.789 ( -4.554 4.554 1.870) 6.706 1.824 ( -1.215 1.215 5.091) 5.373 1.907 ( -3.108 3.108 9.217) 10.211 2.277 ( -2.267 2.267 -3.711) 4.904 2.807 ( -4.040 4.040 3.178) 6.538 2.943 ( 4.926 -4.926 -7.568) 10.286 2.970 ( 2.196 -2.196 0.612) 3.165 3.053 ( 2.617 -2.617 -1.100) 3.862 3.235 ( -0.516 0.516 3.518) 3.593 3.317 ( 5.683 -5.683 0.627) 8.062 3.661 ( 4.431 -4.431 6.480) 9.014 4.347 ( 0.028 -0.028 0.739) 0.740 4.472 ( -1.107 1.107 -3.963) 4.261 4.972 ( -5.750 5.750 -9.846) 12.770 5.769 ( 3.212 -3.212 3.892) 5.982 6.285 ( 0.736 -0.736 -6.064) 6.153 6.294 ( -1.008 1.008 2.398) 2.790 6.469 ( -2.815 2.815 -0.675) 4.037 6.906 ( -1.801 1.801 2.180) 3.353 6.922 ( 0.764 -0.764 -1.242) 1.645 6.970 ( -1.292 1.292 4.566) 4.918 7.139 ( 1.071 -1.071 -1.913) 2.440 7.171 ( 0.333 -0.333 0.155) 0.495 7.198 ( -0.062 0.062 0.820) 0.825 14.269 ( -1.317 1.317 5.400) 5.713 14.677 ( 3.930 -3.930 -8.500) 10.155 14.687 ( 0.964 -0.964 3.680) 3.924 15.014 ( 2.940 -2.940 4.390) 6.047 16.267 ( -2.497 2.497 -3.073) 4.681 16.582 ( -3.211 3.211 6.384) 7.835 16.830 ( 0.750 -0.750 -5.250) 5.356 16.939 ( -4.860 4.860 -2.600) 7.349======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 225Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.264 ( 0.000 -7.311 -6.365) 9.693 1.354 ( -0.000 6.984 1.528) 7.149 1.529 ( 0.000 -9.351 -10.335) 13.938 1.578 ( -0.000 11.389 6.988) 13.362 2.009 ( -0.000 -0.592 6.792) 6.818 2.103 ( 0.000 -2.257 -5.036) 5.519 2.507 ( -0.000 -0.602 7.384) 7.409 2.518 ( 0.000 -8.398 -5.776) 10.192 2.576 ( 0.000 -4.880 1.675) 5.160 2.711 ( -0.000 5.806 -0.638) 5.841 2.903 ( -0.000 -2.856 4.601) 5.415 3.061 ( -0.000 1.385 3.978) 4.213 3.091 ( 0.000 -1.034 -1.614) 1.917 3.137 ( 0.000 5.802 -5.164) 7.767 3.876 ( 0.000 -7.683 3.265) 8.348 4.169 ( 0.000 7.905 -10.806) 13.389 4.307 ( -0.000 -10.482 7.417) 12.841 4.732 ( -0.000 17.845 -5.464) 18.662 5.785 ( -0.000 -1.361 7.298) 7.424 5.982 ( 0.000 2.832 -8.563) 9.019 6.362 ( 0.000 -13.859 -6.458) 15.290 6.517 ( -0.000 13.633 5.391) 14.660 7.050 ( 0.000 -2.785 -0.015) 2.785 7.064 ( -0.000 -0.673 1.495) 1.640 7.082 ( -0.000 1.451 3.981) 4.237 7.103 ( 0.000 -3.350 -3.390) 4.766 7.192 ( -0.000 2.078 2.936) 3.597 7.196 ( 0.000 -1.746 -1.789) 2.500 14.437 ( -0.000 -0.612 0.729) 0.952 14.459 ( 0.000 -0.147 -1.368) 1.376 14.987 ( -0.000 -2.637 6.037) 6.588 14.997 ( -0.000 -2.997 4.821) 5.677 16.291 ( 0.000 0.539 -3.205) 3.250 16.366 ( 0.000 4.319 -7.290) 8.474 16.878 ( 0.000 -4.201 0.451) 4.225 16.988 ( -0.000 6.864 0.323) 6.872======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 405Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.142 ( 2.134 -7.332 -9.117) 11.893 1.250 ( -0.759 -10.397 -9.735) 14.263 1.572 ( 1.604 7.331 -0.971) 7.566 1.799 ( 0.963 10.582 6.345) 12.376 1.963 ( -2.464 -4.181 2.255) 5.352 2.020 ( 0.845 -3.322 -1.157) 3.618 2.263 ( -5.576 -6.139 3.175) 8.881 2.424 ( -3.973 -5.181 1.388) 6.675 2.515 ( 6.066 -6.906 0.700) 9.218 2.856 ( 2.431 5.225 0.907) 5.833 2.894 ( 1.794 -2.125 -1.748) 3.285 3.007 ( -1.690 -1.327 0.380) 2.182 3.166 ( 2.671 3.075 1.329) 4.284 3.274 ( 1.671 3.686 2.141) 4.579 3.655 ( 0.873 -13.820 2.344) 14.045 4.258 ( 1.600 3.973 -1.654) 4.591 4.331 ( 2.108 3.649 -10.082) 10.927 5.040 ( -4.658 16.344 -5.873) 17.981 5.785 ( 0.678 -0.073 6.275) 6.312 6.072 ( 2.510 3.386 -7.380) 8.499 6.113 ( 1.979 -12.180 -6.431) 13.915 6.735 ( -2.638 10.655 4.428) 11.836 6.939 ( -2.172 -4.704 -0.985) 5.274 6.997 ( -0.208 -4.263 2.188) 4.796 7.034 ( 0.175 -3.266 -3.282) 4.633 7.116 ( -0.147 1.317 4.098) 4.307 7.188 ( -0.322 0.679 0.523) 0.916 7.224 ( 0.188 0.703 2.864) 2.955 14.430 ( -0.384 0.596 4.609) 4.663 14.483 ( 1.084 0.891 -0.713) 1.574 14.849 ( -3.607 -4.133 8.412) 10.043 14.994 ( 2.883 -2.765 5.629) 6.902 16.290 ( -1.493 1.268 -3.475) 3.989 16.496 ( 3.484 4.328 -9.041) 10.612 16.780 ( -1.682 -4.186 -2.817) 5.319 17.097 ( -2.972 7.015 -1.933) 7.860======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 225Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.065 ( 6.194 -6.194 -9.588) 12.987 1.144 ( 4.137 -4.137 -11.684) 13.067 1.727 ( -2.085 2.085 -3.767) 4.784 1.803 ( -0.198 0.198 4.627) 4.636 2.002 ( 0.240 -0.240 1.597) 1.633 2.003 ( -1.855 1.855 6.503) 7.012 2.094 ( 0.431 -0.431 2.196) 2.279 2.308 ( -0.485 0.485 1.300) 1.470 2.506 ( 8.090 -8.090 -1.216) 11.506 2.878 ( 2.254 -2.254 -0.880) 3.307 2.916 ( 1.346 -1.346 -2.414) 3.074 3.021 ( -2.895 2.895 3.584) 5.441 3.220 ( 0.730 -0.730 1.236) 1.611 3.336 ( -0.564 0.564 3.106) 3.206 3.497 ( 7.052 -7.052 3.132) 10.454 4.357 ( -0.428 0.428 -4.438) 4.479 4.377 ( -1.329 1.329 -11.431) 11.584 5.151 ( -11.187 11.187 -6.698) 17.180 5.793 ( 0.037 -0.037 5.545) 5.545 6.008 ( 7.033 -7.033 -6.261) 11.753 6.150 ( 0.007 -0.007 -6.126) 6.126 6.800 ( -2.896 2.896 1.298) 4.297 6.871 ( -2.510 2.510 1.294) 3.778 6.941 ( 2.633 -2.633 2.933) 4.740 7.000 ( 1.700 -1.700 -3.294) 4.078 7.127 ( -0.602 0.602 3.882) 3.974 7.194 ( -0.768 0.768 1.542) 1.887 7.231 ( 0.075 -0.075 2.623) 2.625 14.435 ( -0.520 0.520 6.063) 6.107 14.514 ( -0.455 0.455 0.967) 1.162 14.754 ( 0.766 -0.766 7.373) 7.452 14.995 ( 2.825 -2.825 5.711) 6.970 16.287 ( -1.518 1.518 -3.154) 3.816 16.635 ( 0.056 -0.056 -4.271) 4.272 16.662 ( 0.840 -0.840 -9.091) 9.169 17.138 ( -5.794 5.794 -2.771) 8.650======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 405Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.082 ( -11.211 4.351 6.360) 13.604 1.117 ( -8.711 5.016 4.583) 11.047 1.571 ( 5.502 0.985 2.691) 6.204 1.839 ( -2.525 -4.002 2.943) 5.573 1.933 ( 10.478 -0.825 -5.600) 11.909 2.096 ( -2.364 4.104 -0.130) 4.738 2.217 ( -6.759 -2.969 -1.473) 7.528 2.328 ( 0.242 -7.432 -1.506) 7.587 2.576 ( 3.341 -3.136 -0.940) 4.678 2.900 ( -1.103 3.172 1.672) 3.752 2.944 ( -4.683 4.336 0.132) 6.383 3.037 ( 1.377 -0.775 -4.018) 4.318 3.204 ( 0.489 3.607 2.435) 4.379 3.374 ( 2.186 3.289 -2.777) 4.828 3.774 ( -12.250 3.934 -4.949) 13.785 4.170 ( 0.153 5.384 8.471) 10.038 4.336 ( -5.255 4.227 2.738) 7.278 4.785 ( 14.005 -9.467 3.685) 17.301 5.894 ( -1.257 1.799 -0.409) 2.232 6.025 ( -6.642 3.233 6.759) 10.013 6.058 ( -0.067 2.676 -0.613) 2.746 6.756 ( 7.335 -4.148 -4.495) 9.551 6.854 ( -2.011 -2.629 2.143) 3.943 6.959 ( -2.316 0.588 4.616) 5.198 7.046 ( -2.059 0.267 -2.046) 2.915 7.174 ( 0.963 -0.604 -2.309) 2.574 7.199 ( 2.086 -1.042 -2.118) 3.150 7.266 ( 1.275 -0.859 -1.982) 2.509 14.445 ( 1.950 -1.682 1.284) 2.878 14.605 ( 2.422 2.253 -9.870) 10.410 14.944 ( -2.621 -2.368 -7.863) 8.619 14.999 ( 2.781 -2.768 4.514) 5.981 16.347 ( -3.192 3.561 -7.162) 8.612 16.402 ( 4.306 4.718 9.632) 11.557 16.613 ( -6.257 -5.050 8.019) 11.356 16.994 ( 3.895 -2.718 1.871) 5.105======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 230Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.771 ( 0.000 -9.706 -9.635) 13.676 0.835 ( 0.000 -12.619 -9.970) 16.082 1.586 ( 0.000 -15.106 -17.850) 23.384 1.668 ( -0.000 5.283 -2.559) 5.870 1.936 ( 0.000 1.069 -2.519) 2.737 2.119 ( -0.000 8.459 8.390) 11.914 2.311 ( -0.000 -3.843 10.817) 11.479 2.424 ( -0.000 -5.188 4.860) 7.109 2.473 ( -0.000 -9.088 11.469) 14.633 2.829 ( 0.000 -1.225 -4.139) 4.316 2.859 ( -0.000 0.991 -0.235) 1.018 3.055 ( -0.000 5.166 2.567) 5.768 3.260 ( -0.000 2.313 0.255) 2.327 3.339 ( -0.000 4.260 -1.173) 4.418 3.450 ( 0.000 -12.562 4.149) 13.230 4.111 ( 0.000 3.295 -16.737) 17.058 4.178 ( 0.000 -0.898 -9.521) 9.563 5.339 ( -0.000 16.101 -3.813) 16.546 5.741 ( 0.000 -9.305 -4.309) 10.254 5.951 ( -0.000 1.280 7.025) 7.140 5.986 ( 0.000 4.187 -6.001) 7.317 6.816 ( 0.000 -5.516 -0.784) 5.571 6.871 ( 0.000 -7.117 0.038) 7.118 6.879 ( 0.000 -3.266 -4.930) 5.913 7.049 ( -0.000 6.902 3.036) 7.540 7.220 ( -0.000 0.825 3.781) 3.870 7.246 ( -0.000 1.425 2.580) 2.947 7.291 ( -0.000 -0.210 3.294) 3.301 14.560 ( -0.000 2.347 6.459) 6.872 14.582 ( -0.000 4.061 5.062) 6.490 14.992 ( -0.000 -2.428 6.181) 6.640 15.016 ( -0.000 -3.077 8.727) 9.254 16.254 ( 0.000 1.153 -3.746) 3.919 16.356 ( 0.000 2.575 -8.415) 8.801 16.608 ( 0.000 -6.075 -6.711) 9.053 17.157 ( 0.000 6.114 -7.983) 10.055======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 230Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.639 ( 5.427 -5.427 -11.388) 13.733 0.700 ( 6.673 -6.673 -11.979) 15.250 1.437 ( 9.986 -9.986 -23.044) 27.027 1.731 ( -1.834 1.834 -4.749) 5.411 1.940 ( -3.557 3.557 1.012) 5.130 2.234 ( -1.606 1.606 10.638) 10.877 2.249 ( -0.556 0.556 6.770) 6.815 2.333 ( 2.611 -2.611 5.893) 6.954 2.394 ( 6.173 -6.173 13.246) 15.864 2.795 ( -0.571 0.571 -2.473) 2.601 2.887 ( 0.026 -0.026 0.549) 0.550 3.112 ( 3.427 -3.427 5.674) 7.462 3.270 ( -2.461 2.461 -1.587) 3.826 3.322 ( 2.508 -2.508 -0.536) 3.588 3.397 ( -1.582 1.582 0.940) 2.426 4.159 ( -0.912 0.912 -16.095) 16.147 4.174 ( 0.179 -0.179 -14.830) 14.832 5.490 ( -8.861 8.861 -2.796) 12.839 5.662 ( 4.464 -4.464 -4.168) 7.565 5.948 ( -2.823 2.823 3.965) 5.627 6.070 ( -0.195 0.195 -2.679) 2.693 6.710 ( 2.211 -2.211 -1.932) 3.676 6.810 ( 5.619 -5.619 1.033) 8.013 6.844 ( 1.636 -1.636 -5.109) 5.608 7.121 ( -3.578 3.578 2.681) 5.726 7.225 ( -0.578 0.578 3.755) 3.843 7.267 ( -0.383 0.383 3.117) 3.164 7.281 ( 0.295 -0.295 3.331) 3.357 14.579 ( -1.882 1.882 6.465) 6.991 14.658 ( -1.076 1.076 6.653) 6.825 14.902 ( 0.149 -0.149 9.986) 9.989 15.007 ( 3.006 -3.006 7.846) 8.924 16.273 ( -1.297 1.297 -3.866) 4.279 16.441 ( 0.636 -0.636 -10.980) 11.017 16.489 ( 1.432 -1.432 -7.838) 8.095 17.231 ( -4.659 4.659 -7.880) 10.271======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 406Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.283 ( 8.837 5.188 -1.103) 10.306 1.329 ( 12.797 1.450 -5.996) 14.206 1.452 ( -6.213 2.112 -0.001) 6.562 1.707 ( -11.991 -0.443 7.129) 13.957 1.914 ( 4.451 -3.645 -5.345) 7.853 2.076 ( -3.100 -2.953 2.777) 5.103 2.283 ( -0.887 -8.804 0.184) 8.851 2.336 ( -0.714 -9.399 3.719) 10.134 2.596 ( 6.821 3.640 -7.632) 10.864 2.855 ( -4.709 4.816 3.674) 7.673 3.019 ( 2.199 1.690 -0.828) 2.895 3.052 ( 1.447 -0.687 2.051) 2.602 3.202 ( 0.872 6.042 -3.035) 6.818 3.311 ( -3.770 5.809 2.756) 7.453 4.015 ( 11.657 2.604 3.328) 12.400 4.127 ( -5.219 5.933 -4.747) 9.218 4.436 ( 2.425 -0.003 -4.226) 4.872 4.558 ( -5.103 -1.944 3.535) 6.505 5.908 ( -0.885 3.491 -5.885) 6.900 6.023 ( 0.396 3.823 7.141) 8.109 6.225 ( 10.700 -0.660 -7.641) 13.164 6.573 ( -10.314 -2.445 6.438) 12.401 6.922 ( 3.732 -3.798 -2.848) 6.038 6.999 ( 1.135 -1.256 -2.774) 3.249 7.057 ( -0.598 -1.732 0.380) 1.871 7.150 ( -2.100 -0.525 3.627) 4.224 7.178 ( 0.824 0.273 -0.616) 1.064 7.232 ( -2.139 -0.750 1.329) 2.628 14.417 ( -0.895 -1.051 -4.148) 4.371 14.557 ( -2.346 2.640 8.768) 9.452 14.934 ( -3.542 -3.235 -6.760) 8.289 14.998 ( 2.372 -2.446 6.108) 6.994 16.328 ( -3.152 3.164 -7.798) 8.986 16.416 ( 3.793 4.278 8.450) 10.202 16.738 ( 6.233 -5.084 -6.558) 10.378 16.918 ( -3.720 -2.479 1.620) 4.755======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 406Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.391 ( -5.262 3.869 0.384) 6.543 1.492 ( -7.500 4.462 5.211) 10.164 1.564 ( 5.032 4.181 3.206) 7.286 1.629 ( 11.517 2.784 -3.076) 12.241 1.880 ( -5.766 -5.461 0.419) 7.953 1.945 ( 4.335 -3.887 -4.572) 7.403 2.021 ( -2.434 -9.525 -5.210) 11.126 2.152 ( 1.677 -8.762 4.931) 10.193 2.808 ( 4.934 1.766 -6.785) 8.573 2.869 ( -3.997 4.815 8.612) 10.646 3.030 ( -1.761 1.169 -1.102) 2.384 3.064 ( -0.694 1.134 1.204) 1.793 3.309 ( 1.058 1.824 -5.639) 6.021 3.370 ( -2.684 5.337 3.711) 7.032 3.987 ( -10.522 2.621 -10.313) 14.965 4.301 ( 6.403 5.642 1.581) 8.679 4.421 ( -0.901 0.878 -0.922) 1.560 4.608 ( 5.442 -3.946 13.495) 15.076 5.938 ( -3.459 4.048 -6.786) 8.626 6.135 ( 2.080 3.023 7.818) 8.636 6.341 ( 1.156 -2.032 -4.501) 5.072 6.404 ( 0.152 -1.109 3.232) 3.421 6.909 ( 2.028 -3.343 -2.247) 4.509 6.914 ( -1.483 -2.682 1.932) 3.623 7.047 ( 0.661 -0.788 -5.009) 5.113 7.112 ( -0.943 0.143 3.433) 3.563 7.185 ( -1.179 -0.173 0.164) 1.203 7.202 ( 1.031 -0.366 -0.642) 1.268 14.400 ( 0.435 -0.517 -9.475) 9.499 14.564 ( -1.968 2.296 9.750) 10.208 14.816 ( -2.424 -1.519 -6.600) 7.194 14.999 ( 2.318 -2.266 5.763) 6.612 16.328 ( -3.253 3.269 -8.338) 9.528 16.578 ( 3.862 3.831 5.421) 7.680 16.733 ( 0.957 -3.765 -0.926) 3.993 16.807 ( 1.417 -5.008 4.192) 6.683======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 75Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.260 ( 0.000 -0.000 -13.943) 13.943 0.260 ( 0.000 -0.000 -13.943) 13.943 0.630 ( 0.000 -0.000 -33.257) 33.257 1.685 ( 0.000 -0.000 -3.565) 3.565 2.026 ( 0.000 -0.000 -1.582) 1.582 2.359 ( -0.000 0.000 6.157) 6.157 2.359 ( -0.000 0.000 6.157) 6.157 2.478 ( -0.000 0.000 7.696) 7.696 2.478 ( -0.000 0.000 7.696) 7.696 2.908 ( -0.000 0.000 3.075) 3.075 2.908 ( -0.000 0.000 3.075) 3.075 2.994 ( -0.000 0.000 2.618) 2.618 3.260 ( 0.000 -0.000 -2.571) 2.571 3.260 ( 0.000 -0.000 -2.571) 2.571 3.552 ( -0.000 0.000 2.768) 2.768 3.871 ( 0.000 -0.000 -14.016) 14.016 3.871 ( 0.000 -0.000 -14.016) 14.016 5.509 ( 0.000 -0.000 -1.545) 1.545 5.657 ( 0.000 -0.000 -1.616) 1.616 6.021 ( 0.000 -0.000 -2.654) 2.654 6.125 ( -0.000 0.000 4.639) 4.639 6.626 ( 0.000 -0.000 -1.274) 1.274 6.626 ( 0.000 -0.000 -1.274) 1.274 6.717 ( 0.000 -0.000 -4.217) 4.217 7.224 ( -0.000 0.000 1.220) 1.220 7.292 ( -0.000 0.000 2.030) 2.030 7.329 ( -0.000 0.000 2.243) 2.243 7.329 ( -0.000 0.000 2.243) 2.243 14.741 ( -0.000 0.000 5.181) 5.181 14.796 ( -0.000 0.000 3.685) 3.685 15.085 ( -0.000 0.000 8.548) 8.548 15.085 ( -0.000 0.000 8.548) 8.548 16.231 ( 0.000 -0.000 -8.993) 8.993 16.231 ( 0.000 -0.000 -8.993) 8.993 16.279 ( 0.000 -0.000 -2.603) 2.603 17.271 ( 0.000 -0.000 -3.424) 3.424======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 225Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.767 ( 8.424 8.424 -5.185) 12.992 0.873 ( 9.631 9.631 -2.547) 13.856 1.577 ( -2.007 -2.007 -3.055) 4.169 1.708 ( 16.373 16.373 -8.989) 24.838 1.808 ( -2.530 -2.530 -1.291) 3.804 2.201 ( -6.383 -6.383 3.812) 9.799 2.303 ( -4.065 -4.065 5.682) 8.083 2.441 ( -2.440 -2.440 5.533) 6.520 2.775 ( -8.129 -8.129 2.787) 11.829 2.781 ( 3.388 3.388 -4.667) 6.688 2.859 ( 6.112 6.112 3.369) 9.277 3.122 ( -1.768 -1.768 0.854) 2.642 3.148 ( 1.370 1.370 -2.673) 3.301 3.418 ( 1.438 1.438 0.692) 2.148 3.694 ( 8.056 8.056 8.636) 14.296 3.968 ( 4.261 4.261 -7.943) 9.969 4.080 ( 6.460 6.460 -10.178) 13.677 5.016 ( -11.772 -11.772 -0.397) 16.653 5.775 ( 4.960 4.960 -4.499) 8.334 5.873 ( -0.975 -0.975 -1.757) 2.233 6.137 ( 1.132 1.132 5.074) 5.321 6.739 ( 1.164 1.164 -1.829) 2.461 6.827 ( 1.927 1.927 -4.333) 5.119 6.986 ( -5.564 -5.564 2.274) 8.190 7.018 ( 3.262 3.262 1.073) 4.736 7.245 ( -1.537 -1.537 2.251) 3.129 7.271 ( -1.393 -1.393 1.206) 2.310 7.321 ( -0.892 -0.892 1.497) 1.958 14.525 ( -4.587 -4.587 1.958) 6.777 14.807 ( 0.943 0.943 7.862) 7.974 14.976 ( -4.040 -4.040 -4.661) 7.374 15.066 ( -0.351 -0.351 7.045) 7.062 16.287 ( 1.128 1.128 -8.175) 8.329 16.340 ( -0.717 -0.717 -6.622) 6.699 16.451 ( 4.802 4.802 8.574) 10.938 16.948 ( -0.658 -0.658 -7.726) 7.782======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 225Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.105 ( 8.916 8.916 -3.803) 13.171 1.244 ( 9.115 9.115 0.279) 12.893 1.505 ( -1.328 -1.328 -2.531) 3.151 1.743 ( -0.844 -0.844 -2.012) 2.339 1.922 ( -6.816 -6.816 2.127) 9.871 2.111 ( -6.034 -6.034 0.665) 8.560 2.250 ( 7.746 7.746 -1.195) 11.019 2.290 ( -4.631 -4.631 6.744) 9.401 2.452 ( -5.169 -5.169 -3.348) 8.040 2.929 ( 3.979 3.979 -2.477) 6.148 3.018 ( 1.807 1.807 0.729) 2.657 3.079 ( -0.446 -0.446 2.004) 2.101 3.202 ( 0.997 0.997 -2.680) 3.028 3.487 ( 2.226 2.226 2.486) 4.011 3.956 ( 3.038 3.038 3.435) 5.501 4.193 ( 6.372 6.372 -2.821) 9.442 4.254 ( 1.413 1.413 -8.438) 8.671 4.714 ( -0.855 -0.855 7.448) 7.546 5.880 ( 1.022 1.022 -3.177) 3.490 5.948 ( 3.538 3.538 -6.957) 8.569 6.204 ( 2.362 2.362 6.202) 7.044 6.739 ( -4.137 -4.137 2.642) 6.420 6.779 ( -1.539 -1.539 -1.443) 2.611 6.887 ( 1.067 1.067 -4.427) 4.677 7.076 ( -1.227 -1.227 1.500) 2.294 7.179 ( -0.698 -0.698 0.357) 1.049 7.219 ( -1.224 -1.224 1.855) 2.538 7.263 ( -1.857 -1.857 0.711) 2.721 14.353 ( -3.884 -3.884 -2.163) 5.903 14.818 ( -2.659 -2.659 -2.303) 4.410 14.849 ( 0.111 0.111 7.237) 7.238 15.054 ( -0.246 -0.246 5.912) 5.922 16.301 ( -1.001 -1.001 -9.097) 9.206 16.328 ( 0.873 0.873 -7.630) 7.729 16.635 ( 4.297 4.297 9.548) 11.318 16.927 ( -0.744 -0.744 -2.035) 2.291======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 225Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.435 ( -0.045 -0.045 -3.546) 3.547 1.461 ( 9.049 9.049 -2.461) 13.032 1.617 ( 7.173 7.173 2.953) 10.565 1.713 ( -3.065 -3.065 1.347) 4.539 1.730 ( -0.032 -0.032 -2.808) 2.808 1.828 ( -8.135 -8.135 -1.963) 11.671 2.050 ( -7.595 -7.595 2.976) 11.145 2.140 ( -2.329 -2.329 7.275) 7.986 2.638 ( 4.460 4.460 -5.702) 8.503 3.041 ( 0.030 0.030 -0.685) 0.687 3.054 ( 0.921 0.921 3.529) 3.762 3.096 ( 1.972 1.972 0.356) 2.812 3.216 ( -0.108 -0.108 -4.264) 4.266 3.563 ( 1.209 1.209 4.146) 4.485 3.817 ( -5.033 -5.033 -11.500) 13.525 4.392 ( 3.000 3.000 -0.552) 4.278 4.411 ( 4.183 4.183 0.775) 5.967 4.792 ( 1.765 1.765 14.048) 14.268 5.919 ( 0.624 0.624 -3.998) 4.094 6.037 ( 1.012 1.012 -9.653) 9.759 6.307 ( 2.208 2.208 7.007) 7.672 6.572 ( -2.504 -2.504 4.133) 5.443 6.766 ( -0.205 -0.205 -2.314) 2.332 6.912 ( 0.388 0.388 -4.409) 4.443 6.967 ( -2.688 -2.688 0.981) 3.926 7.183 ( -0.411 -0.411 1.937) 2.022 7.187 ( 0.221 0.221 0.206) 0.374 7.200 ( -1.019 -1.019 0.148) 1.449 14.242 ( -1.557 -1.557 -5.496) 5.921 14.730 ( -1.231 -1.231 -3.598) 3.997 14.867 ( 0.284 0.284 11.044) 11.052 15.048 ( -0.079 -0.079 5.209) 5.210 16.272 ( -0.395 -0.395 -9.978) 9.994 16.352 ( 0.314 0.314 -7.326) 7.340 16.777 ( 2.889 2.889 6.832) 7.960 16.880 ( -1.635 -1.635 3.104) 3.871======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.597 ( -0.000 14.781 -0.000) 14.781 0.619 ( -0.000 15.703 -0.000) 15.703 1.139 ( -0.000 27.568 -0.000) 27.568 1.596 ( 0.000 -2.224 0.000) 2.224 1.877 ( 0.000 -4.092 0.000) 4.092 2.393 ( 0.000 -7.812 0.000) 7.812 2.553 ( -0.000 4.485 -0.000) 4.485 2.609 ( -0.000 1.196 -0.000) 1.196 2.648 ( 0.000 -6.077 0.000) 6.077 2.687 ( -0.000 5.371 -0.000) 5.371 2.982 ( -0.000 1.353 -0.000) 1.353 3.031 ( 0.000 -7.623 0.000) 7.623 3.226 ( 0.000 -0.246 0.000) 0.246 3.273 ( 0.000 -2.054 0.000) 2.054 3.679 ( 0.000 -1.352 0.000) 1.352 3.680 ( -0.000 18.641 -0.000) 18.641 3.849 ( -0.000 7.225 -0.000) 7.225 5.260 ( 0.000 -17.203 0.000) 17.203 5.654 ( -0.000 8.224 -0.000) 8.224 5.864 ( 0.000 -5.157 0.000) 5.157 6.151 ( 0.000 -0.531 0.000) 0.531 6.741 ( -0.000 3.433 -0.000) 3.433 6.792 ( -0.000 6.381 -0.000) 6.381 6.897 ( -0.000 4.027 -0.000) 4.027 7.112 ( 0.000 -6.315 0.000) 6.315 7.297 ( 0.000 -0.790 0.000) 0.790 7.305 ( 0.000 -2.286 0.000) 2.286 7.358 ( 0.000 -0.233 0.000) 0.233 14.728 ( 0.000 -2.906 0.000) 2.906 14.738 ( 0.000 -4.203 0.000) 4.203 15.070 ( 0.000 -4.592 0.000) 4.592 15.087 ( 0.000 -4.133 0.000) 4.133 16.261 ( -0.000 5.552 -0.000) 5.552 16.385 ( -0.000 6.269 -0.000) 6.269 16.401 ( -0.000 0.802 -0.000) 0.802 16.771 ( -0.000 1.092 -0.000) 1.092======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 246Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.909 ( -0.418 15.043 -0.000) 15.049 0.929 ( 5.321 12.827 0.000) 13.887 1.543 ( -1.163 -1.695 -0.000) 2.056 1.740 ( 8.847 21.084 0.000) 22.865 1.795 ( -1.604 -1.731 -0.000) 2.360 2.182 ( -4.160 -9.167 -0.000) 10.066 2.444 ( -8.383 -2.186 -0.000) 8.663 2.537 ( -5.068 -3.636 -0.000) 6.237 2.689 ( 4.711 2.889 0.000) 5.526 2.761 ( -4.948 -6.479 -0.000) 8.152 2.886 ( 4.519 1.089 0.000) 4.649 3.074 ( 4.415 0.909 0.000) 4.508 3.149 ( -2.470 -1.139 -0.000) 2.720 3.321 ( 5.797 -3.004 0.000) 6.529 3.742 ( 6.743 2.259 0.000) 7.112 4.044 ( 1.986 10.465 -0.000) 10.652 4.061 ( 0.450 16.568 -0.000) 16.574 4.858 ( -2.486 -17.895 0.000) 18.067 5.782 ( 1.749 -4.282 0.000) 4.625 5.849 ( -0.256 10.885 -0.000) 10.888 6.166 ( 1.781 0.402 0.000) 1.826 6.817 ( 0.228 3.563 -0.000) 3.570 6.844 ( -4.228 5.274 -0.000) 6.760 6.940 ( -2.088 -8.829 0.000) 9.073 7.030 ( 3.143 3.287 0.000) 4.548 7.243 ( -0.823 -3.344 0.000) 3.444 7.270 ( -0.527 -1.502 -0.000) 1.592 7.330 ( -0.956 -1.805 -0.000) 2.043 14.547 ( -5.500 -5.019 -0.000) 7.446 14.779 ( 6.277 -3.051 0.000) 6.979 14.909 ( -3.777 -4.887 -0.000) 6.176 15.054 ( 3.116 -4.574 0.000) 5.534 16.332 ( -3.849 6.241 -0.000) 7.333 16.348 ( -4.988 2.134 -0.000) 5.426 16.593 ( 4.522 6.253 0.000) 7.717 16.819 ( 2.116 0.870 0.000) 2.288======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 246Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.204 ( 1.967 13.871 -0.000) 14.010 1.278 ( 6.915 9.969 0.000) 12.132 1.501 ( -1.210 0.424 -0.000) 1.282 1.744 ( -1.412 -0.400 -0.000) 1.467 1.898 ( -5.025 -8.941 -0.000) 10.257 2.109 ( -2.833 -1.167 -0.000) 3.064 2.269 ( -5.799 -11.195 -0.000) 12.608 2.380 ( 0.631 13.053 -0.000) 13.068 2.502 ( -7.849 -4.457 -0.000) 9.026 2.860 ( 6.484 3.362 0.000) 7.303 2.996 ( 3.218 -0.581 0.000) 3.270 3.104 ( -0.408 -0.757 -0.000) 0.860 3.152 ( 2.039 0.265 0.000) 2.056 3.378 ( 7.714 -4.054 0.000) 8.714 4.015 ( 11.115 5.878 0.000) 12.574 4.069 ( -10.368 -7.202 -0.000) 12.624 4.298 ( 2.867 9.297 0.000) 9.729 4.749 ( 6.413 4.436 0.000) 7.798 5.771 ( 3.803 -2.824 0.000) 4.737 6.031 ( -3.583 10.719 -0.000) 11.302 6.238 ( 3.515 1.657 0.000) 3.885 6.712 ( -2.184 -9.122 0.000) 9.380 6.851 ( -4.196 3.884 -0.000) 5.718 6.873 ( -0.676 2.489 -0.000) 2.579 7.086 ( -1.215 -1.903 -0.000) 2.258 7.169 ( 0.241 -0.966 0.000) 0.996 7.224 ( -0.550 -1.870 -0.000) 1.949 7.256 ( -1.488 -2.866 -0.000) 3.230 14.346 ( -5.350 -4.008 -0.000) 6.685 14.761 ( -2.398 -3.660 -0.000) 4.376 14.843 ( 6.075 -3.087 0.000) 6.814 15.028 ( 3.349 -4.434 0.000) 5.556 16.294 ( -4.990 2.585 -0.000) 5.620 16.367 ( -4.370 5.673 -0.000) 7.161 16.781 ( 2.250 5.688 0.000) 6.117 16.868 ( 1.628 0.260 0.000) 1.649======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 246Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.458 ( -2.175 3.191 -0.000) 3.862 1.528 ( 4.424 12.607 0.000) 13.360 1.635 ( 8.013 6.495 0.000) 10.315 1.660 ( 0.066 -5.845 0.000) 5.845 1.748 ( -2.253 1.121 -0.000) 2.517 1.869 ( -10.450 -5.107 -0.000) 11.631 1.944 ( -3.507 -11.917 -0.000) 12.422 2.309 ( -5.551 -0.594 -0.000) 5.583 2.655 ( 0.823 7.994 -0.000) 8.036 3.004 ( 1.301 -1.868 0.000) 2.276 3.045 ( 5.440 1.193 0.000) 5.570 3.095 ( 0.386 -0.470 0.000) 0.608 3.175 ( 0.471 0.787 0.000) 0.917 3.446 ( 8.410 -6.119 0.000) 10.400 3.704 ( -6.261 -7.806 -0.000) 10.007 4.308 ( 7.119 3.088 0.000) 7.759 4.464 ( 0.427 3.470 -0.000) 3.496 4.970 ( 1.629 5.744 0.000) 5.971 5.795 ( 4.000 -3.109 0.000) 5.066 6.108 ( -7.212 8.330 -0.000) 11.018 6.347 ( 3.388 1.078 0.000) 3.556 6.550 ( 0.756 -5.071 0.000) 5.128 6.838 ( -3.663 3.018 -0.000) 4.746 6.889 ( -1.386 1.507 -0.000) 2.048 6.973 ( -2.049 -3.030 -0.000) 3.657 7.180 ( 0.316 -0.951 0.000) 1.002 7.188 ( 0.249 -1.247 0.000) 1.272 7.192 ( -0.249 -0.507 -0.000) 0.565 14.211 ( -2.935 -0.873 -0.000) 3.062 14.680 ( -0.309 -1.823 0.000) 1.849 14.885 ( 4.960 -3.784 0.000) 6.238 15.014 ( 3.721 -4.103 0.000) 5.539 16.261 ( -4.422 3.500 -0.000) 5.639 16.384 ( -4.477 4.908 -0.000) 6.643 16.889 ( -0.866 3.746 -0.000) 3.845 16.891 ( 0.867 -0.327 0.000) 0.927======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 225Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.133 ( -0.000 11.480 1.160) 11.538 1.236 ( -0.000 13.243 3.872) 13.798 1.475 ( 0.000 -3.706 -4.093) 5.521 1.855 ( -0.000 0.476 6.749) 6.765 1.921 ( 0.000 -9.601 -8.363) 12.732 2.073 ( -0.000 12.080 0.682) 12.099 2.442 ( 0.000 -1.017 -2.233) 2.454 2.656 ( 0.000 3.121 -2.269) 3.859 2.692 ( 0.000 -5.981 0.905) 6.049 2.721 ( -0.000 -3.523 11.686) 12.205 2.749 ( 0.000 -5.495 -2.310) 5.961 3.005 ( 0.000 7.076 -4.453) 8.361 3.113 ( 0.000 -5.190 -0.150) 5.192 3.224 ( 0.000 -1.222 -1.172) 1.693 3.818 ( -0.000 3.280 5.929) 6.776 4.141 ( 0.000 12.016 -7.818) 14.335 4.456 ( -0.000 16.799 0.167) 16.800 4.505 ( 0.000 -20.920 4.488) 21.396 5.720 ( -0.000 -3.330 4.191) 5.352 6.083 ( 0.000 3.668 -5.956) 6.995 6.158 ( -0.000 12.175 2.666) 12.463 6.717 ( 0.000 -11.779 -3.961) 12.427 6.932 ( -0.000 3.542 3.990) 5.335 7.004 ( -0.000 2.840 1.473) 3.200 7.063 ( -0.000 2.938 1.451) 3.276 7.174 ( 0.000 -3.342 -0.497) 3.379 7.215 ( 0.000 -2.462 -2.199) 3.301 7.282 ( 0.000 -2.928 -1.200) 3.165 14.512 ( 0.000 -3.786 -3.406) 5.093 14.550 ( 0.000 -2.672 -4.409) 5.156 14.941 ( -0.000 -4.070 5.450) 6.802 14.966 ( -0.000 -4.696 6.032) 7.644 16.356 ( 0.000 1.442 -5.873) 6.047 16.406 ( 0.000 5.855 -7.280) 9.343 16.780 ( -0.000 8.555 5.140) 9.980 16.876 ( -0.000 -1.452 5.331) 5.525======================= 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 8.58e-05 8.58e-05 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 ( 2.244 6.216 -0.592) 6.636 1.422 ( 1.708 -1.190 -6.915) 7.221 1.481 ( 0.211 12.179 3.296) 12.619 1.683 ( -3.061 -9.780 -7.564) 12.737 1.865 ( 0.457 -0.055 7.513) 7.528 2.140 ( -3.560 -2.675 -2.183) 4.960 2.273 ( -8.406 -7.527 5.891) 12.729 2.506 ( -4.616 -4.315 -0.966) 6.393 2.673 ( -1.655 9.698 2.035) 10.047 2.733 ( 7.655 -4.128 -5.005) 10.035 2.893 ( 7.707 1.132 4.920) 9.213 3.023 ( 0.170 -4.141 -0.223) 4.151 3.127 ( 1.927 2.173 -0.421) 2.935 3.213 ( 1.638 -1.086 -0.145) 1.970 3.901 ( 1.251 -7.198 -2.850) 7.842 4.132 ( -1.064 -1.549 7.072) 7.318 4.376 ( 2.099 7.234 -5.659) 9.421 4.819 ( 1.348 16.033 -3.722) 16.514 5.697 ( 2.138 -1.570 4.114) 4.895 6.152 ( 2.094 2.541 -6.551) 7.332 6.390 ( -3.586 9.296 3.130) 10.443 6.484 ( 0.827 -8.091 -3.753) 8.957 6.983 ( -1.134 2.063 3.486) 4.207 6.996 ( -2.532 0.371 2.452) 3.544 7.048 ( -1.149 -4.289 0.069) 4.441 7.156 ( 0.315 -1.420 -0.692) 1.611 7.163 ( 0.689 -0.663 -0.170) 0.971 7.217 ( -0.575 -2.331 -0.730) 2.509 14.390 ( -3.785 -2.038 0.760) 4.366 14.571 ( 4.400 -2.563 -5.652) 7.607 14.793 ( -3.184 -4.310 6.079) 8.103 14.945 ( 3.995 -4.244 6.588) 8.796 16.341 ( -3.408 2.279 -5.638) 6.971 16.547 ( 1.782 4.338 -4.568) 6.547 16.828 ( -1.732 0.828 1.206) 2.267 16.949 ( -0.708 6.812 1.910) 7.110======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 405Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.367 ( 3.413 -5.040 -8.988) 10.855 1.433 ( -0.285 -4.071 -10.241) 11.024 1.633 ( 4.541 4.617 1.735) 6.704 1.736 ( 2.442 10.099 3.984) 11.128 1.837 ( -2.617 -3.627 2.949) 5.358 1.959 ( -2.962 -1.475 6.604) 7.387 2.006 ( -9.284 -3.422 4.399) 10.829 2.339 ( -3.686 -2.445 -1.569) 4.693 2.793 ( 8.047 -3.793 -6.643) 11.102 2.863 ( 0.878 4.852 0.914) 5.015 2.945 ( 0.456 -3.947 -0.081) 3.974 2.990 ( 2.777 -1.780 -0.392) 3.322 3.215 ( 3.996 -2.212 1.570) 4.830 3.232 ( 1.177 2.677 3.511) 4.570 3.623 ( -0.004 -11.780 2.975) 12.150 4.312 ( 2.947 6.631 0.365) 7.265 4.497 ( -1.247 3.333 -5.661) 6.687 5.071 ( -4.239 11.334 -6.881) 13.920 5.716 ( 2.103 -1.351 3.768) 4.522 6.250 ( 2.517 0.958 -5.541) 6.161 6.261 ( 2.583 -7.692 -3.207) 8.725 6.574 ( -5.891 10.050 2.906) 12.006 6.923 ( -0.896 -3.276 -0.222) 3.404 6.933 ( -0.993 -2.048 1.878) 2.950 6.996 ( -1.398 0.982 3.967) 4.319 7.121 ( 0.925 -1.785 -1.907) 2.771 7.172 ( -0.256 -0.183 0.478) 0.573 7.195 ( 0.239 0.002 1.012) 1.039 14.308 ( -2.542 0.277 4.408) 5.096 14.601 ( 3.808 -2.770 -6.240) 7.817 14.683 ( -0.620 -2.628 4.201) 4.994 14.944 ( 4.154 -4.149 6.967) 9.111 16.325 ( -3.190 2.733 -5.253) 6.726 16.625 ( -1.111 2.990 1.787) 3.656 16.816 ( 0.448 -0.742 -4.188) 4.277 17.037 ( -4.758 7.241 -1.050) 8.727======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 230Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.122 ( 0.000 -7.259 -9.905) 12.280 1.261 ( 0.000 -11.436 -9.321) 14.753 1.557 ( -0.000 7.247 -0.806) 7.291 1.789 ( -0.000 10.176 6.542) 12.098 1.958 ( -0.000 -4.387 2.964) 5.294 2.039 ( 0.000 -3.573 -4.438) 5.697 2.344 ( 0.000 -9.170 -4.014) 10.010 2.412 ( -0.000 -6.623 8.899) 11.093 2.476 ( -0.000 -6.622 4.434) 7.970 2.831 ( -0.000 5.971 0.649) 6.007 2.878 ( 0.000 -0.199 -1.883) 1.893 3.027 ( 0.000 -3.664 -2.711) 4.558 3.135 ( -0.000 5.436 4.800) 7.252 3.256 ( -0.000 4.672 0.352) 4.685 3.647 ( 0.000 -13.973 1.927) 14.105 4.244 ( -0.000 2.596 0.407) 2.628 4.307 ( 0.000 6.304 -13.437) 14.843 5.087 ( -0.000 17.897 -4.774) 18.523 5.779 ( -0.000 0.758 6.585) 6.629 6.044 ( 0.000 3.394 -7.915) 8.612 6.093 ( 0.000 -13.390 -6.336) 14.813 6.761 ( -0.000 10.754 4.030) 11.484 6.967 ( 0.000 -4.502 0.106) 4.503 6.995 ( 0.000 -5.893 1.294) 6.033 7.032 ( 0.000 -3.560 -3.971) 5.334 7.118 ( -0.000 1.548 4.560) 4.816 7.191 ( -0.000 0.593 0.374) 0.701 7.222 ( -0.000 0.842 3.320) 3.425 14.435 ( -0.000 0.314 3.139) 3.155 14.470 ( -0.000 1.304 0.576) 1.426 14.922 ( -0.000 -4.021 8.675) 9.561 14.929 ( -0.000 -3.840 7.341) 8.285 16.310 ( 0.000 1.454 -5.002) 5.209 16.456 ( 0.000 4.634 -9.491) 10.562 16.797 ( 0.000 -4.156 -2.219) 4.711 17.126 ( -0.000 7.271 -2.264) 7.615======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 406Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.987 ( 1.758 -8.102 -10.863) 13.665 1.074 ( 3.046 -7.594 -12.527) 14.963 1.706 ( 1.484 6.264 0.009) 6.437 1.878 ( -3.352 -3.815 3.435) 6.131 1.928 ( 2.727 -4.647 -5.527) 7.719 1.990 ( 0.887 7.305 5.001) 8.897 2.169 ( -2.923 -2.821 1.623) 4.375 2.325 ( -0.141 -5.094 2.991) 5.909 2.346 ( 6.327 -9.580 5.088) 12.558 2.857 ( -0.319 -2.062 -1.529) 2.587 2.900 ( 0.524 0.126 -1.746) 1.827 3.027 ( 2.062 2.236 3.327) 4.507 3.224 ( -1.315 2.073 1.823) 3.058 3.323 ( 1.541 1.490 3.670) 4.250 3.424 ( 1.087 -8.215 0.761) 8.321 4.349 ( 0.558 5.039 -7.404) 8.973 4.404 ( -1.036 3.345 -13.759) 14.198 5.336 ( -7.315 13.582 -4.741) 16.138 5.802 ( -0.547 1.744 5.032) 5.353 5.897 ( 4.066 -9.526 -5.136) 11.561 6.131 ( 1.592 2.476 -6.406) 7.050 6.812 ( -0.487 -3.992 -0.857) 4.111 6.889 ( 2.190 -4.950 2.196) 5.841 6.954 ( -3.281 6.118 3.341) 7.704 6.975 ( 0.798 -2.585 -3.749) 4.623 7.136 ( -0.373 0.719 4.313) 4.388 7.202 ( -0.123 0.647 1.873) 1.986 7.228 ( 0.149 -0.278 3.074) 3.090 14.443 ( -0.300 0.688 5.459) 5.510 14.514 ( 0.366 2.129 2.427) 3.249 14.773 ( -2.552 -3.486 8.325) 9.379 14.926 ( 4.080 -4.041 8.270) 10.068 16.323 ( -1.875 2.037 -5.048) 5.757 16.574 ( 3.104 3.595 -8.664) 9.880 16.700 ( -1.799 -3.951 -5.549) 7.045 17.233 ( -3.621 6.722 -3.961) 8.602======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 230Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.201 ( -8.181 8.181 6.267) 13.158 1.247 ( -7.576 7.576 1.017) 10.762 1.573 ( 1.601 -1.601 4.400) 4.948 1.786 ( 0.371 -0.371 2.096) 2.161 1.874 ( 6.175 -6.175 -2.735) 9.150 2.066 ( 3.032 -3.032 -5.229) 6.762 2.187 ( 5.835 -5.835 -2.157) 8.529 2.218 ( 2.053 -2.053 -4.883) 5.680 2.575 ( -3.919 3.919 9.348) 10.868 2.952 ( -1.240 1.240 -0.789) 1.923 3.013 ( -2.643 2.643 0.333) 3.752 3.023 ( -0.257 0.257 -3.359) 3.379 3.261 ( -1.996 1.996 3.246) 4.302 3.419 ( -1.034 1.034 -4.689) 4.911 3.897 ( -8.470 8.470 -3.573) 12.500 4.269 ( -4.016 4.016 5.162) 7.675 4.412 ( -2.708 2.708 5.006) 6.302 4.590 ( 9.193 -9.193 -1.274) 13.063 5.941 ( -2.700 2.700 1.064) 3.964 6.093 ( -0.830 0.830 -2.914) 3.141 6.103 ( -4.774 4.774 8.844) 11.126 6.653 ( 6.307 -6.307 -6.017) 10.759 6.827 ( -0.054 0.054 3.155) 3.156 6.971 ( -0.434 0.434 3.363) 3.419 7.040 ( 0.754 -0.754 -1.569) 1.896 7.164 ( 0.751 -0.751 -3.057) 3.236 7.176 ( 0.721 -0.721 -0.741) 1.261 7.244 ( 1.343 -1.343 -1.265) 2.283 14.416 ( 1.254 -1.254 4.476) 4.814 14.628 ( 0.149 -0.149 -11.997) 11.999 14.921 ( -0.268 0.268 -7.729) 7.738 14.938 ( 3.347 -3.347 6.488) 8.031 16.417 ( -3.481 3.481 -6.538) 8.184 16.504 ( -0.705 0.705 10.441) 10.488 16.517 ( -0.366 0.366 6.423) 6.444 16.932 ( 3.563 -3.563 -1.306) 5.206======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 225Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.600 ( 0.000 -7.244 -12.512) 14.458 0.616 ( 0.000 -8.975 -12.267) 15.200 1.333 ( 0.000 -9.795 -26.780) 28.515 1.747 ( 0.000 2.706 -4.735) 5.454 1.991 ( -0.000 4.299 0.029) 4.299 2.224 ( -0.000 -3.623 11.775) 12.319 2.263 ( -0.000 4.990 9.507) 10.737 2.286 ( -0.000 -7.898 9.116) 12.062 2.355 ( -0.000 -3.519 8.118) 8.848 2.821 ( 0.000 1.152 -1.684) 2.040 2.871 ( -0.000 0.293 0.573) 0.644 3.054 ( -0.000 -6.479 6.075) 8.881 3.297 ( 0.000 1.336 -1.884) 2.310 3.309 ( 0.000 -1.174 -1.540) 1.936 3.420 ( -0.000 4.231 2.215) 4.776 4.163 ( 0.000 1.927 -17.735) 17.839 4.178 ( 0.000 0.394 -15.546) 15.551 5.598 ( 0.000 -5.138 -3.079) 5.990 5.599 ( -0.000 9.858 -3.060) 10.322 5.991 ( -0.000 2.426 6.122) 6.585 6.059 ( 0.000 3.039 -5.173) 6.000 6.707 ( 0.000 -4.918 -1.193) 5.060 6.730 ( 0.000 -6.669 -0.079) 6.670 6.828 ( 0.000 -1.889 -5.127) 5.464 7.155 ( -0.000 3.778 2.429) 4.491 7.232 ( -0.000 0.437 3.800) 3.825 7.266 ( -0.000 0.681 3.259) 3.329 7.281 ( -0.000 -0.681 3.451) 3.518 14.599 ( -0.000 1.504 7.517) 7.666 14.662 ( -0.000 3.816 5.702) 6.861 14.936 ( -0.000 -2.997 8.975) 9.462 14.943 ( -0.000 -3.826 10.707) 11.370 16.295 ( 0.000 2.834 -5.168) 5.894 16.405 ( 0.000 2.119 -10.644) 10.853 16.496 ( 0.000 -5.238 -8.547) 10.025 17.283 ( 0.000 6.154 -7.221) 9.487======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 405Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.388 ( 9.484 5.487 -3.700) 11.565 1.406 ( 9.424 6.327 -0.533) 11.363 1.502 ( -4.899 2.753 -2.348) 6.091 1.706 ( -10.006 -0.084 4.247) 10.870 1.837 ( 4.869 -3.813 -3.947) 7.337 1.995 ( -5.178 -4.879 0.622) 7.141 2.102 ( -3.549 -8.786 1.521) 9.597 2.148 ( -2.626 -9.608 6.520) 11.905 2.692 ( 6.680 5.195 -9.510) 12.730 2.933 ( -2.479 2.680 5.525) 6.622 3.044 ( 0.465 1.040 -0.879) 1.439 3.053 ( 1.716 0.927 1.254) 2.319 3.288 ( 1.073 2.850 -4.710) 5.609 3.413 ( -1.493 4.014 5.065) 6.633 4.071 ( 7.006 2.673 -3.725) 8.373 4.253 ( -5.701 6.671 -1.641) 8.928 4.416 ( 0.487 -1.709 -5.973) 6.232 4.533 ( 2.329 -0.804 10.732) 11.011 5.978 ( 0.163 3.355 -5.938) 6.822 6.099 ( 0.821 3.728 7.293) 8.232 6.218 ( 6.813 0.093 -9.334) 11.556 6.518 ( -7.167 -3.055 7.164) 10.584 6.854 ( 2.460 -2.822 -3.280) 4.977 6.960 ( -1.881 -2.638 1.341) 3.507 7.032 ( 0.401 -0.680 -3.529) 3.616 7.138 ( -1.502 -0.669 3.822) 4.160 7.182 ( 0.862 0.156 -0.154) 0.889 7.214 ( -1.645 -0.950 0.644) 2.006 14.399 ( -0.391 -0.713 -7.471) 7.515 14.604 ( -1.978 2.002 11.775) 12.106 14.873 ( -3.226 -2.875 -6.878) 8.123 14.950 ( 2.362 -2.105 7.212) 7.875 16.405 ( -4.325 4.474 -10.024) 11.799 16.501 ( 3.714 4.230 7.029) 9.005 16.634 ( 6.338 -5.119 -6.321) 10.311 16.858 ( -3.869 -3.576 4.495) 6.926======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 225Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.473 ( -4.153 4.153 -3.305) 6.740 1.592 ( -5.251 5.251 3.697) 8.295 1.622 ( 0.322 -0.322 3.743) 3.771 1.654 ( 2.679 -2.679 -0.067) 3.790 1.801 ( 0.003 -0.003 -4.833) 4.833 1.864 ( 5.279 -5.279 -5.998) 9.577 1.890 ( 0.638 -0.638 0.891) 1.268 2.015 ( 4.704 -4.704 7.573) 10.080 2.817 ( 0.809 -0.809 -7.495) 7.582 2.936 ( -2.018 2.018 7.913) 8.412 3.055 ( -0.960 0.960 -1.365) 1.925 3.085 ( -0.709 0.709 1.363) 1.692 3.326 ( -0.146 0.146 -6.897) 6.900 3.443 ( -2.185 2.185 6.206) 6.932 4.049 ( -3.412 3.412 -17.319) 17.979 4.386 ( -1.430 1.430 3.672) 4.192 4.431 ( -1.088 1.088 1.376) 2.065 4.526 ( 3.949 -3.949 14.115) 15.179 6.006 ( -2.501 2.501 -7.016) 7.857 6.172 ( -0.569 0.569 8.262) 8.301 6.284 ( 3.086 -3.086 -10.357) 11.239 6.414 ( -1.662 1.662 7.983) 8.322 6.847 ( 2.507 -2.507 -3.381) 4.899 6.887 ( 0.106 -0.106 3.179) 3.182 7.034 ( 0.521 -0.521 -5.578) 5.626 7.117 ( -0.338 0.338 3.951) 3.980 7.186 ( -0.296 0.296 0.045) 0.421 7.193 ( 0.461 -0.461 -0.150) 0.668 14.392 ( 0.305 -0.305 -10.906) 10.914 14.605 ( -1.805 1.805 12.477) 12.735 14.804 ( -0.288 0.288 -6.007) 6.021 14.953 ( 2.109 -2.109 6.869) 7.488 16.406 ( -4.505 4.505 -10.594) 12.362 16.595 ( 3.178 -3.178 -7.792) 8.995 16.705 ( 2.703 -2.703 6.579) 7.609 16.712 ( -0.258 0.258 9.237) 9.244======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.875 ( -0.000 13.595 -0.000) 13.595 0.920 ( -0.000 14.982 -0.000) 14.982 1.554 ( 0.000 -1.868 0.000) 1.868 1.646 ( -0.000 23.822 -0.000) 23.822 1.813 ( 0.000 -2.397 0.000) 2.397 2.226 ( 0.000 -8.959 0.000) 8.959 2.551 ( 0.000 -3.824 0.000) 3.824 2.607 ( 0.000 -1.734 0.000) 1.734 2.630 ( -0.000 3.223 -0.000) 3.223 2.772 ( -0.000 2.499 -0.000) 2.499 2.864 ( 0.000 -9.194 0.000) 9.194 3.016 ( -0.000 2.166 -0.000) 2.166 3.208 ( 0.000 -4.351 0.000) 4.351 3.222 ( 0.000 -0.030 0.000) 0.030 3.676 ( -0.000 1.576 -0.000) 1.576 4.023 ( -0.000 10.184 -0.000) 10.184 4.055 ( -0.000 19.625 -0.000) 19.625 4.884 ( 0.000 -20.807 0.000) 20.807 5.763 ( 0.000 -4.913 0.000) 4.913 5.852 ( -0.000 11.932 -0.000) 11.932 6.149 ( -0.000 0.357 -0.000) 0.357 6.814 ( -0.000 3.966 -0.000) 3.966 6.908 ( -0.000 5.188 -0.000) 5.188 6.960 ( 0.000 -9.184 0.000) 9.184 6.978 ( -0.000 4.078 -0.000) 4.078 7.251 ( 0.000 -3.293 0.000) 3.293 7.275 ( 0.000 -1.531 0.000) 1.531 7.340 ( 0.000 -1.700 0.000) 1.700 14.649 ( 0.000 -4.811 0.000) 4.811 14.666 ( 0.000 -3.261 0.000) 3.261 14.974 ( 0.000 -5.081 0.000) 5.081 14.995 ( 0.000 -5.179 0.000) 5.179 16.378 ( -0.000 6.306 -0.000) 6.306 16.418 ( -0.000 0.830 -0.000) 0.830 16.529 ( -0.000 8.367 -0.000) 8.367 16.793 ( -0.000 1.027 -0.000) 1.027======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.166 ( 4.220 11.182 0.000) 11.952 1.193 ( -0.363 13.932 -0.000) 13.936 1.521 ( -0.681 -0.428 -0.000) 0.804 1.767 ( -0.944 -1.258 -0.000) 1.573 1.978 ( -2.206 -7.722 -0.000) 8.030 2.098 ( 1.363 9.143 -0.000) 9.244 2.408 ( -8.130 -9.351 -0.000) 12.391 2.451 ( -5.751 5.062 -0.000) 7.662 2.630 ( -5.027 -5.988 -0.000) 7.818 2.743 ( 5.229 2.709 0.000) 5.889 2.888 ( 7.755 -1.872 0.000) 7.978 3.100 ( 2.827 1.714 0.000) 3.306 3.111 ( -0.281 -3.226 0.000) 3.238 3.258 ( 3.962 -2.928 0.000) 4.926 3.832 ( 6.984 7.120 0.000) 9.974 4.249 ( 1.878 10.275 -0.000) 10.445 4.268 ( -9.871 -3.751 -0.000) 10.560 4.612 ( 7.599 1.288 0.000) 7.707 5.706 ( 2.543 -3.328 0.000) 4.188 6.090 ( -2.219 13.458 -0.000) 13.640 6.184 ( 1.908 1.444 0.000) 2.393 6.745 ( -1.157 -10.937 0.000) 10.998 6.885 ( -0.465 3.335 -0.000) 3.367 6.933 ( -4.023 3.637 -0.000) 5.424 7.080 ( 1.652 1.303 0.000) 2.104 7.174 ( -0.481 -3.320 0.000) 3.355 7.233 ( -0.359 -2.285 0.000) 2.314 7.282 ( -1.028 -3.039 -0.000) 3.208 14.456 ( -5.841 -4.222 -0.000) 7.207 14.714 ( 6.765 -3.412 0.000) 7.576 14.815 ( -3.119 -4.609 -0.000) 5.566 14.957 ( 3.806 -5.191 0.000) 6.437 16.388 ( -4.110 1.862 -0.000) 4.512 16.455 ( -4.048 6.130 -0.000) 7.346 16.735 ( 2.232 8.277 0.000) 8.572 16.832 ( 1.882 0.482 0.000) 1.942======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.446 ( 4.662 6.766 0.000) 8.216 1.468 ( 1.861 12.882 -0.000) 13.016 1.533 ( 0.972 2.867 0.000) 3.027 1.674 ( -1.408 -7.684 0.000) 7.812 1.792 ( -2.011 -1.121 -0.000) 2.302 2.041 ( -6.678 -11.334 -0.000) 13.155 2.051 ( -7.811 -3.634 -0.000) 8.615 2.424 ( -5.741 -3.728 -0.000) 6.845 2.635 ( 0.614 11.756 -0.000) 11.772 2.927 ( 6.176 3.468 0.000) 7.083 2.962 ( 3.837 -2.631 0.000) 4.652 3.067 ( 2.641 -3.621 0.000) 4.482 3.160 ( 1.056 0.769 0.000) 1.306 3.283 ( 6.840 -5.147 0.000) 8.560 3.846 ( -7.603 -13.508 -0.000) 15.501 4.151 ( 8.180 7.819 0.000) 11.316 4.451 ( 0.792 6.428 -0.000) 6.476 4.919 ( 3.317 11.113 0.000) 11.598 5.717 ( 3.711 -2.508 0.000) 4.479 6.247 ( -6.586 10.222 -0.000) 12.159 6.277 ( 3.490 2.091 0.000) 4.068 6.538 ( 0.561 -7.721 0.000) 7.741 6.909 ( -3.537 1.649 -0.000) 3.902 6.918 ( -1.477 2.037 -0.000) 2.516 7.017 ( -2.102 -4.394 -0.000) 4.871 7.168 ( 0.914 -0.013 0.000) 0.915 7.184 ( 0.156 -2.131 0.000) 2.137 7.205 ( -0.956 -1.909 -0.000) 2.135 14.286 ( -4.606 -2.060 -0.000) 5.045 14.695 ( -1.243 -3.107 -0.000) 3.346 14.774 ( 6.235 -3.838 0.000) 7.322 14.935 ( 4.149 -4.924 0.000) 6.439 16.349 ( -4.330 2.830 -0.000) 5.173 16.478 ( -4.943 5.550 -0.000) 7.432 16.869 ( 1.448 -0.207 0.000) 1.463 16.904 ( -0.641 6.901 -0.000) 6.931======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.527 ( -3.373 3.373 -0.000) 4.771 1.562 ( 3.846 -3.846 0.000) 5.439 1.705 ( 6.121 -6.121 0.000) 8.657 1.727 ( -2.343 2.343 -0.000) 3.313 1.767 ( -1.216 1.216 -0.000) 1.720 1.781 ( -3.256 3.256 -0.000) 4.604 1.810 ( -2.945 2.945 -0.000) 4.165 2.316 ( -1.344 1.344 -0.000) 1.901 2.777 ( -4.491 4.491 -0.000) 6.351 2.964 ( 2.050 -2.050 0.000) 2.899 3.023 ( 2.688 -2.688 0.000) 3.802 3.061 ( 3.662 -3.662 0.000) 5.179 3.202 ( -1.034 1.034 -0.000) 1.462 3.305 ( 7.388 -7.388 0.000) 10.448 3.595 ( 2.793 -2.793 0.000) 3.950 4.341 ( 0.024 -0.024 0.000) 0.033 4.511 ( -1.947 1.947 -0.000) 2.754 5.072 ( -4.490 4.490 -0.000) 6.350 5.731 ( 3.135 -3.135 0.000) 4.433 6.253 ( -5.150 5.150 -0.000) 7.283 6.349 ( 1.001 -1.001 0.000) 1.416 6.488 ( 0.312 -0.312 0.000) 0.441 6.885 ( -1.684 1.684 -0.000) 2.381 6.920 ( -1.609 1.609 -0.000) 2.276 6.932 ( 0.980 -0.980 0.000) 1.386 7.163 ( 0.318 -0.318 0.000) 0.450 7.164 ( 1.165 -1.165 0.000) 1.647 7.190 ( 0.142 -0.142 0.000) 0.201 14.218 ( -1.496 1.496 -0.000) 2.116 14.652 ( 1.047 -1.047 0.000) 1.481 14.799 ( 4.950 -4.950 0.000) 7.001 14.928 ( 4.553 -4.553 0.000) 6.439 16.334 ( -3.749 3.749 -0.000) 5.302 16.484 ( -5.140 5.140 -0.000) 7.269 16.880 ( 0.788 -0.788 0.000) 1.115 16.966 ( -4.167 4.167 -0.000) 5.893======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 230Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.332 ( -0.000 8.521 0.787) 8.558 1.405 ( 0.000 -3.477 -8.165) 8.875 1.481 ( -0.000 11.641 3.362) 12.116 1.721 ( 0.000 -10.159 -9.125) 13.656 1.855 ( -0.000 -0.891 8.961) 9.005 2.173 ( 0.000 -0.839 -2.403) 2.545 2.389 ( -0.000 -6.174 4.849) 7.851 2.557 ( 0.000 -6.081 0.395) 6.094 2.618 ( 0.000 -7.570 -4.270) 8.691 2.723 ( -0.000 3.872 -0.473) 3.901 2.781 ( -0.000 8.457 6.875) 10.898 3.025 ( 0.000 -3.388 0.606) 3.441 3.107 ( -0.000 2.337 -1.059) 2.566 3.197 ( 0.000 -0.703 -0.679) 0.977 3.879 ( 0.000 -1.787 -3.464) 3.898 4.156 ( -0.000 -9.784 8.334) 12.852 4.350 ( 0.000 9.597 -7.869) 12.411 4.804 ( -0.000 18.307 -2.115) 18.429 5.676 ( -0.000 -1.076 4.147) 4.285 6.131 ( 0.000 2.396 -6.617) 7.037 6.433 ( -0.000 14.362 3.336) 14.744 6.469 ( 0.000 -13.409 -4.516) 14.149 6.993 ( -0.000 2.647 3.788) 4.621 7.026 ( -0.000 -1.004 1.975) 2.215 7.057 ( 0.000 -3.927 0.552) 3.965 7.149 ( -0.000 1.142 1.444) 1.842 7.159 ( 0.000 -3.245 -2.257) 3.953 7.223 ( 0.000 -2.556 -0.979) 2.737 14.447 ( 0.000 -2.880 -1.445) 3.222 14.508 ( 0.000 -1.607 -3.550) 3.897 14.857 ( -0.000 -4.447 6.675) 8.021 14.872 ( -0.000 -4.820 7.309) 8.755 16.383 ( 0.000 1.331 -5.516) 5.675 16.520 ( 0.000 5.692 -7.937) 9.767 16.848 ( -0.000 -1.509 2.398) 2.833 16.955 ( -0.000 9.329 2.835) 9.750======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 406Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.328 ( 0.616 -5.257 -10.123) 11.423 1.427 ( 1.136 -4.552 -8.690) 9.876 1.582 ( 0.692 1.792 0.343) 1.951 1.702 ( 1.108 9.839 3.974) 10.669 1.841 ( 1.517 -2.023 8.187) 8.569 2.044 ( -5.124 -5.758 -0.091) 7.708 2.163 ( -6.736 -3.792 5.212) 9.323 2.404 ( -2.609 -5.724 0.476) 6.308 2.604 ( 10.219 -8.130 -6.684) 14.670 2.828 ( 1.900 5.627 1.826) 6.214 2.923 ( 1.050 -1.692 -1.470) 2.475 2.997 ( -2.325 2.799 0.931) 3.756 3.136 ( 3.955 0.422 0.978) 4.096 3.218 ( 0.386 0.981 3.572) 3.725 3.636 ( -0.827 -14.574 0.133) 14.598 4.256 ( 2.331 9.886 0.485) 10.168 4.514 ( -0.557 6.372 -7.698) 10.008 5.134 ( -2.196 15.710 -3.760) 16.302 5.688 ( 0.828 0.619 3.746) 3.886 6.202 ( 2.066 2.133 -5.829) 6.542 6.218 ( 1.661 -12.015 -4.331) 12.880 6.666 ( -3.276 11.973 2.704) 12.704 6.945 ( -1.064 -5.281 0.540) 5.414 6.950 ( -0.711 -4.498 2.012) 4.979 7.022 ( -1.193 1.041 3.621) 3.951 7.103 ( 0.872 -2.669 -1.935) 3.410 7.174 ( 0.109 0.448 1.352) 1.428 7.192 ( 0.010 -0.484 0.178) 0.516 14.362 ( -2.825 -0.835 2.384) 3.789 14.530 ( 3.301 -1.550 -3.898) 5.338 14.713 ( -2.398 -3.833 5.637) 7.226 14.858 ( 4.466 -4.625 7.853) 10.149 16.382 ( -2.435 1.929 -5.301) 6.144 16.629 ( 0.435 3.874 -4.317) 5.817 16.814 ( -0.191 -1.332 -1.443) 1.973 17.113 ( -2.870 9.039 -0.081) 9.484======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 230Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.250 ( 5.042 -5.042 -10.050) 12.322 1.384 ( 2.544 -2.544 -13.537) 14.007 1.657 ( 2.421 -2.421 9.879) 10.455 1.776 ( -0.756 0.756 -0.442) 1.157 1.927 ( -2.863 2.863 2.248) 4.631 1.934 ( 0.833 -0.833 6.262) 6.372 1.981 ( -4.115 4.115 5.386) 7.930 2.303 ( 1.074 -1.074 -0.421) 1.576 2.634 ( 10.088 -10.088 -8.911) 16.821 2.888 ( 1.602 -1.602 -0.365) 2.295 2.952 ( 1.152 -1.152 -1.226) 2.040 2.965 ( -2.903 2.903 2.196) 4.656 3.167 ( 2.232 -2.232 3.702) 4.865 3.286 ( -1.533 1.533 2.061) 2.992 3.446 ( 5.494 -5.494 2.170) 8.067 4.418 ( -3.750 3.750 -2.179) 5.734 4.557 ( -3.203 3.203 -7.192) 8.499 5.273 ( -9.109 9.109 -5.492) 14.004 5.706 ( -0.254 0.254 3.467) 3.485 6.103 ( 7.264 -7.264 -3.591) 10.883 6.264 ( 0.308 -0.308 -5.256) 5.274 6.753 ( -7.487 7.487 2.336) 10.843 6.866 ( 1.835 -1.835 0.179) 2.601 6.887 ( 2.483 -2.483 2.461) 4.288 7.011 ( -0.562 0.562 2.527) 2.649 7.090 ( 1.346 -1.346 -0.737) 2.041 7.175 ( -0.321 0.321 0.554) 0.716 7.192 ( 0.332 -0.332 1.410) 1.486 14.325 ( -1.349 1.349 4.482) 4.871 14.552 ( 2.286 -2.286 -3.914) 5.077 14.645 ( 1.080 -1.080 4.090) 4.366 14.857 ( 4.625 -4.625 8.098) 10.410 16.376 ( -2.446 2.446 -5.236) 6.276 16.673 ( -1.829 1.829 -0.064) 2.588 16.797 ( 0.884 -0.884 -5.119) 5.269 17.177 ( -6.674 6.674 -1.431) 9.546======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 225Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.979 ( 0.000 -7.375 -12.279) 14.324 1.037 ( 0.000 -10.957 -11.347) 15.774 1.692 ( -0.000 6.292 0.746) 6.336 1.859 ( 0.000 -4.962 -5.714) 7.568 1.972 ( -0.000 8.086 6.957) 10.667 1.979 ( 0.000 -2.441 -1.865) 3.072 2.167 ( 0.000 -8.492 -0.161) 8.493 2.275 ( -0.000 -7.067 8.747) 11.245 2.344 ( -0.000 -6.322 3.567) 7.259 2.875 ( 0.000 -0.245 -1.079) 1.107 2.889 ( 0.000 -1.446 -2.242) 2.668 2.993 ( -0.000 0.714 3.486) 3.559 3.245 ( -0.000 5.210 1.310) 5.372 3.303 ( -0.000 -0.673 5.074) 5.118 3.418 ( 0.000 -6.900 -0.452) 6.915 4.343 ( 0.000 6.351 -7.888) 10.127 4.414 ( 0.000 4.659 -15.125) 15.826 5.414 ( -0.000 15.189 -3.847) 15.668 5.802 ( -0.000 -1.061 2.009) 2.272 5.861 ( 0.000 -7.444 -1.612) 7.617 6.110 ( 0.000 3.266 -6.965) 7.693 6.824 ( 0.000 -4.792 0.056) 4.792 6.861 ( 0.000 -7.322 1.165) 7.414 6.966 ( 0.000 -3.110 -4.079) 5.129 6.988 ( -0.000 7.115 3.328) 7.855 7.141 ( -0.000 0.802 4.546) 4.616 7.202 ( -0.000 0.471 1.778) 1.839 7.226 ( -0.000 -0.273 3.335) 3.346 14.446 ( -0.000 0.731 5.320) 5.370 14.509 ( -0.000 2.555 2.519) 3.588 14.835 ( -0.000 -4.601 9.593) 10.639 14.850 ( -0.000 -4.223 8.470) 9.465 16.345 ( 0.000 2.063 -5.304) 5.691 16.540 ( 0.000 3.829 -9.965) 10.676 16.718 ( 0.000 -3.866 -4.861) 6.211 17.270 ( 0.000 7.197 -4.290) 8.378======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 225Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.862 ( 3.949 -3.949 -12.255) 13.468 0.940 ( 6.142 -6.142 -13.427) 15.992 1.804 ( -0.822 0.822 -2.497) 2.754 1.834 ( 2.367 -2.367 -15.263) 15.626 1.839 ( -1.772 1.772 10.354) 10.653 2.091 ( -2.296 2.296 4.134) 5.257 2.132 ( 6.879 -6.879 3.021) 10.186 2.185 ( 0.862 -0.862 7.567) 7.665 2.244 ( 2.988 -2.988 3.193) 5.297 2.829 ( 0.239 -0.239 -1.339) 1.381 2.893 ( 0.800 -0.800 -0.794) 1.382 3.008 ( 4.136 -4.136 5.119) 7.773 3.253 ( -2.231 2.231 4.171) 5.230 3.340 ( 0.306 -0.306 -0.991) 1.081 3.362 ( -0.534 0.534 1.496) 1.676 4.433 ( -2.959 2.959 -12.406) 13.093 4.458 ( -2.280 2.280 -15.105) 15.445 5.554 ( -8.296 8.296 -3.841) 12.344 5.741 ( 5.721 -5.721 -4.126) 9.083 5.853 ( -2.513 2.513 5.088) 6.207 6.163 ( -0.744 0.744 -5.954) 6.046 6.736 ( 2.775 -2.775 -0.661) 3.980 6.787 ( 4.675 -4.675 1.685) 6.822 6.932 ( 1.563 -1.563 -4.078) 4.639 7.066 ( -4.104 4.104 2.944) 6.507 7.146 ( -0.376 0.376 4.517) 4.549 7.210 ( -0.087 0.087 2.610) 2.613 7.219 ( 0.395 -0.395 2.997) 3.049 14.455 ( -0.477 0.477 6.415) 6.450 14.554 ( -1.472 1.472 4.072) 4.574 14.729 ( 0.486 -0.486 8.135) 8.164 14.842 ( 4.451 -4.451 9.178) 11.130 16.364 ( -1.937 1.937 -4.960) 5.666 16.629 ( 0.279 -0.279 -6.825) 6.837 16.632 ( 0.586 -0.586 -9.084) 9.122 17.347 ( -4.542 4.542 -4.803) 8.021======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.521 ( 0.000 -0.000 -13.925) 13.925 0.521 ( 0.000 -0.000 -13.925) 13.925 1.234 ( 0.000 -0.000 -31.177) 31.177 1.773 ( 0.000 -0.000 -5.495) 5.495 2.064 ( 0.000 -0.000 -2.389) 2.389 2.178 ( -0.000 0.000 13.151) 13.151 2.178 ( -0.000 0.000 13.151) 13.151 2.319 ( -0.000 0.000 7.862) 7.862 2.319 ( -0.000 0.000 7.862) 7.862 2.874 ( -0.000 0.000 0.768) 0.768 2.874 ( -0.000 0.000 0.768) 0.768 2.928 ( -0.000 0.000 4.165) 4.165 3.310 ( 0.000 -0.000 -2.650) 2.650 3.310 ( 0.000 -0.000 -2.650) 2.650 3.473 ( -0.000 0.000 5.801) 5.801 4.182 ( 0.000 -0.000 -18.015) 18.015 4.182 ( 0.000 -0.000 -18.015) 18.015 5.547 ( 0.000 -0.000 -2.396) 2.396 5.700 ( 0.000 -0.000 -2.816) 2.816 6.022 ( -0.000 0.000 5.894) 5.894 6.092 ( 0.000 -0.000 -4.790) 4.790 6.653 ( 0.000 -0.000 -1.328) 1.328 6.653 ( 0.000 -0.000 -1.328) 1.328 6.809 ( 0.000 -0.000 -5.147) 5.147 7.192 ( -0.000 0.000 2.126) 2.126 7.237 ( -0.000 0.000 3.809) 3.809 7.273 ( -0.000 0.000 3.508) 3.508 7.273 ( -0.000 0.000 3.508) 3.508 14.614 ( -0.000 0.000 7.901) 7.901 14.707 ( -0.000 0.000 5.419) 5.419 14.899 ( -0.000 0.000 10.412) 10.412 14.899 ( -0.000 0.000 10.412) 10.412 16.341 ( 0.000 -0.000 -3.699) 3.699 16.427 ( 0.000 -0.000 -11.102) 11.102 16.427 ( 0.000 -0.000 -11.102) 11.102 17.354 ( 0.000 -0.000 -5.045) 5.045======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 230Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.517 ( 1.942 1.942 -3.753) 4.650 1.521 ( 7.592 7.592 -3.738) 11.369 1.553 ( 4.230 4.230 2.456) 6.466 1.681 ( -2.971 -2.971 1.879) 4.602 1.795 ( 0.604 0.604 -3.526) 3.628 1.888 ( -6.198 -6.198 -4.512) 9.859 1.972 ( -6.789 -6.789 5.226) 10.931 1.986 ( -2.978 -2.978 8.039) 9.075 2.777 ( 3.290 3.290 -8.546) 9.731 2.955 ( -0.096 -0.096 6.775) 6.777 3.060 ( 0.421 0.421 -1.274) 1.406 3.080 ( 1.262 1.262 1.230) 2.168 3.321 ( 0.763 0.763 -6.503) 6.592 3.458 ( 0.688 0.688 6.757) 6.827 4.096 ( -0.674 -0.674 -16.501) 16.528 4.365 ( 3.361 3.361 6.956) 8.425 4.407 ( 2.243 2.243 -1.077) 3.349 4.511 ( -1.518 -1.518 11.124) 11.329 6.023 ( 0.892 0.892 -6.857) 6.972 6.157 ( 1.985 1.985 8.321) 8.782 6.235 ( 1.764 1.764 -10.608) 10.897 6.460 ( -2.808 -2.808 7.829) 8.779 6.823 ( -0.197 -0.197 -3.481) 3.492 6.909 ( -2.183 -2.183 2.979) 4.291 7.027 ( 0.080 0.080 -5.325) 5.326 7.126 ( -0.545 -0.545 4.032) 4.105 7.186 ( 0.286 0.286 0.043) 0.407 7.197 ( -0.796 -0.796 0.211) 1.146 14.390 ( -0.186 -0.186 -10.060) 10.064 14.625 ( -0.013 -0.013 13.511) 13.511 14.826 ( -1.835 -1.835 -6.273) 6.789 14.929 ( 0.120 0.120 6.968) 6.970 16.482 ( 0.191 0.191 -10.943) 10.946 16.524 ( 0.256 0.256 -10.310) 10.317 16.614 ( 4.070 4.070 9.848) 11.407 16.782 ( -4.056 -4.056 7.136) 9.155======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.123 ( -0.000 11.671 -0.000) 11.671 1.200 ( -0.000 13.542 -0.000) 13.542 1.528 ( 0.000 -0.843 0.000) 0.843 1.777 ( 0.000 -1.588 0.000) 1.588 1.986 ( -0.000 0.377 -0.000) 0.377 2.096 ( -0.000 4.468 -0.000) 4.468 2.524 ( 0.000 -7.197 0.000) 7.197 2.524 ( -0.000 2.760 -0.000) 2.760 2.681 ( -0.000 2.234 -0.000) 2.234 2.692 ( 0.000 -7.809 0.000) 7.809 2.763 ( 0.000 -3.418 0.000) 3.418 3.066 ( -0.000 2.926 -0.000) 2.926 3.114 ( 0.000 -5.038 0.000) 5.038 3.222 ( 0.000 -0.444 0.000) 0.444 3.761 ( -0.000 7.445 -0.000) 7.445 4.230 ( -0.000 10.665 -0.000) 10.665 4.441 ( -0.000 19.712 -0.000) 19.712 4.461 ( 0.000 -22.154 0.000) 22.154 5.680 ( 0.000 -3.393 0.000) 3.393 6.112 ( -0.000 14.364 -0.000) 14.364 6.166 ( -0.000 1.350 -0.000) 1.350 6.757 ( 0.000 -11.555 0.000) 11.555 6.890 ( -0.000 3.646 -0.000) 3.646 6.988 ( -0.000 2.789 -0.000) 2.789 7.048 ( -0.000 2.763 -0.000) 2.763 7.179 ( 0.000 -3.782 0.000) 3.782 7.236 ( 0.000 -2.434 0.000) 2.434 7.292 ( 0.000 -3.065 0.000) 3.065 14.555 ( 0.000 -4.715 0.000) 4.715 14.605 ( 0.000 -2.870 0.000) 2.870 14.876 ( 0.000 -4.866 0.000) 4.866 14.889 ( 0.000 -5.488 0.000) 5.488 16.433 ( -0.000 0.725 -0.000) 0.725 16.500 ( -0.000 6.005 -0.000) 6.005 16.709 ( -0.000 10.020 -0.000) 10.020 16.809 ( -0.000 0.642 -0.000) 0.642======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 246Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.357 ( 3.327 8.149 0.000) 8.802 1.448 ( 0.369 12.071 -0.000) 12.077 1.526 ( 0.450 0.829 0.000) 0.943 1.710 ( -2.015 -6.047 -0.000) 6.374 1.818 ( -0.530 -6.165 0.000) 6.187 2.162 ( -3.497 -1.109 -0.000) 3.669 2.205 ( -9.542 -10.600 -0.000) 14.262 2.518 ( -3.615 -5.788 -0.000) 6.824 2.649 ( -2.169 11.518 -0.000) 11.721 2.811 ( 10.652 -5.700 0.000) 12.081 2.813 ( 5.425 5.479 0.000) 7.710 3.027 ( 0.885 -4.747 0.000) 4.828 3.137 ( 1.139 1.847 0.000) 2.170 3.206 ( 1.677 -2.791 0.000) 3.256 3.978 ( -5.343 -18.557 -0.000) 19.311 4.014 ( 5.343 11.127 0.000) 12.343 4.437 ( 0.600 8.795 -0.000) 8.815 4.853 ( 3.016 16.315 -0.000) 16.591 5.658 ( 2.162 -1.468 0.000) 2.614 6.220 ( 2.097 2.126 0.000) 2.986 6.355 ( -4.231 12.142 -0.000) 12.858 6.525 ( 0.796 -10.309 0.000) 10.340 6.943 ( -0.972 2.527 -0.000) 2.708 6.972 ( -2.807 -0.089 -0.000) 2.808 7.046 ( -0.750 -4.428 0.000) 4.491 7.148 ( 0.974 0.417 0.000) 1.060 7.182 ( 0.084 -2.891 0.000) 2.892 7.223 ( -0.809 -2.483 -0.000) 2.612 14.385 ( -5.386 -2.970 -0.000) 6.150 14.649 ( 6.335 -3.210 0.000) 7.102 14.730 ( -2.305 -4.146 -0.000) 4.744 14.856 ( 3.940 -5.111 0.000) 6.453 16.419 ( -2.636 1.378 -0.000) 2.975 16.567 ( -3.802 5.296 -0.000) 6.520 16.837 ( 1.632 0.038 0.000) 1.633 16.913 ( -0.334 9.836 -0.000) 9.842======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 246Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.518 ( 0.603 -7.268 0.000) 7.293 1.534 ( 4.490 2.054 0.000) 4.937 1.586 ( 1.724 1.298 0.000) 2.158 1.695 ( 2.263 8.670 0.000) 8.961 1.782 ( 1.249 0.618 0.000) 1.394 1.868 ( -7.034 -4.788 -0.000) 8.509 1.981 ( -8.799 -3.345 -0.000) 9.414 2.357 ( -2.493 -3.068 -0.000) 3.953 2.823 ( -0.099 7.644 -0.000) 7.645 2.897 ( 8.261 -4.801 0.000) 9.554 2.958 ( 3.078 -6.232 0.000) 6.951 2.979 ( 1.017 0.960 0.000) 1.399 3.195 ( 3.759 -3.853 0.000) 5.383 3.196 ( 1.380 3.260 0.000) 3.540 3.593 ( -1.876 -11.547 0.000) 11.698 4.308 ( 2.895 7.864 0.000) 8.380 4.552 ( -2.234 4.126 -0.000) 4.692 5.140 ( -2.444 10.889 -0.000) 11.160 5.680 ( 2.059 -1.192 0.000) 2.379 6.283 ( 0.947 -6.734 0.000) 6.800 6.311 ( 2.556 1.234 0.000) 2.839 6.550 ( -5.233 8.986 -0.000) 10.399 6.907 ( -0.870 -1.656 -0.000) 1.870 6.931 ( -0.537 -4.136 0.000) 4.171 6.952 ( -1.665 1.441 -0.000) 2.203 7.142 ( 1.079 -2.088 0.000) 2.350 7.164 ( -0.087 0.038 -0.000) 0.095 7.187 ( -0.004 -0.393 0.000) 0.393 14.266 ( -3.318 -0.031 -0.000) 3.318 14.641 ( -0.039 -2.336 0.000) 2.336 14.696 ( 5.445 -4.078 0.000) 6.803 14.840 ( 4.384 -4.809 0.000) 6.507 16.400 ( -2.847 2.263 -0.000) 3.637 16.580 ( -4.629 4.819 -0.000) 6.682 16.861 ( 1.223 -0.597 0.000) 1.361 17.047 ( -3.916 7.608 -0.000) 8.557======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 225Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.328 ( 0.000 -4.596 -11.755) 12.622 1.408 ( 0.000 -4.031 -5.464) 6.790 1.583 ( 0.000 -0.758 -2.039) 2.175 1.691 ( -0.000 9.357 4.250) 10.277 1.818 ( -0.000 -2.305 9.746) 10.015 2.106 ( 0.000 -5.100 -2.693) 5.767 2.253 ( -0.000 -6.247 7.055) 9.423 2.431 ( 0.000 -6.902 1.267) 7.018 2.467 ( 0.000 -7.492 -6.843) 10.147 2.808 ( -0.000 4.734 1.527) 4.974 2.914 ( 0.000 0.683 -2.025) 2.137 3.044 ( -0.000 7.984 4.638) 9.233 3.073 ( 0.000 -4.369 -2.565) 5.066 3.215 ( -0.000 0.910 3.599) 3.712 3.645 ( 0.000 -15.097 -0.942) 15.126 4.232 ( -0.000 10.710 0.719) 10.734 4.520 ( 0.000 7.725 -8.670) 11.613 5.156 ( -0.000 17.393 -2.408) 17.559 5.680 ( -0.000 1.507 3.770) 4.060 6.180 ( 0.000 2.609 -5.984) 6.528 6.201 ( 0.000 -13.788 -4.679) 14.560 6.698 ( -0.000 12.374 2.450) 12.614 6.956 ( 0.000 -5.663 0.855) 5.727 6.958 ( 0.000 -5.653 2.176) 6.057 7.036 ( -0.000 1.624 3.789) 4.123 7.092 ( 0.000 -3.497 -2.286) 4.178 7.172 ( -0.000 0.797 1.817) 1.984 7.193 ( 0.000 -0.758 -0.341) 0.831 14.400 ( 0.000 -1.938 0.752) 2.079 14.488 ( 0.000 -0.396 -2.302) 2.336 14.769 ( -0.000 -4.514 6.726) 8.100 14.781 ( -0.000 -4.500 7.670) 8.893 16.408 ( 0.000 1.243 -4.651) 4.814 16.622 ( 0.000 4.578 -7.289) 8.608 16.817 ( 0.000 -1.597 -0.210) 1.611 17.142 ( -0.000 9.689 0.225) 9.692======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 405Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.196 ( 0.334 -7.040 -11.276) 13.297 1.317 ( 4.132 -5.953 -13.278) 15.126 1.618 ( 0.703 0.149 9.055) 9.083 1.761 ( 2.603 -2.240 8.372) 9.049 1.907 ( 0.910 7.092 2.630) 7.618 1.964 ( -2.889 -1.363 0.174) 3.199 2.106 ( -5.352 -2.133 3.715) 6.855 2.295 ( -0.068 -5.136 0.778) 5.195 2.442 ( 8.765 -7.851 -10.061) 15.482 2.879 ( -0.539 -2.056 -0.861) 2.293 2.911 ( 1.943 2.580 1.178) 3.438 2.994 ( 0.970 -2.620 -0.628) 2.863 3.152 ( -1.158 -1.778 5.634) 6.020 3.263 ( 2.869 4.671 2.224) 5.916 3.419 ( -1.009 -6.682 0.063) 6.758 4.457 ( -0.683 9.999 -3.981) 10.784 4.620 ( -2.836 4.490 -8.630) 10.133 5.417 ( -5.370 12.894 -3.434) 14.383 5.720 ( -0.947 2.522 3.272) 4.238 5.986 ( 4.480 -10.903 -3.777) 12.378 6.245 ( 1.284 1.738 -5.144) 5.579 6.819 ( -0.004 -3.083 -0.163) 3.087 6.845 ( 1.537 -5.166 2.233) 5.834 6.893 ( -3.384 6.127 2.963) 7.601 7.021 ( -0.477 -1.352 0.008) 1.433 7.068 ( 0.861 -0.567 1.576) 1.883 7.179 ( -0.030 0.066 0.987) 0.990 7.185 ( 0.276 -0.379 1.093) 1.189 14.354 ( -1.418 -0.094 3.526) 3.802 14.511 ( 1.763 -0.395 -1.677) 2.465 14.646 ( -1.219 -2.847 4.885) 5.784 14.768 ( 4.359 -4.512 7.903) 10.090 16.416 ( -1.498 1.505 -4.163) 4.674 16.694 ( -0.408 2.726 -3.864) 4.746 16.787 ( 0.135 -1.344 -3.759) 3.995 17.284 ( -3.992 8.054 -1.651) 9.139======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 230Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.844 ( 0.000 -5.866 -13.367) 14.597 0.854 ( 0.000 -7.160 -12.979) 14.823 1.790 ( 0.000 -1.619 -16.305) 16.385 1.802 ( -0.000 5.009 2.149) 5.451 1.941 ( -0.000 -1.774 3.215) 3.672 1.983 ( -0.000 -6.566 7.256) 9.785 2.137 ( -0.000 5.069 5.063) 7.165 2.155 ( -0.000 -4.652 3.096) 5.587 2.239 ( -0.000 -4.185 4.597) 6.217 2.845 ( 0.000 -1.549 -0.880) 1.782 2.870 ( 0.000 -0.227 -0.167) 0.282 2.952 ( -0.000 -5.202 4.712) 7.019 3.291 ( -0.000 1.876 5.749) 6.048 3.325 ( -0.000 2.899 -1.152) 3.120 3.374 ( 0.000 -0.718 0.146) 0.733 4.459 ( 0.000 4.852 -13.854) 14.679 4.485 ( 0.000 2.513 -16.044) 16.240 5.660 ( -0.000 9.422 -3.253) 9.968 5.661 ( 0.000 -6.708 -3.512) 7.572 5.883 ( -0.000 2.942 5.154) 5.934 6.167 ( 0.000 2.362 -6.092) 6.534 6.719 ( 0.000 -4.881 0.163) 4.884 6.727 ( 0.000 -5.793 0.762) 5.843 6.916 ( 0.000 -1.845 -4.136) 4.529 7.106 ( -0.000 4.337 2.690) 5.103 7.151 ( -0.000 0.331 4.635) 4.647 7.208 ( -0.000 0.155 2.615) 2.620 7.217 ( -0.000 -0.584 3.103) 3.157 14.460 ( -0.000 0.578 6.870) 6.894 14.566 ( -0.000 3.097 4.214) 5.230 14.754 ( -0.000 -3.353 9.024) 9.627 14.768 ( -0.000 -3.902 8.552) 9.400 16.386 ( 0.000 1.891 -4.289) 4.687 16.599 ( 0.000 2.129 -9.442) 9.679 16.651 ( 0.000 -2.793 -7.511) 8.013 17.394 ( 0.000 5.034 -4.812) 6.964======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.325 ( -0.000 8.770 -0.000) 8.770 1.446 ( -0.000 11.514 -0.000) 11.514 1.520 ( 0.000 -0.086 0.000) 0.086 1.735 ( 0.000 -3.030 0.000) 3.030 1.819 ( 0.000 -10.528 0.000) 10.528 2.194 ( -0.000 0.518 -0.000) 0.518 2.339 ( 0.000 -10.637 0.000) 10.637 2.556 ( 0.000 -6.695 0.000) 6.695 2.660 ( 0.000 -6.365 0.000) 6.365 2.705 ( -0.000 13.950 -0.000) 13.950 2.727 ( -0.000 2.702 -0.000) 2.702 3.021 ( 0.000 -4.321 0.000) 4.321 3.124 ( -0.000 2.698 -0.000) 2.698 3.192 ( 0.000 -2.695 0.000) 2.695 3.959 ( -0.000 12.344 -0.000) 12.344 4.034 ( 0.000 -21.192 0.000) 21.192 4.431 ( -0.000 9.708 -0.000) 9.708 4.820 ( -0.000 18.981 -0.000) 18.981 5.636 ( 0.000 -0.968 0.000) 0.968 6.199 ( -0.000 2.017 -0.000) 2.017 6.400 ( -0.000 14.765 -0.000) 14.765 6.514 ( 0.000 -13.187 0.000) 13.187 6.953 ( -0.000 2.758 -0.000) 2.758 7.005 ( 0.000 -1.304 0.000) 1.304 7.049 ( 0.000 -3.653 0.000) 3.653 7.137 ( -0.000 0.420 -0.000) 0.420 7.181 ( 0.000 -3.214 0.000) 3.214 7.232 ( 0.000 -2.672 0.000) 2.672 14.468 ( 0.000 -4.130 0.000) 4.130 14.557 ( 0.000 -2.032 0.000) 2.032 14.784 ( 0.000 -5.184 0.000) 5.184 14.785 ( 0.000 -4.482 0.000) 4.482 16.446 ( -0.000 0.600 -0.000) 0.600 16.609 ( -0.000 5.062 -0.000) 5.062 16.817 ( -0.000 0.161 -0.000) 0.161 16.917 ( -0.000 11.113 -0.000) 11.113======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 243Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.464 ( 1.742 2.150 0.000) 2.767 1.538 ( -2.492 -8.689 -0.000) 9.039 1.549 ( 2.507 1.314 0.000) 2.830 1.656 ( 1.904 4.512 0.000) 4.897 1.739 ( 2.774 0.013 0.000) 2.774 2.029 ( -8.746 -6.508 -0.000) 10.901 2.119 ( -5.016 -2.648 -0.000) 5.671 2.401 ( -1.805 -6.096 -0.000) 6.357 2.682 ( 11.326 -7.041 0.000) 13.336 2.803 ( 1.303 5.114 0.000) 5.277 2.943 ( -0.244 -3.646 0.000) 3.654 2.979 ( -0.364 9.260 -0.000) 9.267 3.140 ( 2.040 -3.979 0.000) 4.471 3.167 ( 1.191 1.393 0.000) 1.833 3.636 ( -1.993 -15.349 0.000) 15.478 4.251 ( 2.524 12.707 -0.000) 12.955 4.590 ( -1.473 6.870 -0.000) 7.026 5.170 ( -0.796 15.650 -0.000) 15.670 5.652 ( 0.830 0.847 0.000) 1.186 6.259 ( 1.073 -12.290 0.000) 12.336 6.263 ( 2.058 2.105 0.000) 2.944 6.640 ( -3.434 12.348 -0.000) 12.817 6.924 ( -0.816 -4.475 0.000) 4.549 6.942 ( -0.445 -5.827 0.000) 5.844 6.982 ( -1.306 1.472 -0.000) 1.967 7.123 ( 0.831 -3.000 0.000) 3.113 7.160 ( 0.377 0.598 0.000) 0.707 7.192 ( -0.382 -0.903 -0.000) 0.980 14.341 ( -4.060 -1.626 -0.000) 4.374 14.591 ( 5.043 -2.648 0.000) 5.696 14.655 ( -1.368 -3.451 -0.000) 3.712 14.760 ( 3.747 -4.685 0.000) 5.999 16.442 ( -1.472 0.974 -0.000) 1.765 16.659 ( -3.279 4.111 -0.000) 5.259 16.834 ( 1.397 -0.317 0.000) 1.433 17.111 ( -2.437 10.177 -0.000) 10.465======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.406 ( 3.817 -3.817 0.000) 5.398 1.498 ( 4.013 -4.013 0.000) 5.675 1.596 ( 0.450 -0.450 0.000) 0.636 1.687 ( 4.910 -4.910 0.000) 6.944 1.873 ( -3.851 3.851 -0.000) 5.446 1.907 ( -3.060 3.060 -0.000) 4.327 1.938 ( -3.365 3.365 -0.000) 4.759 2.309 ( 1.693 -1.693 0.000) 2.395 2.738 ( 9.876 -9.876 0.000) 13.966 2.892 ( 1.298 -1.298 0.000) 1.835 2.944 ( -2.774 2.774 -0.000) 3.924 2.959 ( 0.350 -0.350 0.000) 0.495 3.123 ( 3.638 -3.638 0.000) 5.144 3.265 ( -2.151 2.151 -0.000) 3.042 3.425 ( 4.699 -4.699 0.000) 6.646 4.438 ( -4.891 4.891 -0.000) 6.917 4.627 ( -3.897 3.897 -0.000) 5.511 5.329 ( -8.176 8.176 -0.000) 11.563 5.672 ( -0.377 0.377 -0.000) 0.534 6.137 ( 7.098 -7.098 0.000) 10.038 6.319 ( 0.512 -0.512 0.000) 0.725 6.731 ( -8.298 8.298 -0.000) 11.735 6.862 ( 2.470 -2.816 0.000) 3.745 6.862 ( 2.773 -2.428 0.000) 3.686 6.977 ( -1.185 1.185 -0.000) 1.676 7.103 ( 1.884 -1.884 0.000) 2.664 7.170 ( -0.321 0.321 -0.000) 0.454 7.179 ( 0.367 -0.367 0.000) 0.519 14.282 ( -1.570 1.570 -0.000) 2.221 14.606 ( 1.184 -1.184 0.000) 1.674 14.617 ( 3.933 -3.933 0.000) 5.562 14.750 ( 4.305 -4.305 0.000) 6.088 16.436 ( -1.488 1.488 -0.000) 2.104 16.665 ( -3.790 3.790 -0.000) 5.360 16.846 ( 0.915 -0.915 0.000) 1.293 17.191 ( -6.756 6.756 -0.000) 9.555======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 230Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.219 ( 0.000 -6.398 -13.308) 14.766 1.249 ( 0.000 -9.120 -11.124) 14.384 1.620 ( -0.000 1.612 6.829) 7.017 1.722 ( -0.000 -3.882 12.726) 13.305 1.898 ( -0.000 8.400 2.767) 8.844 2.007 ( 0.000 -4.073 -1.285) 4.271 2.161 ( -0.000 -3.274 3.606) 4.870 2.298 ( 0.000 -6.419 1.407) 6.572 2.341 ( 0.000 -5.153 -11.840) 12.913 2.890 ( -0.000 2.791 2.543) 3.775 2.893 ( 0.000 -1.338 -0.779) 1.549 2.969 ( 0.000 -6.000 -1.813) 6.268 3.183 ( -0.000 -4.232 7.054) 8.226 3.218 ( -0.000 8.092 1.250) 8.188 3.433 ( 0.000 -5.430 -0.751) 5.482 4.461 ( -0.000 11.924 -4.488) 12.740 4.650 ( 0.000 5.597 -9.431) 10.967 5.472 ( -0.000 14.673 -2.160) 14.831 5.731 ( -0.000 3.475 3.173) 4.705 5.940 ( 0.000 -12.627 -4.029) 13.254 6.230 ( 0.000 2.410 -5.234) 5.762 6.818 ( 0.000 -5.154 0.286) 5.161 6.828 ( 0.000 -7.111 2.044) 7.398 6.929 ( -0.000 7.844 2.795) 8.327 7.026 ( 0.000 -3.080 -2.268) 3.825 7.059 ( -0.000 0.786 3.739) 3.821 7.179 ( -0.000 -0.027 1.638) 1.638 7.183 ( -0.000 -0.430 0.437) 0.613 14.370 ( -0.000 -1.076 2.691) 2.898 14.492 ( 0.000 0.690 -0.637) 0.939 14.685 ( -0.000 -4.001 6.005) 7.216 14.698 ( -0.000 -3.891 7.159) 8.148 16.431 ( 0.000 1.071 -3.473) 3.634 16.696 ( 0.000 3.035 -6.192) 6.896 16.787 ( 0.000 -1.445 -2.518) 2.903 17.324 ( -0.000 8.585 -1.704) 8.753======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 230Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.093 ( 2.821 -2.821 -12.413) 13.038 1.194 ( 6.301 -6.301 -13.636) 16.289 1.606 ( 0.196 -0.196 13.264) 13.267 1.705 ( 3.553 -3.553 11.518) 12.567 1.946 ( -0.963 0.963 -2.647) 2.976 2.040 ( -2.822 2.822 1.943) 4.439 2.087 ( -1.202 1.202 3.633) 4.012 2.214 ( 2.812 -2.812 0.398) 3.997 2.317 ( 4.617 -4.617 -15.059) 16.414 2.850 ( 0.788 -0.788 -1.006) 1.502 2.912 ( 1.620 -1.620 -1.402) 2.686 2.928 ( 4.016 -4.016 3.379) 6.609 3.121 ( -0.190 0.190 8.900) 8.904 3.352 ( -1.483 1.483 0.073) 2.099 3.353 ( -0.688 0.688 -0.480) 1.085 4.619 ( -5.791 5.791 -7.065) 10.816 4.694 ( -3.232 3.232 -9.361) 10.417 5.622 ( -7.727 7.727 -3.116) 11.364 5.775 ( -2.680 2.680 3.015) 4.843 5.806 ( 7.071 -7.071 -2.561) 10.322 6.267 ( -0.567 0.567 -4.681) 4.749 6.734 ( 3.533 -3.533 0.705) 5.046 6.749 ( 4.075 -4.075 2.089) 6.129 6.991 ( 1.301 -1.301 -1.998) 2.716 7.018 ( -4.625 4.625 2.050) 6.855 7.066 ( -0.082 0.082 3.546) 3.548 7.177 ( 0.194 -0.194 0.946) 0.985 7.178 ( 0.309 -0.309 1.341) 1.410 14.355 ( -0.103 0.103 3.938) 3.941 14.511 ( -0.188 0.188 0.510) 0.575 14.609 ( 0.698 -0.698 4.476) 4.583 14.686 ( 3.777 -3.777 7.002) 8.807 16.440 ( -0.881 0.881 -2.905) 3.161 16.732 ( -1.115 1.115 -4.000) 4.300 16.767 ( 0.602 -0.602 -5.039) 5.111 17.413 ( -4.863 4.863 -2.363) 7.272======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 75Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.780 ( 0.000 -0.000 -13.835) 13.835 0.780 ( 0.000 -0.000 -13.835) 13.835 1.785 ( 0.000 -0.000 -27.528) 27.528 1.876 ( 0.000 -0.000 -5.207) 5.207 1.902 ( -0.000 0.000 15.649) 15.649 1.902 ( -0.000 0.000 15.649) 15.649 2.108 ( 0.000 -0.000 -2.187) 2.187 2.195 ( -0.000 0.000 5.530) 5.530 2.195 ( -0.000 0.000 5.530) 5.530 2.848 ( -0.000 0.000 4.096) 4.096 2.867 ( -0.000 0.000 0.111) 0.111 2.867 ( -0.000 0.000 0.111) 0.111 3.334 ( -0.000 0.000 9.112) 9.112 3.354 ( 0.000 -0.000 -1.975) 1.975 3.354 ( 0.000 -0.000 -1.975) 1.975 4.510 ( 0.000 -0.000 -16.337) 16.337 4.510 ( 0.000 -0.000 -16.337) 16.337 5.592 ( 0.000 -0.000 -2.282) 2.282 5.757 ( 0.000 -0.000 -3.107) 3.107 5.918 ( -0.000 0.000 4.989) 4.989 6.193 ( 0.000 -0.000 -5.732) 5.732 6.665 ( -0.000 0.000 0.315) 0.315 6.665 ( -0.000 0.000 0.315) 0.315 6.898 ( 0.000 -0.000 -4.156) 4.156 7.149 ( -0.000 0.000 2.353) 2.353 7.155 ( -0.000 0.000 4.790) 4.790 7.209 ( -0.000 0.000 2.912) 2.912 7.209 ( -0.000 0.000 2.912) 2.912 14.466 ( -0.000 0.000 7.438) 7.438 14.608 ( -0.000 0.000 4.907) 4.907 14.719 ( -0.000 0.000 8.440) 8.440 14.719 ( -0.000 0.000 8.440) 8.440 16.407 ( 0.000 -0.000 -3.228) 3.228 16.620 ( 0.000 -0.000 -9.091) 9.091 16.620 ( 0.000 -0.000 -9.091) 9.091 17.446 ( 0.000 -0.000 -4.565) 4.565======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.455 ( -0.000 4.245 -0.000) 4.245 1.514 ( 0.000 -0.775 0.000) 0.775 1.594 ( 0.000 -1.940 0.000) 1.940 1.612 ( 0.000 -10.396 0.000) 10.396 1.705 ( -0.000 5.579 -0.000) 5.579 2.143 ( 0.000 -8.704 0.000) 8.704 2.169 ( 0.000 -2.115 0.000) 2.115 2.420 ( 0.000 -7.153 0.000) 7.153 2.541 ( 0.000 -5.268 0.000) 5.268 2.789 ( -0.000 3.555 -0.000) 3.555 2.949 ( 0.000 -3.048 0.000) 3.048 2.982 ( -0.000 13.290 -0.000) 13.290 3.118 ( 0.000 -4.713 0.000) 4.713 3.156 ( 0.000 -0.148 0.000) 0.148 3.657 ( 0.000 -16.414 0.000) 16.414 4.224 ( -0.000 14.329 -0.000) 14.329 4.605 ( -0.000 8.077 -0.000) 8.077 5.177 ( -0.000 17.397 -0.000) 17.397 5.644 ( -0.000 1.754 -0.000) 1.754 6.241 ( -0.000 2.211 -0.000) 2.211 6.248 ( 0.000 -13.851 0.000) 13.851 6.675 ( -0.000 13.039 -0.000) 13.039 6.934 ( 0.000 -5.659 0.000) 5.659 6.946 ( 0.000 -6.191 0.000) 6.191 6.997 ( -0.000 1.691 -0.000) 1.691 7.114 ( 0.000 -3.528 0.000) 3.528 7.155 ( -0.000 0.815 -0.000) 0.815 7.197 ( 0.000 -1.107 0.000) 1.107 14.396 ( 0.000 -3.157 0.000) 3.157 14.527 ( 0.000 -1.119 0.000) 1.119 14.690 ( 0.000 -4.388 0.000) 4.388 14.701 ( 0.000 -4.101 0.000) 4.101 16.457 ( -0.000 0.491 -0.000) 0.491 16.696 ( -0.000 3.789 -0.000) 3.789 16.817 ( 0.000 -0.209 0.000) 0.209 17.136 ( -0.000 11.115 -0.000) 11.115======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 246Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.377 ( -0.910 -6.970 0.000) 7.030 1.449 ( 0.416 -2.627 0.000) 2.659 1.555 ( 3.488 -1.258 0.000) 3.708 1.568 ( 6.716 -7.750 0.000) 10.255 1.883 ( 1.261 8.735 -0.000) 8.826 1.966 ( -4.781 -0.358 -0.000) 4.794 2.071 ( -5.579 -2.175 -0.000) 5.988 2.289 ( 0.463 -5.072 0.000) 5.093 2.557 ( 7.813 -5.223 0.000) 9.398 2.887 ( 3.143 3.504 0.000) 4.707 2.888 ( -0.666 -1.985 -0.000) 2.094 3.040 ( -3.818 -3.921 -0.000) 5.472 3.054 ( 3.244 -4.744 0.000) 5.747 3.242 ( 2.868 6.519 0.000) 7.122 3.418 ( -1.861 -6.429 -0.000) 6.693 4.494 ( -1.236 11.796 -0.000) 11.860 4.705 ( -3.548 4.861 -0.000) 6.018 5.451 ( -4.202 12.783 -0.000) 13.456 5.688 ( -1.025 2.718 -0.000) 2.905 6.024 ( 4.211 -11.402 0.000) 12.155 6.298 ( 1.270 1.387 0.000) 1.881 6.820 ( 1.501 -5.619 0.000) 5.816 6.827 ( 1.111 -5.787 0.000) 5.893 6.856 ( -4.332 9.368 -0.000) 10.321 7.001 ( -1.318 0.496 -0.000) 1.409 7.069 ( 1.593 -2.384 0.000) 2.868 7.168 ( 0.328 0.158 0.000) 0.364 7.179 ( -0.118 -0.599 0.000) 0.611 14.320 ( -2.076 -0.510 -0.000) 2.138 14.547 ( 3.079 -1.905 0.000) 3.621 14.598 ( -0.330 -2.340 0.000) 2.363 14.674 ( 3.361 -3.970 0.000) 5.202 16.458 ( -0.730 0.646 -0.000) 0.975 16.727 ( -2.543 2.829 -0.000) 3.804 16.826 ( 1.097 -0.517 0.000) 1.212 17.299 ( -4.017 8.653 -0.000) 9.540======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 225Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.096 ( 0.000 -5.474 -13.537) 14.602 1.097 ( 0.000 -5.860 -12.861) 14.133 1.623 ( -0.000 -0.792 12.828) 12.852 1.646 ( -0.000 -3.249 14.368) 14.731 1.962 ( 0.000 -0.857 -2.567) 2.707 2.046 ( -0.000 6.224 2.457) 6.692 2.119 ( -0.000 -1.076 1.828) 2.121 2.190 ( 0.000 -4.309 0.707) 4.367 2.269 ( 0.000 -2.287 -17.733) 17.880 2.849 ( 0.000 -5.713 1.015) 5.803 2.873 ( 0.000 -0.706 -0.124) 0.717 2.892 ( 0.000 -1.926 0.802) 2.086 3.131 ( -0.000 -0.143 10.022) 10.023 3.341 ( -0.000 4.265 -0.497) 4.293 3.388 ( 0.000 -0.692 -0.799) 1.057 4.670 ( 0.000 8.733 -8.181) 11.967 4.735 ( 0.000 2.979 -9.935) 10.372 5.712 ( -0.000 9.273 -2.035) 9.493 5.721 ( 0.000 -8.657 -2.665) 9.058 5.806 ( -0.000 3.206 2.964) 4.367 6.272 ( 0.000 1.800 -4.606) 4.946 6.700 ( 0.000 -5.366 1.791) 5.657 6.703 ( 0.000 -5.353 1.224) 5.491 6.977 ( 0.000 -1.826 -2.268) 2.911 7.059 ( -0.000 3.696 2.540) 4.485 7.072 ( -0.000 1.388 3.081) 3.380 7.175 ( -0.000 -0.276 1.338) 1.366 7.175 ( -0.000 -0.334 0.978) 1.033 14.356 ( -0.000 -0.426 3.972) 3.995 14.513 ( -0.000 1.390 1.356) 1.942 14.620 ( -0.000 -2.467 5.070) 5.638 14.631 ( -0.000 -2.950 5.868) 6.568 16.449 ( 0.000 0.664 -2.324) 2.417 16.740 ( 0.000 1.469 -5.330) 5.529 16.763 ( 0.000 -0.897 -4.300) 4.392 17.463 ( -0.000 5.212 -2.502) 5.781======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.423 ( 0.000 -8.599 0.000) 8.599 1.462 ( 0.000 -8.500 0.000) 8.500 1.481 ( 0.000 -1.408 0.000) 1.408 1.482 ( 0.000 -2.567 0.000) 2.567 1.870 ( -0.000 8.715 -0.000) 8.715 2.022 ( 0.000 -3.523 0.000) 3.523 2.128 ( 0.000 -1.936 0.000) 1.936 2.286 ( 0.000 -6.252 0.000) 6.252 2.471 ( 0.000 -1.641 0.000) 1.641 2.853 ( -0.000 2.273 -0.000) 2.273 2.901 ( 0.000 -1.882 0.000) 1.882 3.015 ( 0.000 -5.598 0.000) 5.598 3.084 ( 0.000 -6.970 0.000) 6.970 3.206 ( -0.000 9.409 -0.000) 9.409 3.440 ( 0.000 -5.369 0.000) 5.369 4.504 ( -0.000 13.948 -0.000) 13.948 4.743 ( -0.000 5.897 -0.000) 5.897 5.492 ( -0.000 14.589 -0.000) 14.589 5.701 ( -0.000 3.772 -0.000) 3.772 5.981 ( 0.000 -13.208 0.000) 13.208 6.283 ( -0.000 2.018 -0.000) 2.018 6.805 ( 0.000 -7.023 0.000) 7.023 6.817 ( 0.000 -6.875 0.000) 6.875 6.898 ( -0.000 9.588 -0.000) 9.588 7.020 ( -0.000 0.824 -0.000) 0.824 7.048 ( 0.000 -3.092 0.000) 3.092 7.164 ( -0.000 0.123 -0.000) 0.123 7.180 ( 0.000 -0.749 0.000) 0.749 14.346 ( 0.000 -1.976 0.000) 1.976 14.512 ( 0.000 -0.434 0.000) 0.434 14.616 ( 0.000 -3.190 0.000) 3.190 14.626 ( 0.000 -3.430 0.000) 3.430 16.465 ( -0.000 0.369 -0.000) 0.369 16.756 ( -0.000 2.424 -0.000) 2.424 16.811 ( 0.000 -0.349 0.000) 0.349 17.339 ( -0.000 9.323 -0.000) 9.323======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.284 ( 2.285 -2.285 0.000) 3.231 1.406 ( 0.874 -0.874 0.000) 1.236 1.412 ( 7.530 -7.530 0.000) 10.650 1.500 ( 3.881 -3.881 0.000) 5.489 1.980 ( -0.943 0.943 -0.000) 1.334 2.020 ( -2.713 2.713 -0.000) 3.837 2.047 ( -2.005 2.005 -0.000) 2.835 2.213 ( 2.614 -2.614 0.000) 3.697 2.487 ( 2.013 -2.013 0.000) 2.846 2.867 ( 0.171 -0.171 0.000) 0.242 2.888 ( 4.759 -4.759 0.000) 6.730 2.964 ( 4.108 -4.108 0.000) 5.810 2.974 ( -0.714 0.714 -0.000) 1.009 3.352 ( -1.926 1.926 -0.000) 2.723 3.358 ( -1.037 1.037 -0.000) 1.466 4.686 ( -6.956 6.956 -0.000) 9.837 4.785 ( -3.607 3.607 -0.000) 5.101 5.654 ( -7.590 7.590 -0.000) 10.733 5.746 ( -2.769 2.769 -0.000) 3.916 5.831 ( 7.766 -7.766 0.000) 10.982 6.315 ( -0.432 0.432 -0.000) 0.611 6.724 ( 3.948 -3.948 0.000) 5.583 6.726 ( 3.939 -3.939 0.000) 5.571 6.997 ( -4.895 4.895 -0.000) 6.922 7.003 ( 0.221 -0.221 0.000) 0.313 7.035 ( 0.971 -0.971 0.000) 1.373 7.166 ( 0.246 -0.246 0.000) 0.348 7.170 ( 0.284 -0.284 0.000) 0.401 14.317 ( -0.054 0.054 -0.000) 0.077 14.518 ( 1.042 -1.042 0.000) 1.474 14.567 ( 0.770 -0.770 0.000) 1.089 14.608 ( 2.764 -2.764 0.000) 3.909 16.467 ( -0.330 0.330 -0.000) 0.467 16.771 ( -1.671 1.671 -0.000) 2.363 16.815 ( 0.616 -0.616 0.000) 0.871 17.435 ( -5.046 5.046 -0.000) 7.136======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.037 ( 0.000 -0.000 -13.576) 13.576 1.037 ( 0.000 -0.000 -13.576) 13.576 1.612 ( -0.000 0.000 14.996) 14.996 1.612 ( -0.000 0.000 14.996) 14.996 1.956 ( 0.000 -0.000 -3.093) 3.093 2.115 ( -0.000 0.000 2.947) 2.947 2.115 ( -0.000 0.000 2.947) 2.947 2.141 ( 0.000 -0.000 -1.255) 1.255 2.246 ( 0.000 -0.000 -21.017) 21.017 2.785 ( -0.000 0.000 2.504) 2.504 2.866 ( -0.000 0.000 0.062) 0.062 2.866 ( -0.000 0.000 0.062) 0.062 3.138 ( -0.000 0.000 11.274) 11.274 3.382 ( 0.000 -0.000 -1.034) 1.034 3.382 ( 0.000 -0.000 -1.034) 1.034 4.764 ( 0.000 -0.000 -10.111) 10.111 4.764 ( 0.000 -0.000 -10.111) 10.111 5.627 ( 0.000 -0.000 -1.359) 1.359 5.807 ( 0.000 -0.000 -2.093) 2.093 5.843 ( -0.000 0.000 2.830) 2.830 6.292 ( 0.000 -0.000 -4.393) 4.393 6.643 ( -0.000 0.000 1.610) 1.610 6.643 ( -0.000 0.000 1.610) 1.610 6.959 ( 0.000 -0.000 -2.270) 2.270 7.070 ( -0.000 0.000 3.830) 3.830 7.111 ( -0.000 0.000 1.597) 1.597 7.171 ( -0.000 0.000 1.175) 1.175 7.171 ( -0.000 0.000 1.175) 1.175 14.352 ( -0.000 0.000 4.411) 4.411 14.534 ( -0.000 0.000 2.827) 2.827 14.595 ( -0.000 0.000 4.633) 4.633 14.595 ( -0.000 0.000 4.633) 4.633 16.455 ( 0.000 -0.000 -1.811) 1.811 16.754 ( 0.000 -0.000 -5.015) 5.015 16.754 ( 0.000 -0.000 -5.015) 5.015 17.515 ( 0.000 -0.000 -2.628) 2.628======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.288 ( 0.000 -4.990 0.000) 4.990 1.307 ( 0.000 -6.541 0.000) 6.541 1.426 ( 0.000 -2.641 0.000) 2.641 1.429 ( 0.000 -2.910 0.000) 2.910 1.989 ( 0.000 -0.505 0.000) 0.505 2.020 ( -0.000 6.180 -0.000) 6.180 2.098 ( 0.000 -1.099 0.000) 1.099 2.188 ( 0.000 -3.520 0.000) 3.520 2.470 ( -0.000 0.980 -0.000) 0.980 2.827 ( 0.000 -5.032 0.000) 5.032 2.874 ( 0.000 -0.899 0.000) 0.899 2.913 ( 0.000 -4.401 0.000) 4.401 2.989 ( 0.000 -0.869 0.000) 0.869 3.345 ( -0.000 4.812 -0.000) 4.812 3.396 ( 0.000 -0.590 0.000) 0.590 4.749 ( -0.000 10.380 -0.000) 10.380 4.832 ( -0.000 3.146 -0.000) 3.146 5.731 ( -0.000 9.324 -0.000) 9.324 5.749 ( 0.000 -9.880 0.000) 9.880 5.777 ( -0.000 3.541 -0.000) 3.541 6.319 ( -0.000 1.567 -0.000) 1.567 6.680 ( 0.000 -5.230 0.000) 5.230 6.689 ( 0.000 -5.733 0.000) 5.733 6.999 ( 0.000 -1.827 0.000) 1.827 7.026 ( -0.000 1.076 -0.000) 1.076 7.047 ( -0.000 4.260 -0.000) 4.260 7.163 ( 0.000 -0.138 0.000) 0.138 7.167 ( 0.000 -0.521 0.000) 0.521 14.318 ( 0.000 -0.880 0.000) 0.880 14.507 ( 0.000 -0.094 0.000) 0.094 14.568 ( 0.000 -1.683 0.000) 1.683 14.572 ( 0.000 -2.048 0.000) 2.048 16.471 ( -0.000 0.204 -0.000) 0.204 16.791 ( -0.000 1.147 -0.000) 1.147 16.804 ( 0.000 -0.250 0.000) 0.250 17.486 ( -0.000 5.412 -0.000) 5.412======================= 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 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 45Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.238 ( 0.000 -0.000 -0.000) 0.000 1.238 ( 0.000 -0.000 -0.000) 0.000 1.397 ( -0.000 0.000 0.000) 0.000 1.397 ( -0.000 0.000 0.000) 0.000 1.986 ( 0.000 -0.000 -0.000) 0.000 2.087 ( 0.000 -0.000 -0.000) 0.000 2.087 ( 0.000 -0.000 -0.000) 0.000 2.153 ( 0.000 -0.000 -0.000) 0.000 2.485 ( 0.000 -0.000 -0.000) 0.000 2.761 ( 0.000 -0.000 -0.000) 0.000 2.865 ( 0.000 -0.000 -0.000) 0.000 2.865 ( 0.000 -0.000 -0.000) 0.000 2.991 ( -0.000 0.000 0.000) 0.000 3.392 ( 0.000 -0.000 -0.000) 0.000 3.392 ( 0.000 -0.000 -0.000) 0.000 4.863 ( 0.000 -0.000 -0.000) 0.000 4.863 ( 0.000 -0.000 -0.000) 0.000 5.640 ( 0.000 -0.000 -0.000) 0.000 5.816 ( 0.000 -0.000 -0.000) 0.000 5.828 ( 0.000 -0.000 -0.000) 0.000 6.337 ( 0.000 -0.000 -0.000) 0.000 6.624 ( 0.000 -0.000 -0.000) 0.000 6.624 ( 0.000 -0.000 -0.000) 0.000 6.980 ( 0.000 -0.000 -0.000) 0.000 7.030 ( 0.000 -0.000 -0.000) 0.000 7.095 ( 0.000 -0.000 -0.000) 0.000 7.161 ( 0.000 -0.000 -0.000) 0.000 7.161 ( 0.000 -0.000 -0.000) 0.000 14.310 ( 0.000 -0.000 -0.000) 0.000 14.507 ( 0.000 -0.000 -0.000) 0.000 14.551 ( 0.000 -0.000 -0.000) 0.000 14.551 ( 0.000 -0.000 -0.000) 0.000 16.473 ( 0.000 -0.000 -0.000) 0.000 16.802 ( 0.000 -0.000 -0.000) 0.000 16.802 ( 0.000 -0.000 -0.000) 0.000 17.540 ( 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 10.0 407.051 407.051 333.296 0.000 -0.000 -0.000 3/29160 20.0 50.712 50.712 46.276 0.000 -0.000 -0.000 3/29160 30.0 18.973 18.973 17.847 0.000 -0.000 -0.000 3/29160 40.0 10.650 10.650 10.082 0.000 -0.000 -0.000 3/29160 50.0 7.231 7.231 6.865 0.000 -0.000 -0.000 3/29160 60.0 5.452 5.452 5.195 0.000 -0.000 -0.000 3/29160 70.0 4.383 4.383 4.197 0.000 -0.000 -0.000 3/29160 80.0 3.676 3.676 3.543 0.000 -0.000 -0.000 3/29160 90.0 3.175 3.175 3.084 0.000 -0.000 -0.000 3/29160 100.0 2.802 2.802 2.747 0.000 -0.000 -0.000 3/29160 110.0 2.514 2.514 2.489 0.000 -0.000 -0.000 3/29160 120.0 2.284 2.284 2.285 0.000 -0.000 -0.000 3/29160 130.0 2.096 2.096 2.121 0.000 -0.000 -0.000 3/29160 140.0 1.940 1.940 1.984 0.000 -0.000 -0.000 3/29160 150.0 1.807 1.807 1.869 0.000 -0.000 -0.000 3/29160 160.0 1.693 1.693 1.770 0.000 -0.000 -0.000 3/29160 170.0 1.594 1.594 1.684 0.000 -0.000 -0.000 3/29160 180.0 1.507 1.507 1.608 0.000 -0.000 -0.000 3/29160 190.0 1.430 1.430 1.539 0.000 -0.000 -0.000 3/29160 200.0 1.360 1.360 1.477 0.000 -0.000 -0.000 3/29160 210.0 1.298 1.298 1.421 0.000 -0.000 -0.000 3/29160 220.0 1.241 1.241 1.369 0.000 -0.000 -0.000 3/29160 230.0 1.189 1.189 1.322 0.000 -0.000 -0.000 3/29160 240.0 1.142 1.142 1.277 0.000 -0.000 -0.000 3/29160 250.0 1.099 1.099 1.236 0.000 -0.000 -0.000 3/29160 260.0 1.058 1.058 1.198 0.000 -0.000 -0.000 3/29160 270.0 1.021 1.021 1.161 0.000 -0.000 -0.000 3/29160 280.0 0.986 0.986 1.127 0.000 -0.000 -0.000 3/29160 290.0 0.954 0.954 1.095 0.000 -0.000 -0.000 3/29160 300.0 0.924 0.924 1.065 0.000 -0.000 -0.000 3/29160 310.0 0.895 0.895 1.036 0.000 -0.000 -0.000 3/29160 320.0 0.868 0.868 1.009 0.000 -0.000 -0.000 3/29160 330.0 0.843 0.843 0.983 0.000 -0.000 -0.000 3/29160 340.0 0.820 0.820 0.958 0.000 -0.000 -0.000 3/29160 350.0 0.797 0.797 0.934 0.000 -0.000 -0.000 3/29160 360.0 0.776 0.776 0.912 0.000 -0.000 -0.000 3/29160 370.0 0.756 0.756 0.891 0.000 -0.000 -0.000 3/29160 380.0 0.737 0.737 0.870 0.000 -0.000 -0.000 3/29160 390.0 0.719 0.719 0.850 0.000 -0.000 -0.000 3/29160 400.0 0.701 0.701 0.832 0.000 -0.000 -0.000 3/29160 410.0 0.685 0.685 0.814 0.000 -0.000 -0.000 3/29160 420.0 0.669 0.669 0.796 0.000 -0.000 -0.000 3/29160 430.0 0.654 0.654 0.780 0.000 -0.000 -0.000 3/29160 440.0 0.640 0.640 0.764 0.000 -0.000 -0.000 3/29160 450.0 0.626 0.626 0.749 0.000 -0.000 -0.000 3/29160 460.0 0.613 0.613 0.734 0.000 -0.000 -0.000 3/29160 470.0 0.600 0.600 0.720 0.000 -0.000 -0.000 3/29160 480.0 0.588 0.588 0.706 0.000 -0.000 -0.000 3/29160 490.0 0.576 0.576 0.693 0.000 -0.000 -0.000 3/29160 500.0 0.565 0.565 0.680 0.000 -0.000 -0.000 3/29160 510.0 0.554 0.554 0.668 0.000 -0.000 -0.000 3/29160 520.0 0.544 0.544 0.656 0.000 -0.000 -0.000 3/29160 530.0 0.534 0.534 0.645 0.000 -0.000 -0.000 3/29160 540.0 0.524 0.524 0.634 0.000 -0.000 -0.000 3/29160 550.0 0.515 0.515 0.623 0.000 -0.000 -0.000 3/29160 560.0 0.506 0.506 0.613 0.000 -0.000 -0.000 3/29160 570.0 0.497 0.497 0.603 0.000 -0.000 -0.000 3/29160 580.0 0.489 0.489 0.593 0.000 -0.000 -0.000 3/29160 590.0 0.481 0.481 0.583 0.000 -0.000 -0.000 3/29160 600.0 0.473 0.473 0.574 0.000 -0.000 -0.000 3/29160 610.0 0.465 0.465 0.565 0.000 -0.000 -0.000 3/29160 620.0 0.458 0.458 0.557 0.000 -0.000 -0.000 3/29160 630.0 0.451 0.451 0.549 0.000 -0.000 -0.000 3/29160 640.0 0.444 0.444 0.540 0.000 -0.000 -0.000 3/29160 650.0 0.437 0.437 0.533 0.000 -0.000 -0.000 3/29160 660.0 0.431 0.431 0.525 0.000 -0.000 -0.000 3/29160 670.0 0.424 0.424 0.517 0.000 -0.000 -0.000 3/29160 680.0 0.418 0.418 0.510 0.000 -0.000 -0.000 3/29160 690.0 0.412 0.412 0.503 0.000 -0.000 -0.000 3/29160 700.0 0.407 0.407 0.496 0.000 -0.000 -0.000 3/29160 710.0 0.401 0.401 0.490 0.000 -0.000 -0.000 3/29160 720.0 0.395 0.395 0.483 0.000 -0.000 -0.000 3/29160 730.0 0.390 0.390 0.477 0.000 -0.000 -0.000 3/29160 740.0 0.385 0.385 0.471 0.000 -0.000 -0.000 3/29160 750.0 0.380 0.380 0.465 0.000 -0.000 -0.000 3/29160 760.0 0.375 0.375 0.459 0.000 -0.000 -0.000 3/29160 770.0 0.370 0.370 0.453 0.000 -0.000 -0.000 3/29160 780.0 0.365 0.365 0.447 0.000 -0.000 -0.000 3/29160 790.0 0.361 0.361 0.442 0.000 -0.000 -0.000 3/29160 800.0 0.356 0.356 0.437 0.000 -0.000 -0.000 3/29160 810.0 0.352 0.352 0.431 0.000 -0.000 -0.000 3/29160 820.0 0.348 0.348 0.426 0.000 -0.000 -0.000 3/29160 830.0 0.344 0.344 0.421 0.000 -0.000 -0.000 3/29160 840.0 0.340 0.340 0.417 0.000 -0.000 -0.000 3/29160 850.0 0.336 0.336 0.412 0.000 -0.000 -0.000 3/29160 860.0 0.332 0.332 0.407 0.000 -0.000 -0.000 3/29160 870.0 0.328 0.328 0.403 0.000 -0.000 -0.000 3/29160 880.0 0.324 0.324 0.398 0.000 -0.000 -0.000 3/29160 890.0 0.321 0.321 0.394 0.000 -0.000 -0.000 3/29160 900.0 0.317 0.317 0.390 0.000 -0.000 -0.000 3/29160 910.0 0.314 0.314 0.385 0.000 -0.000 -0.000 3/29160 920.0 0.310 0.310 0.381 0.000 -0.000 -0.000 3/29160 930.0 0.307 0.307 0.377 0.000 -0.000 -0.000 3/29160 940.0 0.304 0.304 0.373 0.000 -0.000 -0.000 3/29160 950.0 0.301 0.301 0.370 0.000 -0.000 -0.000 3/29160 960.0 0.298 0.298 0.366 0.000 -0.000 -0.000 3/29160 970.0 0.295 0.295 0.362 0.000 -0.000 -0.000 3/29160 980.0 0.292 0.292 0.359 0.000 -0.000 -0.000 3/29160 990.0 0.289 0.289 0.355 0.000 -0.000 -0.000 3/29160 1000.0 0.286 0.286 0.352 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 2026-01-08 01:48:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|