# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/1489c94a-d9fd-4cb4-9e9f-84613a75626f/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 CsLi2Cl3 / Immm (71) / materials id 569117](https://mdr.nims.go.jp/datasets/1c9d8999-5a1d-4f4a-919f-6f0e96a11577) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 18:28:04]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [3 3 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5]Spacegroup: Immm (71)Number of symmetry operations in supercell: 144------------------------------ primitive cell ------------------------------Lattice vectors: a -2.252952350000000 2.560189654999999 6.127393550000000 b 2.252952350000000 -2.560189654999999 6.127393550000000 c 2.252952350000000 2.560189654999999 -6.127393550000000Atomic positions (fractional): *1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 *2 Li 0.30723022111178 0.30723022111178 0.00000000000000 6.941 3 Li 0.69276977888822 0.69276977888822 0.00000000000000 6.941 *4 Cl 0.77179654001697 0.27179654001697 0.50000000000000 35.453 5 Cl 0.22820345998303 0.72820345998303 0.50000000000000 35.453 *6 Cl 0.50000000000000 0.50000000000000 0.00000000000000 35.453-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.505904700000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.120379309999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.254787100000000Atomic positions (fractional): *1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 1 2 Cs 0.50000000000000 0.50000000000000 0.50000000000000 132.905 > 1 *3 Li 0.00000000000000 0.00000000000000 0.30723022111178 6.941 > 2 4 Li 0.50000000000000 0.50000000000000 0.19276977888822 6.941 > 3 5 Li 0.50000000000000 0.50000000000000 0.80723022111178 6.941 > 2 6 Li 0.00000000000000 0.00000000000000 0.69276977888822 6.941 > 3 *7 Cl 0.00000000000000 0.50000000000000 0.27179654001697 35.453 > 4 8 Cl 0.50000000000000 0.00000000000000 0.22820345998303 35.453 > 5 *9 Cl 0.50000000000000 0.50000000000000 0.00000000000000 35.453 > 6 10 Cl 0.50000000000000 0.00000000000000 0.77179654001697 35.453 > 4 11 Cl 0.00000000000000 0.50000000000000 0.72820345998303 35.453 > 5 12 Cl 0.00000000000000 0.00000000000000 0.50000000000000 35.453 > 6-------------------------------- super cell --------------------------------Lattice vectors: a 13.517714100000001 0.000000000000000 0.000000000000000 b 0.000000000000000 15.361137929999996 0.000000000000000 c 0.000000000000000 0.000000000000000 12.254787100000000Atomic positions (fractional): *1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 1 2 Cs 0.33333333333333 0.00000000000000 0.00000000000000 132.905 > 1 3 Cs 0.66666666666667 0.00000000000000 0.00000000000000 132.905 > 1 4 Cs 0.00000000000000 0.33333333333333 0.00000000000000 132.905 > 1 5 Cs 0.33333333333333 0.33333333333333 0.00000000000000 132.905 > 1 6 Cs 0.66666666666667 0.33333333333333 0.00000000000000 132.905 > 1 7 Cs 0.00000000000000 0.66666666666667 0.00000000000000 132.905 > 1 8 Cs 0.33333333333333 0.66666666666667 0.00000000000000 132.905 > 1 9 Cs 0.66666666666667 0.66666666666667 0.00000000000000 132.905 > 1 10 Cs 0.16666666666667 0.16666666666667 0.50000000000000 132.905 > 1 11 Cs 0.50000000000000 0.16666666666667 0.50000000000000 132.905 > 1 12 Cs 0.83333333333333 0.16666666666667 0.50000000000000 132.905 > 1 13 Cs 0.16666666666667 0.50000000000000 0.50000000000000 132.905 > 1 14 Cs 0.50000000000000 0.50000000000000 0.50000000000000 132.905 > 1 15 Cs 0.83333333333333 0.50000000000000 0.50000000000000 132.905 > 1 16 Cs 0.16666666666667 0.83333333333333 0.50000000000000 132.905 > 1 17 Cs 0.50000000000000 0.83333333333333 0.50000000000000 132.905 > 1 18 Cs 0.83333333333333 0.83333333333333 0.50000000000000 132.905 > 1 *19 Li 0.00000000000000 0.00000000000000 0.30723022111178 6.941 > 2 20 Li 0.33333333333333 0.00000000000000 0.30723022111178 6.941 > 2 21 Li 0.66666666666667 0.00000000000000 0.30723022111178 6.941 > 2 22 Li 0.00000000000000 0.33333333333333 0.30723022111178 6.941 > 2 23 Li 0.33333333333333 0.33333333333333 0.30723022111178 6.941 > 2 24 Li 0.66666666666667 0.33333333333333 0.30723022111178 6.941 > 2 25 Li 0.00000000000000 0.66666666666667 0.30723022111178 6.941 > 2 26 Li 0.33333333333333 0.66666666666667 0.30723022111178 6.941 > 2 27 Li 0.66666666666667 0.66666666666667 0.30723022111178 6.941 > 2 28 Li 0.16666666666667 0.16666666666667 0.19276977888822 6.941 > 3 29 Li 0.50000000000000 0.16666666666667 0.19276977888822 6.941 > 3 30 Li 0.83333333333333 0.16666666666667 0.19276977888822 6.941 > 3 31 Li 0.16666666666667 0.50000000000000 0.19276977888822 6.941 > 3 32 Li 0.50000000000000 0.50000000000000 0.19276977888822 6.941 > 3 33 Li 0.83333333333333 0.50000000000000 0.19276977888822 6.941 > 3 34 Li 0.16666666666667 0.83333333333333 0.19276977888822 6.941 > 3 35 Li 0.50000000000000 0.83333333333333 0.19276977888822 6.941 > 3 36 Li 0.83333333333333 0.83333333333333 0.19276977888822 6.941 > 3 37 Li 0.16666666666667 0.16666666666667 0.80723022111178 6.941 > 2 38 Li 0.50000000000000 0.16666666666667 0.80723022111178 6.941 > 2 39 Li 0.83333333333333 0.16666666666667 0.80723022111178 6.941 > 2 40 Li 0.16666666666667 0.50000000000000 0.80723022111178 6.941 > 2 41 Li 0.50000000000000 0.50000000000000 0.80723022111178 6.941 > 2 42 Li 0.83333333333333 0.50000000000000 0.80723022111178 6.941 > 2 43 Li 0.16666666666667 0.83333333333333 0.80723022111178 6.941 > 2 44 Li 0.50000000000000 0.83333333333333 0.80723022111178 6.941 > 2 45 Li 0.83333333333333 0.83333333333333 0.80723022111178 6.941 > 2 46 Li 0.00000000000000 0.00000000000000 0.69276977888822 6.941 > 3 47 Li 0.33333333333333 0.00000000000000 0.69276977888822 6.941 > 3 48 Li 0.66666666666667 0.00000000000000 0.69276977888822 6.941 > 3 49 Li 0.00000000000000 0.33333333333333 0.69276977888822 6.941 > 3 50 Li 0.33333333333333 0.33333333333333 0.69276977888822 6.941 > 3 51 Li 0.66666666666667 0.33333333333333 0.69276977888822 6.941 > 3 52 Li 0.00000000000000 0.66666666666667 0.69276977888822 6.941 > 3 53 Li 0.33333333333333 0.66666666666667 0.69276977888822 6.941 > 3 54 Li 0.66666666666667 0.66666666666667 0.69276977888822 6.941 > 3 *55 Cl 0.00000000000000 0.16666666666667 0.27179654001697 35.453 > 4 56 Cl 0.33333333333333 0.16666666666667 0.27179654001697 35.453 > 4 57 Cl 0.66666666666667 0.16666666666667 0.27179654001697 35.453 > 4 58 Cl 0.00000000000000 0.50000000000000 0.27179654001697 35.453 > 4 59 Cl 0.33333333333333 0.50000000000000 0.27179654001697 35.453 > 4 60 Cl 0.66666666666667 0.50000000000000 0.27179654001697 35.453 > 4 61 Cl 0.00000000000000 0.83333333333333 0.27179654001697 35.453 > 4 62 Cl 0.33333333333333 0.83333333333333 0.27179654001697 35.453 > 4 63 Cl 0.66666666666667 0.83333333333333 0.27179654001697 35.453 > 4 64 Cl 0.16666666666667 0.00000000000000 0.22820345998303 35.453 > 5 65 Cl 0.50000000000000 0.00000000000000 0.22820345998303 35.453 > 5 66 Cl 0.83333333333333 0.00000000000000 0.22820345998303 35.453 > 5 67 Cl 0.16666666666667 0.33333333333333 0.22820345998303 35.453 > 5 68 Cl 0.50000000000000 0.33333333333333 0.22820345998303 35.453 > 5 69 Cl 0.83333333333333 0.33333333333333 0.22820345998303 35.453 > 5 70 Cl 0.16666666666667 0.66666666666667 0.22820345998303 35.453 > 5 71 Cl 0.50000000000000 0.66666666666667 0.22820345998303 35.453 > 5 72 Cl 0.83333333333333 0.66666666666667 0.22820345998303 35.453 > 5 *73 Cl 0.16666666666667 0.16666666666667 0.00000000000000 35.453 > 6 74 Cl 0.50000000000000 0.16666666666667 0.00000000000000 35.453 > 6 75 Cl 0.83333333333333 0.16666666666667 0.00000000000000 35.453 > 6 76 Cl 0.16666666666667 0.50000000000000 0.00000000000000 35.453 > 6 77 Cl 0.50000000000000 0.50000000000000 0.00000000000000 35.453 > 6 78 Cl 0.83333333333333 0.50000000000000 0.00000000000000 35.453 > 6 79 Cl 0.16666666666667 0.83333333333333 0.00000000000000 35.453 > 6 80 Cl 0.50000000000000 0.83333333333333 0.00000000000000 35.453 > 6 81 Cl 0.83333333333333 0.83333333333333 0.00000000000000 35.453 > 6 82 Cl 0.16666666666667 0.00000000000000 0.77179654001697 35.453 > 4 83 Cl 0.50000000000000 0.00000000000000 0.77179654001697 35.453 > 4 84 Cl 0.83333333333333 0.00000000000000 0.77179654001697 35.453 > 4 85 Cl 0.16666666666667 0.33333333333333 0.77179654001697 35.453 > 4 86 Cl 0.50000000000000 0.33333333333333 0.77179654001697 35.453 > 4 87 Cl 0.83333333333333 0.33333333333333 0.77179654001697 35.453 > 4 88 Cl 0.16666666666667 0.66666666666667 0.77179654001697 35.453 > 4 89 Cl 0.50000000000000 0.66666666666667 0.77179654001697 35.453 > 4 90 Cl 0.83333333333333 0.66666666666667 0.77179654001697 35.453 > 4 91 Cl 0.00000000000000 0.16666666666667 0.72820345998303 35.453 > 5 92 Cl 0.33333333333333 0.16666666666667 0.72820345998303 35.453 > 5 93 Cl 0.66666666666667 0.16666666666667 0.72820345998303 35.453 > 5 94 Cl 0.00000000000000 0.50000000000000 0.72820345998303 35.453 > 5 95 Cl 0.33333333333333 0.50000000000000 0.72820345998303 35.453 > 5 96 Cl 0.66666666666667 0.50000000000000 0.72820345998303 35.453 > 5 97 Cl 0.00000000000000 0.83333333333333 0.72820345998303 35.453 > 5 98 Cl 0.33333333333333 0.83333333333333 0.72820345998303 35.453 > 5 99 Cl 0.66666666666667 0.83333333333333 0.72820345998303 35.453 > 5 100 Cl 0.00000000000000 0.00000000000000 0.50000000000000 35.453 > 6 101 Cl 0.33333333333333 0.00000000000000 0.50000000000000 35.453 > 6 102 Cl 0.66666666666667 0.00000000000000 0.50000000000000 35.453 > 6 103 Cl 0.00000000000000 0.33333333333333 0.50000000000000 35.453 > 6 104 Cl 0.33333333333333 0.33333333333333 0.50000000000000 35.453 > 6 105 Cl 0.66666666666667 0.33333333333333 0.50000000000000 35.453 > 6 106 Cl 0.00000000000000 0.66666666666667 0.50000000000000 35.453 > 6 107 Cl 0.33333333333333 0.66666666666667 0.50000000000000 35.453 > 6 108 Cl 0.66666666666667 0.66666666666667 0.50000000000000 35.453 > 6----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.8566547 0.0000000 0.0000000 0.0000000 2.8944697 0.0000000 0.0000000 0.0000000 2.7797322-------------------------- Born effective charges -------------------------- 1 Cs 1.4201282 0.0000000 0.0000000 0.0000000 1.3406498 0.0000000 0.0000000 0.0000000 1.2528557 2 Li 1.1048082 0.0000000 0.0000000 0.0000000 1.1827954 0.0000000 0.0000000 0.0000000 1.0329939 3 Li 1.1048082 0.0000000 0.0000000 0.0000000 1.1827954 0.0000000 0.0000000 0.0000000 1.0329939 4 Cl -1.2924718 0.0000000 0.0000000 0.0000000 -1.2633556 0.0000000 0.0000000 0.0000000 -1.0007753 5 Cl -1.2924718 0.0000000 0.0000000 0.0000000 -1.2633556 0.0000000 0.0000000 0.0000000 -1.0007753 6 Cl -1.0448010 0.0000000 0.0000000 0.0000000 -1.1795294 0.0000000 0.0000000 0.0000000 -1.3172930----------------------------------------------------------------------------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: 324/324Permutation basis: 3690/3690Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 480Number of blocks in projector: 488Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 10--- Eigsh_solver_block: 1 / 10 ---Block_size: 104Use standard eigh solver.--- Eigsh_solver_block: 2 / 10 ---Block_size: 104Use standard eigh solver.--- Eigsh_solver_block: 3 / 10 ---Block_size: 104Use standard eigh solver.--- Eigsh_solver_block: 4 / 10 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 5 / 10 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 6 / 10 ---Block_size: 36Use standard eigh solver.--- Eigsh_solver_block: 7 / 10 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 8 / 10 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 9 / 10 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 10 / 10 ---Block_size: 1Use standard eigh solver.Tree of FC basis block matrices:- (480, 468), data: False|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (36, 36), data: True|-- (64, 64), data: True|-- (64, 64), data: True|-- (104, 100), data: True|-- (104, 100), data: True|-- (104, 100), data: True-----Solver_atoms: 1 -- 108 / 108Time (Solver_compr_matrix_reshape): 0.004Solver_block: 100 / 160 - Time: 0.354Solver_block: 160 / 160 - Time: 0.261Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.622--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 324/324Permutation basis: 3690/3690Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 480Number of blocks in projector: 488Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 10--- Eigsh_solver_block: 1 / 10 ---Block_size: 104Use standard eigh solver.--- Eigsh_solver_block: 2 / 10 ---Block_size: 104Use standard eigh solver.--- Eigsh_solver_block: 3 / 10 ---Block_size: 104Use standard eigh solver.--- Eigsh_solver_block: 4 / 10 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 5 / 10 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 6 / 10 ---Block_size: 36Use standard eigh solver.--- Eigsh_solver_block: 7 / 10 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 8 / 10 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 9 / 10 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 10 / 10 ---Block_size: 1Use standard eigh solver.Tree of FC basis block matrices:- (480, 468), data: False|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (1, 1), data: True|-- (36, 36), data: True|-- (64, 64), data: True|-- (64, 64), data: True|-- (104, 100), data: True|-- (104, 100), data: True|-- (104, 100), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 18:28:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 18:28:11]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [3 3 1]Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5]Spacegroup: Immm (71)------------------------------ primitive cell ------------------------------Lattice vectors: a -2.252952350000000 2.560189654999999 6.127393550000000 b 2.252952350000000 -2.560189654999999 6.127393550000000 c 2.252952350000000 2.560189654999999 -6.127393550000000Atomic positions (fractional): 1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 2 Li 0.30723022111178 0.30723022111178 0.00000000000000 6.941 3 Li 0.69276977888822 0.69276977888822 0.00000000000000 6.941 4 Cl 0.77179654001697 0.27179654001697 0.50000000000000 35.453 5 Cl 0.22820345998303 0.72820345998303 0.50000000000000 35.453 6 Cl 0.50000000000000 0.50000000000000 0.00000000000000 35.453-------------------------------- supercell ---------------------------------Lattice vectors: a 13.517714100000001 0.000000000000000 0.000000000000000 b 0.000000000000000 15.361137929999996 0.000000000000000 c 0.000000000000000 0.000000000000000 12.254787100000000Atomic positions (fractional): 1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 1 2 Cs 0.33333333333333 0.00000000000000 0.00000000000000 132.905 > 1 3 Cs 0.66666666666667 0.00000000000000 0.00000000000000 132.905 > 1 4 Cs 0.00000000000000 0.33333333333333 0.00000000000000 132.905 > 1 5 Cs 0.33333333333333 0.33333333333333 0.00000000000000 132.905 > 1 6 Cs 0.66666666666667 0.33333333333333 0.00000000000000 132.905 > 1 7 Cs 0.00000000000000 0.66666666666667 0.00000000000000 132.905 > 1 8 Cs 0.33333333333333 0.66666666666667 0.00000000000000 132.905 > 1 9 Cs 0.66666666666667 0.66666666666667 0.00000000000000 132.905 > 1 10 Cs 0.16666666666667 0.16666666666667 0.50000000000000 132.905 > 1 11 Cs 0.50000000000000 0.16666666666667 0.50000000000000 132.905 > 1 12 Cs 0.83333333333333 0.16666666666667 0.50000000000000 132.905 > 1 13 Cs 0.16666666666667 0.50000000000000 0.50000000000000 132.905 > 1 14 Cs 0.50000000000000 0.50000000000000 0.50000000000000 132.905 > 1 15 Cs 0.83333333333333 0.50000000000000 0.50000000000000 132.905 > 1 16 Cs 0.16666666666667 0.83333333333333 0.50000000000000 132.905 > 1 17 Cs 0.50000000000000 0.83333333333333 0.50000000000000 132.905 > 1 18 Cs 0.83333333333333 0.83333333333333 0.50000000000000 132.905 > 1 19 Li 0.00000000000000 0.00000000000000 0.30723022111178 6.941 > 19 20 Li 0.33333333333333 0.00000000000000 0.30723022111178 6.941 > 19 21 Li 0.66666666666667 0.00000000000000 0.30723022111178 6.941 > 19 22 Li 0.00000000000000 0.33333333333333 0.30723022111178 6.941 > 19 23 Li 0.33333333333333 0.33333333333333 0.30723022111178 6.941 > 19 24 Li 0.66666666666667 0.33333333333333 0.30723022111178 6.941 > 19 25 Li 0.00000000000000 0.66666666666667 0.30723022111178 6.941 > 19 26 Li 0.33333333333333 0.66666666666667 0.30723022111178 6.941 > 19 27 Li 0.66666666666667 0.66666666666667 0.30723022111178 6.941 > 19 28 Li 0.16666666666667 0.16666666666667 0.19276977888822 6.941 > 28 29 Li 0.50000000000000 0.16666666666667 0.19276977888822 6.941 > 28 30 Li 0.83333333333333 0.16666666666667 0.19276977888822 6.941 > 28 31 Li 0.16666666666667 0.50000000000000 0.19276977888822 6.941 > 28 32 Li 0.50000000000000 0.50000000000000 0.19276977888822 6.941 > 28 33 Li 0.83333333333333 0.50000000000000 0.19276977888822 6.941 > 28 34 Li 0.16666666666667 0.83333333333333 0.19276977888822 6.941 > 28 35 Li 0.50000000000000 0.83333333333333 0.19276977888822 6.941 > 28 36 Li 0.83333333333333 0.83333333333333 0.19276977888822 6.941 > 28 37 Li 0.16666666666667 0.16666666666667 0.80723022111178 6.941 > 19 38 Li 0.50000000000000 0.16666666666667 0.80723022111178 6.941 > 19 39 Li 0.83333333333333 0.16666666666667 0.80723022111178 6.941 > 19 40 Li 0.16666666666667 0.50000000000000 0.80723022111178 6.941 > 19 41 Li 0.50000000000000 0.50000000000000 0.80723022111178 6.941 > 19 42 Li 0.83333333333333 0.50000000000000 0.80723022111178 6.941 > 19 43 Li 0.16666666666667 0.83333333333333 0.80723022111178 6.941 > 19 44 Li 0.50000000000000 0.83333333333333 0.80723022111178 6.941 > 19 45 Li 0.83333333333333 0.83333333333333 0.80723022111178 6.941 > 19 46 Li 0.00000000000000 0.00000000000000 0.69276977888822 6.941 > 28 47 Li 0.33333333333333 0.00000000000000 0.69276977888822 6.941 > 28 48 Li 0.66666666666667 0.00000000000000 0.69276977888822 6.941 > 28 49 Li 0.00000000000000 0.33333333333333 0.69276977888822 6.941 > 28 50 Li 0.33333333333333 0.33333333333333 0.69276977888822 6.941 > 28 51 Li 0.66666666666667 0.33333333333333 0.69276977888822 6.941 > 28 52 Li 0.00000000000000 0.66666666666667 0.69276977888822 6.941 > 28 53 Li 0.33333333333333 0.66666666666667 0.69276977888822 6.941 > 28 54 Li 0.66666666666667 0.66666666666667 0.69276977888822 6.941 > 28 55 Cl 0.00000000000000 0.16666666666667 0.27179654001697 35.453 > 55 56 Cl 0.33333333333333 0.16666666666667 0.27179654001697 35.453 > 55 57 Cl 0.66666666666667 0.16666666666667 0.27179654001697 35.453 > 55 58 Cl 0.00000000000000 0.50000000000000 0.27179654001697 35.453 > 55 59 Cl 0.33333333333333 0.50000000000000 0.27179654001697 35.453 > 55 60 Cl 0.66666666666667 0.50000000000000 0.27179654001697 35.453 > 55 61 Cl 0.00000000000000 0.83333333333333 0.27179654001697 35.453 > 55 62 Cl 0.33333333333333 0.83333333333333 0.27179654001697 35.453 > 55 63 Cl 0.66666666666667 0.83333333333333 0.27179654001697 35.453 > 55 64 Cl 0.16666666666667 0.00000000000000 0.22820345998303 35.453 > 64 65 Cl 0.50000000000000 0.00000000000000 0.22820345998303 35.453 > 64 66 Cl 0.83333333333333 0.00000000000000 0.22820345998303 35.453 > 64 67 Cl 0.16666666666667 0.33333333333333 0.22820345998303 35.453 > 64 68 Cl 0.50000000000000 0.33333333333333 0.22820345998303 35.453 > 64 69 Cl 0.83333333333333 0.33333333333333 0.22820345998303 35.453 > 64 70 Cl 0.16666666666667 0.66666666666667 0.22820345998303 35.453 > 64 71 Cl 0.50000000000000 0.66666666666667 0.22820345998303 35.453 > 64 72 Cl 0.83333333333333 0.66666666666667 0.22820345998303 35.453 > 64 73 Cl 0.16666666666667 0.16666666666667 0.00000000000000 35.453 > 73 74 Cl 0.50000000000000 0.16666666666667 0.00000000000000 35.453 > 73 75 Cl 0.83333333333333 0.16666666666667 0.00000000000000 35.453 > 73 76 Cl 0.16666666666667 0.50000000000000 0.00000000000000 35.453 > 73 77 Cl 0.50000000000000 0.50000000000000 0.00000000000000 35.453 > 73 78 Cl 0.83333333333333 0.50000000000000 0.00000000000000 35.453 > 73 79 Cl 0.16666666666667 0.83333333333333 0.00000000000000 35.453 > 73 80 Cl 0.50000000000000 0.83333333333333 0.00000000000000 35.453 > 73 81 Cl 0.83333333333333 0.83333333333333 0.00000000000000 35.453 > 73 82 Cl 0.16666666666667 0.00000000000000 0.77179654001697 35.453 > 55 83 Cl 0.50000000000000 0.00000000000000 0.77179654001697 35.453 > 55 84 Cl 0.83333333333333 0.00000000000000 0.77179654001697 35.453 > 55 85 Cl 0.16666666666667 0.33333333333333 0.77179654001697 35.453 > 55 86 Cl 0.50000000000000 0.33333333333333 0.77179654001697 35.453 > 55 87 Cl 0.83333333333333 0.33333333333333 0.77179654001697 35.453 > 55 88 Cl 0.16666666666667 0.66666666666667 0.77179654001697 35.453 > 55 89 Cl 0.50000000000000 0.66666666666667 0.77179654001697 35.453 > 55 90 Cl 0.83333333333333 0.66666666666667 0.77179654001697 35.453 > 55 91 Cl 0.00000000000000 0.16666666666667 0.72820345998303 35.453 > 64 92 Cl 0.33333333333333 0.16666666666667 0.72820345998303 35.453 > 64 93 Cl 0.66666666666667 0.16666666666667 0.72820345998303 35.453 > 64 94 Cl 0.00000000000000 0.50000000000000 0.72820345998303 35.453 > 64 95 Cl 0.33333333333333 0.50000000000000 0.72820345998303 35.453 > 64 96 Cl 0.66666666666667 0.50000000000000 0.72820345998303 35.453 > 64 97 Cl 0.00000000000000 0.83333333333333 0.72820345998303 35.453 > 64 98 Cl 0.33333333333333 0.83333333333333 0.72820345998303 35.453 > 64 99 Cl 0.66666666666667 0.83333333333333 0.72820345998303 35.453 > 64 100 Cl 0.00000000000000 0.00000000000000 0.50000000000000 35.453 > 73 101 Cl 0.33333333333333 0.00000000000000 0.50000000000000 35.453 > 73 102 Cl 0.66666666666667 0.00000000000000 0.50000000000000 35.453 > 73 103 Cl 0.00000000000000 0.33333333333333 0.50000000000000 35.453 > 73 104 Cl 0.33333333333333 0.33333333333333 0.50000000000000 35.453 > 73 105 Cl 0.66666666666667 0.33333333333333 0.50000000000000 35.453 > 73 106 Cl 0.00000000000000 0.66666666666667 0.50000000000000 35.453 > 73 107 Cl 0.33333333333333 0.66666666666667 0.50000000000000 35.453 > 73 108 Cl 0.66666666666667 0.66666666666667 0.50000000000000 35.453 > 73----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.8566547 0.0000000 0.0000000 0.0000000 2.8944697 0.0000000 0.0000000 0.0000000 2.7797322-------------------------- Born effective charges -------------------------- 1 Cs 1.4201282 0.0000000 0.0000000 0.0000000 1.3406498 0.0000000 0.0000000 0.0000000 1.2528557 2 Li 1.1048082 0.0000000 0.0000000 0.0000000 1.1827954 0.0000000 0.0000000 0.0000000 1.0329939 3 Li 1.1048082 0.0000000 0.0000000 0.0000000 1.1827954 0.0000000 0.0000000 0.0000000 1.0329939 4 Cl -1.2924718 0.0000000 0.0000000 0.0000000 -1.2633556 0.0000000 0.0000000 0.0000000 -1.0007753 5 Cl -1.2924718 0.0000000 0.0000000 0.0000000 -1.2633556 0.0000000 0.0000000 0.0000000 -1.0007753 6 Cl -1.0448010 0.0000000 0.0000000 0.0000000 -1.1795294 0.0000000 0.0000000 0.0000000 -1.3172930----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 19, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 55, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 73, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000000 (xyy) -0.00000000 (xyy) -0.00000000 (xyy)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 18:28:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 18:28:19]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [3 3 1]Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5]Spacegroup: Immm (71)------------------------------ primitive cell ------------------------------Lattice vectors: a -2.252952350000000 2.560189654999999 6.127393550000000 b 2.252952350000000 -2.560189654999999 6.127393550000000 c 2.252952350000000 2.560189654999999 -6.127393550000000Atomic positions (fractional): 1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 2 Li 0.30723022111178 0.30723022111178 0.00000000000000 6.941 3 Li 0.69276977888822 0.69276977888822 0.00000000000000 6.941 4 Cl 0.77179654001697 0.27179654001697 0.50000000000000 35.453 5 Cl 0.22820345998303 0.72820345998303 0.50000000000000 35.453 6 Cl 0.50000000000000 0.50000000000000 0.00000000000000 35.453-------------------------------- supercell ---------------------------------Lattice vectors: a 13.517714100000001 0.000000000000000 0.000000000000000 b 0.000000000000000 15.361137929999996 0.000000000000000 c 0.000000000000000 0.000000000000000 12.254787100000000Atomic positions (fractional): 1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 1 2 Cs 0.33333333333333 0.00000000000000 0.00000000000000 132.905 > 1 3 Cs 0.66666666666667 0.00000000000000 0.00000000000000 132.905 > 1 4 Cs 0.00000000000000 0.33333333333333 0.00000000000000 132.905 > 1 5 Cs 0.33333333333333 0.33333333333333 0.00000000000000 132.905 > 1 6 Cs 0.66666666666667 0.33333333333333 0.00000000000000 132.905 > 1 7 Cs 0.00000000000000 0.66666666666667 0.00000000000000 132.905 > 1 8 Cs 0.33333333333333 0.66666666666667 0.00000000000000 132.905 > 1 9 Cs 0.66666666666667 0.66666666666667 0.00000000000000 132.905 > 1 10 Cs 0.16666666666667 0.16666666666667 0.50000000000000 132.905 > 1 11 Cs 0.50000000000000 0.16666666666667 0.50000000000000 132.905 > 1 12 Cs 0.83333333333333 0.16666666666667 0.50000000000000 132.905 > 1 13 Cs 0.16666666666667 0.50000000000000 0.50000000000000 132.905 > 1 14 Cs 0.50000000000000 0.50000000000000 0.50000000000000 132.905 > 1 15 Cs 0.83333333333333 0.50000000000000 0.50000000000000 132.905 > 1 16 Cs 0.16666666666667 0.83333333333333 0.50000000000000 132.905 > 1 17 Cs 0.50000000000000 0.83333333333333 0.50000000000000 132.905 > 1 18 Cs 0.83333333333333 0.83333333333333 0.50000000000000 132.905 > 1 19 Li 0.00000000000000 0.00000000000000 0.30723022111178 6.941 > 19 20 Li 0.33333333333333 0.00000000000000 0.30723022111178 6.941 > 19 21 Li 0.66666666666667 0.00000000000000 0.30723022111178 6.941 > 19 22 Li 0.00000000000000 0.33333333333333 0.30723022111178 6.941 > 19 23 Li 0.33333333333333 0.33333333333333 0.30723022111178 6.941 > 19 24 Li 0.66666666666667 0.33333333333333 0.30723022111178 6.941 > 19 25 Li 0.00000000000000 0.66666666666667 0.30723022111178 6.941 > 19 26 Li 0.33333333333333 0.66666666666667 0.30723022111178 6.941 > 19 27 Li 0.66666666666667 0.66666666666667 0.30723022111178 6.941 > 19 28 Li 0.16666666666667 0.16666666666667 0.19276977888822 6.941 > 28 29 Li 0.50000000000000 0.16666666666667 0.19276977888822 6.941 > 28 30 Li 0.83333333333333 0.16666666666667 0.19276977888822 6.941 > 28 31 Li 0.16666666666667 0.50000000000000 0.19276977888822 6.941 > 28 32 Li 0.50000000000000 0.50000000000000 0.19276977888822 6.941 > 28 33 Li 0.83333333333333 0.50000000000000 0.19276977888822 6.941 > 28 34 Li 0.16666666666667 0.83333333333333 0.19276977888822 6.941 > 28 35 Li 0.50000000000000 0.83333333333333 0.19276977888822 6.941 > 28 36 Li 0.83333333333333 0.83333333333333 0.19276977888822 6.941 > 28 37 Li 0.16666666666667 0.16666666666667 0.80723022111178 6.941 > 19 38 Li 0.50000000000000 0.16666666666667 0.80723022111178 6.941 > 19 39 Li 0.83333333333333 0.16666666666667 0.80723022111178 6.941 > 19 40 Li 0.16666666666667 0.50000000000000 0.80723022111178 6.941 > 19 41 Li 0.50000000000000 0.50000000000000 0.80723022111178 6.941 > 19 42 Li 0.83333333333333 0.50000000000000 0.80723022111178 6.941 > 19 43 Li 0.16666666666667 0.83333333333333 0.80723022111178 6.941 > 19 44 Li 0.50000000000000 0.83333333333333 0.80723022111178 6.941 > 19 45 Li 0.83333333333333 0.83333333333333 0.80723022111178 6.941 > 19 46 Li 0.00000000000000 0.00000000000000 0.69276977888822 6.941 > 28 47 Li 0.33333333333333 0.00000000000000 0.69276977888822 6.941 > 28 48 Li 0.66666666666667 0.00000000000000 0.69276977888822 6.941 > 28 49 Li 0.00000000000000 0.33333333333333 0.69276977888822 6.941 > 28 50 Li 0.33333333333333 0.33333333333333 0.69276977888822 6.941 > 28 51 Li 0.66666666666667 0.33333333333333 0.69276977888822 6.941 > 28 52 Li 0.00000000000000 0.66666666666667 0.69276977888822 6.941 > 28 53 Li 0.33333333333333 0.66666666666667 0.69276977888822 6.941 > 28 54 Li 0.66666666666667 0.66666666666667 0.69276977888822 6.941 > 28 55 Cl 0.00000000000000 0.16666666666667 0.27179654001697 35.453 > 55 56 Cl 0.33333333333333 0.16666666666667 0.27179654001697 35.453 > 55 57 Cl 0.66666666666667 0.16666666666667 0.27179654001697 35.453 > 55 58 Cl 0.00000000000000 0.50000000000000 0.27179654001697 35.453 > 55 59 Cl 0.33333333333333 0.50000000000000 0.27179654001697 35.453 > 55 60 Cl 0.66666666666667 0.50000000000000 0.27179654001697 35.453 > 55 61 Cl 0.00000000000000 0.83333333333333 0.27179654001697 35.453 > 55 62 Cl 0.33333333333333 0.83333333333333 0.27179654001697 35.453 > 55 63 Cl 0.66666666666667 0.83333333333333 0.27179654001697 35.453 > 55 64 Cl 0.16666666666667 0.00000000000000 0.22820345998303 35.453 > 64 65 Cl 0.50000000000000 0.00000000000000 0.22820345998303 35.453 > 64 66 Cl 0.83333333333333 0.00000000000000 0.22820345998303 35.453 > 64 67 Cl 0.16666666666667 0.33333333333333 0.22820345998303 35.453 > 64 68 Cl 0.50000000000000 0.33333333333333 0.22820345998303 35.453 > 64 69 Cl 0.83333333333333 0.33333333333333 0.22820345998303 35.453 > 64 70 Cl 0.16666666666667 0.66666666666667 0.22820345998303 35.453 > 64 71 Cl 0.50000000000000 0.66666666666667 0.22820345998303 35.453 > 64 72 Cl 0.83333333333333 0.66666666666667 0.22820345998303 35.453 > 64 73 Cl 0.16666666666667 0.16666666666667 0.00000000000000 35.453 > 73 74 Cl 0.50000000000000 0.16666666666667 0.00000000000000 35.453 > 73 75 Cl 0.83333333333333 0.16666666666667 0.00000000000000 35.453 > 73 76 Cl 0.16666666666667 0.50000000000000 0.00000000000000 35.453 > 73 77 Cl 0.50000000000000 0.50000000000000 0.00000000000000 35.453 > 73 78 Cl 0.83333333333333 0.50000000000000 0.00000000000000 35.453 > 73 79 Cl 0.16666666666667 0.83333333333333 0.00000000000000 35.453 > 73 80 Cl 0.50000000000000 0.83333333333333 0.00000000000000 35.453 > 73 81 Cl 0.83333333333333 0.83333333333333 0.00000000000000 35.453 > 73 82 Cl 0.16666666666667 0.00000000000000 0.77179654001697 35.453 > 55 83 Cl 0.50000000000000 0.00000000000000 0.77179654001697 35.453 > 55 84 Cl 0.83333333333333 0.00000000000000 0.77179654001697 35.453 > 55 85 Cl 0.16666666666667 0.33333333333333 0.77179654001697 35.453 > 55 86 Cl 0.50000000000000 0.33333333333333 0.77179654001697 35.453 > 55 87 Cl 0.83333333333333 0.33333333333333 0.77179654001697 35.453 > 55 88 Cl 0.16666666666667 0.66666666666667 0.77179654001697 35.453 > 55 89 Cl 0.50000000000000 0.66666666666667 0.77179654001697 35.453 > 55 90 Cl 0.83333333333333 0.66666666666667 0.77179654001697 35.453 > 55 91 Cl 0.00000000000000 0.16666666666667 0.72820345998303 35.453 > 64 92 Cl 0.33333333333333 0.16666666666667 0.72820345998303 35.453 > 64 93 Cl 0.66666666666667 0.16666666666667 0.72820345998303 35.453 > 64 94 Cl 0.00000000000000 0.50000000000000 0.72820345998303 35.453 > 64 95 Cl 0.33333333333333 0.50000000000000 0.72820345998303 35.453 > 64 96 Cl 0.66666666666667 0.50000000000000 0.72820345998303 35.453 > 64 97 Cl 0.00000000000000 0.83333333333333 0.72820345998303 35.453 > 64 98 Cl 0.33333333333333 0.83333333333333 0.72820345998303 35.453 > 64 99 Cl 0.66666666666667 0.83333333333333 0.72820345998303 35.453 > 64 100 Cl 0.00000000000000 0.00000000000000 0.50000000000000 35.453 > 73 101 Cl 0.33333333333333 0.00000000000000 0.50000000000000 35.453 > 73 102 Cl 0.66666666666667 0.00000000000000 0.50000000000000 35.453 > 73 103 Cl 0.00000000000000 0.33333333333333 0.50000000000000 35.453 > 73 104 Cl 0.33333333333333 0.33333333333333 0.50000000000000 35.453 > 73 105 Cl 0.66666666666667 0.33333333333333 0.50000000000000 35.453 > 73 106 Cl 0.00000000000000 0.66666666666667 0.50000000000000 35.453 > 73 107 Cl 0.33333333333333 0.66666666666667 0.50000000000000 35.453 > 73 108 Cl 0.66666666666667 0.66666666666667 0.50000000000000 35.453 > 73----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 2.8566547 0.0000000 0.0000000 0.0000000 2.8944697 0.0000000 0.0000000 0.0000000 2.7797322-------------------------- Born effective charges -------------------------- 1 Cs 1.4201282 0.0000000 0.0000000 0.0000000 1.3406498 0.0000000 0.0000000 0.0000000 1.2528557 2 Li 1.1048082 0.0000000 0.0000000 0.0000000 1.1827954 0.0000000 0.0000000 0.0000000 1.0329939 3 Li 1.1048082 0.0000000 0.0000000 0.0000000 1.1827954 0.0000000 0.0000000 0.0000000 1.0329939 4 Cl -1.2924718 0.0000000 0.0000000 0.0000000 -1.2633556 0.0000000 0.0000000 0.0000000 -1.0007753 5 Cl -1.2924718 0.0000000 0.0000000 0.0000000 -1.2633556 0.0000000 0.0000000 0.0000000 -1.0007753 6 Cl -1.0448010 0.0000000 0.0000000 0.0000000 -1.1795294 0.0000000 0.0000000 0.0000000 -1.3172930----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (xyy) -0.00000000 (xyy) -0.00000000 (xyy)Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... Generalized regular grid: [ 1 2 440 ]Grid generation matrix: [ 0 11 11 ] [ 10 0 10 ] [ 4 4 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: 0.80, Number of G-points: 311, Lambda: 0.14Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/168) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 168Calculating 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 1.682 ( 0.000 0.000 0.000) 0.000 1.947 ( 0.000 0.000 0.000) 0.000 1.985 ( 0.000 0.000 0.000) 0.000 2.864 ( 0.000 0.000 0.000) 0.000 3.350 ( 0.000 0.000 0.000) 0.000 3.980 ( 0.000 0.000 0.000) 0.000 4.084 ( 0.000 0.000 0.000) 0.000 4.594 ( 0.000 0.000 0.000) 0.000 4.806 ( 0.000 0.000 0.000) 0.000 5.063 ( 0.000 0.000 0.000) 0.000 5.388 ( 0.000 0.000 0.000) 0.000 8.190 ( 0.000 0.000 0.000) 0.000 8.334 ( 0.000 0.000 0.000) 0.000 10.086 ( 0.000 0.000 0.000) 0.000 10.656 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/168) =======================q-point: ( 0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.163 ( -0.000 -0.000 -0.000) 0.000 1.706 ( -0.000 -0.000 -0.000) 0.000 2.025 ( -0.000 -0.000 -0.000) 0.000 2.214 ( -0.000 -0.000 0.000) 0.000 2.772 ( -0.000 -0.000 0.000) 0.000 3.137 ( -0.000 -0.000 -0.000) 0.000 3.732 ( -0.000 -0.000 0.000) 0.000 3.794 ( -0.000 -0.000 0.000) 0.000 3.885 ( 0.000 0.000 -0.000) 0.000 4.222 ( -0.000 -0.000 -0.000) 0.000 4.248 ( 0.000 0.000 0.000) 0.000 5.012 ( -0.000 -0.000 0.000) 0.000 6.984 ( -0.000 -0.000 -0.000) 0.000 7.455 ( -0.000 -0.000 -0.000) 0.000 8.240 ( -0.000 -0.000 -0.000) 0.000 8.312 ( -0.000 -0.000 -0.000) 0.000 10.591 ( -0.000 -0.000 -0.000) 0.000 10.759 ( -0.000 -0.000 -0.000) 0.000======================= Grid point 3 (3/168) =======================q-point: ( 0.20 -0.45 -0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.273 ( -2.042 -1.723 1.272) 2.960 1.410 ( -3.312 -9.837 -0.103) 10.380 1.968 ( 0.583 -8.943 -0.214) 8.964 2.292 ( -3.503 10.723 -0.916) 11.318 2.424 ( -6.047 -5.618 -3.677) 9.036 3.227 ( -15.832 -15.753 -1.479) 22.383 3.632 ( 16.082 -23.325 1.076) 28.352 3.717 ( -0.609 -6.909 3.850) 7.933 3.991 ( -0.555 1.180 -0.074) 1.306 4.299 ( 5.634 -5.911 -1.728) 8.347 4.841 ( -1.148 23.253 -0.024) 23.281 4.958 ( 1.798 22.992 -0.198) 23.063 5.432 ( -14.892 15.796 0.938) 21.729 5.765 ( 8.191 12.726 0.309) 15.137 9.520 ( -1.535 11.152 1.337) 11.336 9.885 ( -10.006 7.184 5.804) 13.617 10.134 ( 8.450 3.248 -6.384) 11.077 10.285 ( 2.114 1.775 -0.498) 2.805======================= Grid point 4 (4/168) =======================q-point: (-0.30 -0.45 -0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.199 ( -4.243 8.325 -1.049) 9.403 1.247 ( 0.121 2.849 1.522) 3.232 1.781 ( 2.607 10.399 0.119) 10.722 2.391 ( -3.730 6.113 -1.735) 7.368 2.460 ( -0.307 0.521 1.646) 1.753 2.929 ( -4.789 6.984 -0.568) 8.487 3.186 ( 11.752 18.277 0.830) 21.744 3.648 ( 1.152 4.846 -3.858) 6.301 4.025 ( -3.606 1.894 1.246) 4.259 4.100 ( 0.933 2.244 3.275) 4.078 5.299 ( 0.089 -21.098 -1.015) 21.122 5.405 ( 0.959 -21.897 0.666) 21.928 5.736 ( -8.919 -10.458 -2.773) 14.022 5.919 ( 3.173 -7.170 2.035) 8.100 9.640 ( -5.772 -8.376 1.728) 10.317 9.881 ( -19.768 -12.272 2.813) 23.437 10.339 ( 4.883 -0.611 -1.997) 5.311 10.425 ( 15.970 -2.726 -2.190) 16.349======================= Grid point 5 (5/168) =======================q-point: ( 0.40 0.10 -0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 442Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.160 ( 1.163 1.653 1.568) 2.558 1.585 ( -5.458 10.535 1.767) 11.996 1.905 ( -1.702 3.939 0.441) 4.314 2.262 ( 1.512 -2.124 3.592) 4.439 2.636 ( -5.447 12.945 1.289) 14.103 2.998 ( -8.242 11.968 1.491) 14.608 3.327 ( -1.759 2.778 -3.183) 4.576 3.836 ( 3.951 -0.366 -4.361) 5.896 4.032 ( -4.369 -10.886 -2.977) 12.102 4.155 ( 5.670 8.727 5.753) 11.891 4.607 ( 10.414 -3.255 3.843) 11.568 5.122 ( 7.766 -5.316 -5.387) 10.844 6.542 ( -14.364 20.210 -0.278) 24.796 6.978 ( -28.795 10.480 -6.657) 31.358 8.481 ( 16.195 4.619 -0.292) 16.843 8.657 ( 28.149 -0.611 -5.773) 28.741 10.658 ( -1.997 -6.698 10.095) 12.278 10.747 ( -1.601 -1.907 -0.100) 2.492======================= Grid point 6 (6/168) =======================q-point: (-0.10 0.10 -0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.285 ( 6.829 -7.949 -0.000) 10.479 0.455 ( 14.002 -8.361 -0.000) 16.308 1.172 ( 23.679 -23.974 -0.000) 33.696 1.888 ( -1.012 -6.568 0.000) 6.646 2.000 ( -0.885 -2.767 0.000) 2.905 2.303 ( 12.515 -11.873 -0.000) 17.251 2.954 ( 9.227 -3.324 -0.000) 9.807 3.412 ( 5.636 3.796 -0.000) 6.795 4.074 ( 0.330 -4.907 0.000) 4.918 4.667 ( -3.885 -2.704 0.000) 4.733 4.808 ( 0.184 -0.878 0.000) 0.897 5.078 ( 3.589 -1.407 -0.000) 3.855 5.386 ( 0.030 -2.433 0.000) 2.434 5.697 ( -82.319 -79.343 0.000) 114.332 8.369 ( 3.715 -0.593 -0.000) 3.763 10.083 ( -1.111 -0.621 0.000) 1.273 10.191 ( 29.637 37.088 -0.000) 47.475 10.683 ( 2.473 0.763 -0.000) 2.588======================= Grid point 7 (7/168) =======================q-point: (-0.39 -0.36 -0.01)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.098 ( 4.143 -1.669 -2.775) 5.259 1.242 ( 2.734 -1.004 3.708) 4.715 1.666 ( 4.158 8.843 0.319) 9.777 2.191 ( -0.356 -5.026 0.368) 5.052 2.460 ( 2.075 2.184 -0.508) 3.055 2.923 ( -1.424 0.798 -3.297) 3.679 3.041 ( 9.913 17.199 -0.900) 19.871 3.598 ( -0.218 1.965 0.030) 1.977 3.896 ( -0.190 1.085 2.910) 3.111 4.177 ( 4.064 -1.043 1.324) 4.399 5.574 ( -8.796 -10.924 -4.333) 14.679 5.731 ( -5.186 -11.792 2.042) 13.043 5.843 ( 4.217 -10.099 -0.986) 10.989 5.968 ( -1.295 -0.120 2.431) 2.758 9.601 ( -11.405 -4.556 1.831) 12.417 9.774 ( -17.075 -14.840 2.427) 22.753 10.466 ( 6.263 -0.697 -2.668) 6.843 10.615 ( 5.841 6.726 -1.306) 9.003======================= Grid point 8 (8/168) =======================q-point: ( 0.11 -0.36 -0.01)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.209 ( -7.991 -1.787 3.113) 8.760 1.469 ( -8.391 -8.920 -0.564) 12.260 1.996 ( -4.776 4.978 -0.003) 6.899 2.086 ( -3.131 0.668 -4.317) 5.374 2.410 ( -6.153 -5.694 -5.666) 10.118 3.085 ( -20.241 -6.110 -2.617) 21.304 3.689 ( -2.959 -0.280 3.845) 4.860 3.945 ( -4.589 -4.261 1.737) 6.498 4.350 ( -4.627 7.934 2.918) 9.637 4.474 ( 6.931 -12.774 -1.376) 14.598 4.531 ( 6.788 -0.113 -0.031) 6.789 4.668 ( 5.291 12.899 -0.060) 13.942 4.696 ( -14.679 18.165 -0.775) 23.368 5.622 ( 2.561 13.403 1.150) 13.694 9.086 ( -17.950 6.759 1.248) 19.221 9.697 ( -1.043 1.861 13.073) 13.246 10.256 ( 4.468 -0.258 -5.854) 7.368 10.436 ( 16.390 2.453 -6.942) 17.968======================= Grid point 9 (9/168) =======================q-point: (-0.19 0.19 -0.01)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 278Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.589 ( 5.923 -9.650 -0.000) 11.323 0.868 ( 12.065 -6.107 -0.000) 13.522 1.799 ( 9.624 -7.325 -0.000) 12.095 2.011 ( 1.138 -5.247 0.000) 5.369 2.077 ( 0.074 -6.714 0.000) 6.714 2.629 ( 3.126 -3.504 -0.000) 4.696 3.448 ( 8.930 1.867 -0.000) 9.123 3.583 ( 19.727 -18.468 -0.000) 27.022 4.225 ( 3.809 -7.797 0.000) 8.677 4.443 ( -7.494 15.488 -0.000) 17.206 4.657 ( -4.186 7.320 0.000) 8.432 5.279 ( -6.971 -16.990 0.000) 18.365 5.620 ( -36.277 -36.995 0.000) 51.814 5.640 ( 11.249 -10.254 -0.000) 15.221 8.569 ( 12.284 -5.346 -0.000) 13.397 10.060 ( -2.942 -1.311 0.000) 3.221 10.079 ( 10.178 14.488 -0.000) 17.706 10.699 ( -0.639 -0.208 0.000) 0.672======================= Grid point 10 (10/168) =======================q-point: ( 0.31 0.19 -0.01)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.010 ( -7.707 14.365 4.381) 16.880 1.251 ( 1.478 5.282 3.381) 6.443 1.881 ( 3.257 1.942 -0.156) 3.795 2.101 ( -6.170 14.858 -1.155) 16.130 2.344 ( 2.071 -0.957 7.196) 7.549 2.756 ( 0.082 6.225 2.329) 6.647 3.385 ( 3.909 -1.554 -1.505) 4.467 3.951 ( 4.917 -1.892 -7.699) 9.329 4.052 ( -0.375 4.577 0.947) 4.689 4.201 ( 1.270 -6.946 1.919) 7.317 4.705 ( 4.500 4.627 2.741) 7.012 5.415 ( 7.987 0.128 -2.949) 8.515 5.863 ( -7.585 22.210 -3.014) 23.662 6.074 ( -21.662 25.406 -3.635) 33.585 8.680 ( 16.766 8.934 -0.903) 19.019 9.158 ( 20.687 2.143 -12.100) 24.062 10.629 ( -6.246 -1.057 8.369) 10.496 10.851 ( -2.578 -8.630 5.023) 10.313======================= Grid point 11 (11/168) =======================q-point: ( 0.01 -0.26 -0.01)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 242Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.022 ( -12.262 0.000 0.903) 12.295 1.384 ( -12.390 0.000 0.532) 12.402 1.741 ( -14.279 0.000 -1.194) 14.329 2.010 ( -0.621 0.000 -8.421) 8.444 2.396 ( -3.608 0.000 -4.064) 5.434 2.654 ( -25.090 0.000 -2.712) 25.236 3.574 ( -11.553 0.000 1.820) 11.696 3.853 ( -19.812 0.000 1.787) 19.892 4.006 ( -1.653 -0.000 1.939) 2.548 4.179 ( -3.007 0.000 -0.268) 3.019 4.529 ( 1.848 -0.000 0.906) 2.059 4.678 ( 5.498 -0.000 1.161) 5.620 5.035 ( 11.722 -0.000 -0.837) 11.752 5.412 ( -5.995 0.000 2.080) 6.346 8.689 ( -14.219 0.000 0.762) 14.239 9.657 ( -2.923 -0.000 20.104) 20.316 10.371 ( 6.810 0.000 -5.110) 8.514 10.765 ( 16.936 -0.000 -11.419) 20.426======================= Grid point 12 (12/168) =======================q-point: ( 0.51 -0.26 -0.01)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.201 ( -0.575 0.153 0.818) 1.011 1.427 ( 13.307 6.209 2.400) 14.879 1.635 ( 2.851 -3.728 -0.550) 4.726 2.426 ( -0.706 1.473 -3.900) 4.228 2.578 ( 7.516 -4.526 0.928) 8.823 2.828 ( 10.534 2.345 -1.947) 10.966 2.957 ( 3.431 3.466 2.542) 5.500 3.521 ( -2.356 2.438 2.387) 4.146 4.001 ( 2.649 -6.162 -3.940) 7.779 4.284 ( 4.909 -0.426 3.143) 5.845 5.363 ( -17.591 7.029 -1.533) 19.006 5.598 ( -15.288 -4.842 0.924) 16.064 6.070 ( 11.658 -1.009 -1.824) 11.843 6.197 ( 13.005 -0.957 1.567) 13.134 9.362 ( -17.751 0.111 -0.115) 17.752 9.672 ( -19.295 -10.220 -0.486) 21.840 10.471 ( 1.874 11.109 2.015) 11.445 10.610 ( 5.149 -1.169 -1.497) 5.488======================= Grid point 13 (13/168) =======================q-point: ( 0.21 0.29 -0.01)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 442Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.851 ( 10.892 -1.616 3.938) 11.695 1.273 ( 4.160 -0.279 -0.138) 4.172 1.928 ( 4.817 1.851 -0.482) 5.183 2.099 ( 11.886 -7.922 2.413) 14.487 2.327 ( -0.245 5.405 9.221) 10.691 2.762 ( 6.612 -1.793 2.249) 7.210 3.505 ( 3.769 -2.418 -2.665) 5.211 3.948 ( 1.293 6.153 1.941) 6.580 4.103 ( 6.908 -1.406 -8.840) 11.307 4.370 ( -4.181 -12.680 1.220) 13.408 4.683 ( 5.948 8.131 1.859) 10.245 5.093 ( -6.740 24.605 -0.883) 25.527 5.154 ( -8.485 25.296 -0.920) 26.697 5.747 ( 8.092 9.137 -2.771) 12.516 8.840 ( 17.684 9.327 -1.880) 20.081 9.396 ( 9.469 3.706 -12.030) 15.752 10.497 ( -7.174 0.093 7.072) 10.074 10.852 ( -10.155 -3.229 4.641) 11.623======================= Grid point 14 (14/168) =======================q-point: (-0.29 0.29 -0.01)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.867 ( 2.515 -8.976 0.000) 9.322 1.146 ( 7.147 -2.118 -0.000) 7.454 1.909 ( -0.888 3.947 -0.000) 4.046 2.126 ( -0.083 -5.590 0.000) 5.591 2.288 ( 3.692 -10.770 0.000) 11.385 2.691 ( 2.003 0.963 -0.000) 2.223 3.516 ( 4.902 2.821 -0.000) 5.656 3.788 ( -14.792 25.830 0.000) 29.765 4.074 ( 0.067 -7.301 0.000) 7.301 4.422 ( -5.413 7.764 0.000) 9.465 4.769 ( 22.147 -18.306 -0.000) 28.733 5.488 ( -2.774 -14.982 0.000) 15.237 5.696 ( -14.704 -22.323 0.000) 26.731 5.988 ( 3.488 -7.080 0.000) 7.893 9.103 ( 22.142 -11.856 -0.000) 25.116 10.029 ( -4.758 -4.252 0.000) 6.381 10.054 ( 6.906 5.800 -0.000) 9.018 10.657 ( -4.045 -0.154 0.000) 4.048======================= Grid point 15 (15/168) =======================q-point: ( 0.42 -0.17 -0.02)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.121 ( -2.928 3.540 3.871) 6.007 1.373 ( 9.321 16.575 3.193) 19.282 1.858 ( 2.613 -4.139 -0.041) 4.895 2.333 ( -3.353 3.270 -4.099) 6.224 2.468 ( 7.818 16.220 0.412) 18.010 2.825 ( 4.467 9.058 3.482) 10.683 3.381 ( -1.552 -2.245 -1.666) 3.198 3.619 ( 12.814 -21.620 2.870) 25.296 4.145 ( 2.246 -1.287 -6.068) 6.597 4.328 ( -5.071 2.796 -0.013) 5.791 4.725 ( -17.087 11.611 5.111) 21.281 5.424 ( -12.538 -5.510 -2.272) 13.882 6.274 ( 14.671 12.671 -3.072) 19.627 6.459 ( 25.511 10.046 0.261) 27.419 8.863 ( -20.817 7.841 0.024) 22.245 9.396 ( -23.750 -6.518 -10.523) 26.782 10.376 ( 2.350 2.395 11.038) 11.536 10.713 ( 2.737 -1.059 -0.113) 2.937======================= Grid point 16 (16/168) =======================q-point: (-0.08 -0.17 -0.02)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.620 ( -18.488 10.315 -0.214) 21.172 0.995 ( -13.280 1.172 -11.847) 17.835 1.592 ( -15.583 -13.260 -1.270) 20.501 1.971 ( -10.050 6.467 -0.813) 11.979 2.078 ( -0.374 -2.432 -6.387) 6.844 2.511 ( -8.400 -10.035 -1.388) 13.160 3.296 ( -20.979 -10.463 -1.801) 23.513 3.525 ( -6.771 5.722 1.483) 8.988 4.061 ( -1.350 -4.518 2.855) 5.512 4.586 ( 4.886 -9.658 1.656) 10.950 4.652 ( 6.848 -18.380 4.155) 20.050 4.828 ( 11.507 -15.504 0.725) 19.321 5.072 ( 4.697 0.971 -0.119) 4.798 5.432 ( -7.276 -9.098 2.544) 11.924 8.488 ( -8.943 -2.331 0.570) 9.259 9.506 ( -14.845 -0.486 29.339) 32.884 10.512 ( 7.412 1.169 -6.032) 9.628 11.005 ( 12.052 9.310 -16.857) 22.718======================= Grid point 17 (17/168) =======================q-point: (-0.38 0.38 -0.02)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 278Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.992 ( -4.362 -4.370 0.000) 6.175 1.248 ( 1.920 0.657 -0.000) 2.030 1.692 ( -5.126 8.186 0.000) 9.659 2.232 ( -1.359 -6.644 0.000) 6.781 2.556 ( 0.306 -3.368 0.000) 3.382 2.694 ( 1.085 1.446 -0.000) 1.808 3.002 ( -10.048 17.416 0.000) 20.107 3.546 ( 2.640 1.710 -0.000) 3.145 4.130 ( -2.058 -2.810 0.000) 3.483 4.132 ( -6.570 8.829 0.000) 11.005 5.499 ( 15.621 -14.085 -0.000) 21.033 5.729 ( 0.690 -10.855 0.000) 10.877 5.828 ( -4.426 -9.433 0.000) 10.420 6.064 ( -0.363 0.954 -0.000) 1.021 9.710 ( 17.744 -0.754 -0.000) 17.760 10.112 ( -2.328 -15.378 0.000) 15.553 10.115 ( 7.245 3.052 -0.000) 7.861 10.541 ( -6.524 0.832 0.000) 6.577======================= Grid point 18 (18/168) =======================q-point: ( 0.12 0.38 -0.02)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.153 ( 8.355 -1.836 -2.091) 8.806 1.471 ( 7.072 -7.211 -0.396) 10.108 1.993 ( 5.811 3.434 -0.371) 6.760 2.182 ( -2.143 3.596 5.006) 6.525 2.560 ( 7.241 -9.566 7.878) 14.353 3.153 ( 20.734 -8.107 3.482) 22.533 3.606 ( 2.099 -1.129 -3.138) 3.940 3.903 ( 1.021 -1.294 -2.249) 2.788 4.263 ( 6.731 0.511 -6.034) 9.054 4.496 ( -5.163 -4.499 -0.545) 6.870 4.507 ( -2.362 7.723 -0.786) 8.114 4.674 ( -8.183 7.939 0.467) 11.411 4.732 ( 13.908 15.704 2.552) 21.132 5.599 ( -1.647 12.844 -0.928) 12.983 9.050 ( 18.092 6.366 -2.115) 19.296 9.454 ( 4.868 3.182 -10.241) 11.777 10.358 ( -5.623 0.448 5.000) 7.538 10.578 ( -17.564 1.053 5.615) 18.470======================= Grid point 19 (19/168) =======================q-point: (-0.18 -0.07 -0.02)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.768 ( 14.304 -20.643 -6.981) 26.067 0.873 ( -3.551 -9.552 -13.711) 17.083 1.556 ( -14.146 -14.389 -0.271) 20.180 2.000 ( 5.336 -11.713 3.137) 13.248 2.165 ( 1.979 -4.823 -5.263) 7.408 2.543 ( -7.301 -10.664 -0.368) 12.929 3.151 ( -17.160 -13.732 -4.243) 22.384 3.371 ( -3.829 -0.472 1.351) 4.087 4.146 ( 0.184 -4.924 4.250) 6.507 4.579 ( 5.365 10.746 -0.067) 12.010 4.708 ( 0.868 5.893 0.921) 6.027 5.378 ( -4.941 0.780 2.829) 5.746 5.407 ( 0.375 -28.678 0.152) 28.681 6.440 ( 55.362 -37.587 22.686) 70.657 8.382 ( -5.810 -1.416 0.671) 6.018 8.973 ( -38.216 1.084 28.794) 47.862 10.578 ( 4.328 5.814 -13.798) 15.586 10.873 ( 0.891 11.312 -18.626) 21.810======================= Grid point 20 (20/168) =======================q-point: ( 0.32 -0.07 -0.02)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.960 ( -3.418 5.934 9.951) 12.080 1.237 ( 12.922 19.468 3.103) 23.571 1.779 ( -6.736 8.514 0.026) 10.856 2.197 ( -0.222 6.256 0.064) 6.260 2.347 ( 9.239 14.154 -0.664) 16.916 2.725 ( 1.903 9.564 2.038) 9.962 3.316 ( -4.090 1.564 0.837) 4.458 3.584 ( -21.017 21.206 1.452) 29.892 4.200 ( 1.803 -2.761 -7.301) 8.011 4.311 ( 8.629 -13.195 0.226) 15.768 4.591 ( -2.430 -5.615 3.886) 7.249 5.323 ( -6.910 -4.637 -3.196) 8.915 6.026 ( 5.046 31.798 -0.133) 32.196 6.937 ( 46.510 15.641 -12.831) 50.719 8.422 ( -9.769 2.742 -0.604) 10.165 8.922 ( -36.061 -4.194 -18.309) 40.659 10.452 ( 2.006 -5.213 19.468) 20.253 10.770 ( 0.836 -1.697 3.439) 3.925======================= Grid point 21 (21/168) =======================q-point: ( 0.02 0.48 -0.02)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 248Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.272 ( 2.791 -0.000 -1.475) 3.156 1.667 ( 2.594 -0.000 -0.373) 2.621 1.990 ( 0.926 -0.000 1.818) 2.041 2.167 ( 0.708 -0.000 -0.073) 0.712 2.738 ( 2.026 -0.000 3.528) 4.068 3.536 ( 8.095 -0.000 3.493) 8.817 3.637 ( 0.451 0.000 -0.876) 0.985 4.079 ( 8.072 0.000 -5.708) 9.886 4.321 ( 2.198 -0.000 1.044) 2.433 4.420 ( -2.406 0.000 0.556) 2.470 4.431 ( 0.086 0.000 -3.673) 3.674 4.506 ( -12.080 0.000 1.034) 12.124 4.852 ( 16.597 -0.000 1.524) 16.667 5.301 ( -9.175 0.000 -0.044) 9.175 9.256 ( 6.295 -0.000 -0.694) 6.333 9.565 ( 10.268 -0.000 -6.936) 12.391 10.200 ( -15.263 0.000 5.333) 16.167 10.271 ( -2.165 -0.000 1.767) 2.795======================= Grid point 22 (22/168) =======================q-point: (-0.48 0.48 -0.02)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.892 ( -6.077 -1.620 0.000) 6.289 1.226 ( -0.219 1.234 -0.000) 1.253 1.536 ( -1.260 0.323 0.000) 1.300 2.257 ( -3.494 5.694 0.000) 6.680 2.302 ( -2.667 -3.650 0.000) 4.521 2.700 ( -1.194 -2.632 0.000) 2.890 3.002 ( 2.513 -2.280 -0.000) 3.394 3.563 ( 0.676 -0.237 -0.000) 0.717 3.891 ( -2.276 3.087 0.000) 3.836 4.128 ( -0.938 -0.298 0.000) 0.985 5.848 ( 0.615 3.870 -0.000) 3.918 5.889 ( 2.641 -6.155 0.000) 6.697 5.892 ( -0.259 -2.152 0.000) 2.167 5.995 ( 1.950 4.471 -0.000) 4.878 9.854 ( 4.937 3.189 -0.000) 5.877 10.216 ( 8.726 3.298 -0.000) 9.328 10.380 ( -1.291 -6.913 0.000) 7.033 10.385 ( -6.513 0.702 0.000) 6.551======================= Grid point 23 (23/168) =======================q-point: ( 0.23 0.03 -0.02)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.787 ( -0.000 6.786 17.407) 18.683 1.099 ( 0.000 19.513 3.937) 19.907 1.293 ( 0.000 22.994 1.149) 23.023 2.073 ( 0.000 8.595 -0.285) 8.600 2.266 ( 0.000 8.585 2.963) 9.082 2.363 ( 0.000 19.853 -0.032) 19.853 2.976 ( 0.000 7.525 3.932) 8.490 3.333 ( 0.000 -0.020 -1.145) 1.145 4.149 ( 0.000 5.231 -3.726) 6.422 4.651 ( -0.000 -7.768 -0.397) 7.778 4.703 ( -0.000 -8.383 -1.505) 8.517 5.286 ( 0.000 8.714 -2.838) 9.164 5.446 ( 0.000 20.167 0.379) 20.170 7.409 ( 0.000 32.694 -65.535) 73.238 8.207 ( -0.000 0.473 0.650) 0.804 8.326 ( 0.000 -0.131 -0.430) 0.449 10.624 ( -0.000 -6.925 14.834) 16.370 10.881 ( -0.000 -13.167 22.318) 25.913======================= Grid point 24 (24/168) =======================q-point: (-0.27 0.03 -0.02)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.920 ( 0.000 -6.438 -11.791) 13.434 1.423 ( -0.000 -13.562 -1.689) 13.667 1.666 ( -0.000 -15.430 -0.178) 15.431 2.193 ( -0.000 -4.796 -0.353) 4.809 2.473 ( -0.000 -9.757 0.056) 9.757 2.769 ( -0.000 -19.957 -1.322) 20.000 3.229 ( -0.000 -18.512 -4.436) 19.036 3.354 ( -0.000 -3.110 1.769) 3.578 4.216 ( -0.000 0.152 7.285) 7.287 4.459 ( 0.000 11.900 0.260) 11.902 4.515 ( 0.000 9.042 -3.790) 9.804 5.246 ( 0.000 5.460 3.174) 6.316 6.083 ( -0.000 -35.371 -0.552) 35.375 7.755 ( -0.000 -6.206 36.089) 36.618 8.218 ( -0.000 -0.563 -0.534) 0.776 8.323 ( -0.000 0.185 0.373) 0.417 10.472 ( 0.000 6.009 -21.208) 22.043 10.780 ( 0.000 1.155 -3.027) 3.240======================= Grid point 25 (25/168) =======================q-point: ( 0.43 -0.43 -0.03)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 278Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.952 ( -0.293 -7.489 0.000) 7.495 1.255 ( 1.072 -1.457 -0.000) 1.808 1.609 ( 2.520 -6.781 0.000) 7.234 2.264 ( -4.154 -0.432 0.000) 4.176 2.449 ( 9.477 -10.546 -0.000) 14.179 2.743 ( -3.935 -6.396 0.000) 7.510 2.932 ( -1.735 1.452 0.000) 2.263 3.584 ( -1.198 -2.375 0.000) 2.660 3.999 ( 6.288 -7.204 -0.000) 9.562 4.106 ( 0.318 2.000 -0.000) 2.025 5.672 ( -1.248 14.942 -0.000) 14.994 5.732 ( -0.315 13.288 -0.000) 13.292 5.855 ( -6.446 4.119 0.000) 7.650 6.040 ( 3.038 0.706 -0.000) 3.119 9.876 ( 2.315 1.458 -0.000) 2.735 10.208 ( -12.556 9.629 0.000) 15.823 10.228 ( -3.544 1.643 0.000) 3.906 10.376 ( 8.893 1.945 -0.000) 9.103======================= Grid point 26 (26/168) =======================q-point: (-0.07 -0.43 -0.03)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.268 ( -2.939 0.458 1.302) 3.247 1.575 ( -2.851 7.608 0.069) 8.125 2.081 ( -3.229 -2.972 -0.200) 4.393 2.137 ( 2.352 -1.511 -1.533) 3.188 2.656 ( -2.366 7.304 -3.178) 8.310 3.533 ( -13.633 5.481 -5.105) 15.555 3.632 ( -0.509 0.215 3.457) 3.501 3.929 ( -2.426 10.877 4.868) 12.161 4.216 ( 9.984 17.387 -1.325) 20.093 4.396 ( 1.236 3.973 1.784) 4.527 4.479 ( 0.342 -12.850 -0.899) 12.886 4.565 ( 1.921 -14.645 0.655) 14.785 5.089 ( -15.735 -17.730 -1.160) 23.733 5.481 ( 8.754 -14.267 0.443) 16.745 9.320 ( -5.722 -6.353 0.886) 8.596 9.621 ( -12.153 -5.484 6.798) 14.966 10.217 ( 15.384 -1.621 -5.536) 16.430 10.279 ( 2.520 -0.802 -1.614) 3.098======================= Grid point 27 (27/168) =======================q-point: (-0.37 0.12 -0.03)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.057 ( 2.707 -3.915 -6.919) 8.398 1.552 ( -7.092 -12.370 -1.275) 14.316 1.896 ( -1.208 -3.683 -0.374) 3.894 2.284 ( 1.506 -3.151 4.583) 5.762 2.588 ( -3.584 -8.888 -3.499) 10.202 2.963 ( -8.030 -13.557 -1.609) 15.838 3.366 ( -2.534 -5.507 0.843) 6.121 3.880 ( -9.855 17.549 0.400) 20.131 4.024 ( 17.742 -17.172 -2.548) 24.823 4.190 ( -0.553 6.731 7.268) 9.921 4.518 ( 6.509 1.314 -4.944) 8.279 5.200 ( 8.307 7.698 2.381) 11.572 6.560 ( -12.487 -20.957 0.922) 24.413 7.108 ( -37.037 -2.639 5.466) 37.531 8.487 ( 15.276 -3.654 0.204) 15.708 8.809 ( 33.693 7.283 8.313) 35.460 10.412 ( -1.166 -1.561 -12.176) 12.331 10.760 ( -1.761 -0.322 0.650) 1.904======================= Grid point 28 (28/168) =======================q-point: ( 0.13 0.12 -0.03)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.384 ( -2.937 9.374 11.841) 15.385 0.757 ( 9.382 4.643 18.077) 20.890 1.219 ( 21.336 19.418 4.584) 29.212 1.832 ( 1.832 4.759 -2.633) 5.740 2.102 ( -0.355 2.563 6.352) 6.859 2.317 ( 9.803 9.581 2.262) 13.893 2.980 ( 9.087 3.977 2.459) 10.219 3.400 ( 5.379 -3.405 -1.099) 6.460 4.050 ( 0.107 4.207 -2.186) 4.742 4.664 ( -3.679 3.686 -0.264) 5.215 4.761 ( -2.403 3.941 -4.590) 6.510 5.044 ( 5.503 4.710 -3.232) 7.931 5.333 ( -23.151 38.768 -13.873) 47.238 5.408 ( -22.534 32.932 -11.369) 41.492 8.363 ( 3.791 0.558 -0.614) 3.881 8.973 ( 40.388 0.723 -36.386) 54.366 10.641 ( -4.786 -1.297 5.054) 7.080 11.251 ( -12.088 -24.846 27.287) 38.834======================= Grid point 29 (29/168) =======================q-point: (-0.17 -0.33 -0.03)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 442Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.089 ( -11.095 4.435 -0.241) 11.951 1.351 ( -3.484 4.233 0.734) 5.532 1.981 ( -0.646 4.255 -0.078) 4.304 2.315 ( -1.382 -6.129 -2.774) 6.868 2.351 ( -9.234 8.250 -6.902) 14.176 2.950 ( -12.471 10.264 -1.160) 16.194 3.563 ( -1.894 3.050 3.435) 4.969 3.916 ( 5.345 3.785 1.081) 6.638 4.055 ( 6.560 14.280 -1.120) 15.755 4.329 ( 1.556 5.111 5.331) 7.547 4.829 ( -3.483 -19.923 -2.630) 20.395 5.011 ( 4.070 -21.967 0.856) 22.357 5.138 ( -11.311 -22.097 -1.101) 24.848 5.832 ( 0.011 -10.062 1.601) 10.188 9.234 ( -19.988 -12.276 2.570) 23.597 9.532 ( -5.681 -4.526 8.984) 11.553 10.365 ( 5.634 -0.304 -5.240) 7.700 10.607 ( 14.378 -1.727 -4.862) 15.276======================= Grid point 30 (30/168) =======================q-point: ( 0.33 -0.33 -0.03)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.997 ( -8.678 -5.654 0.000) 10.357 1.254 ( -3.298 -0.074 0.000) 3.298 1.854 ( 4.036 -7.726 0.000) 8.716 2.185 ( -5.388 -1.715 0.000) 5.655 2.380 ( -5.214 11.404 -0.000) 12.540 2.766 ( -5.740 -5.485 0.000) 7.939 3.466 ( 16.744 -26.786 -0.000) 31.589 3.600 ( -3.445 -3.800 0.000) 5.129 4.059 ( 0.823 4.369 -0.000) 4.446 4.296 ( 7.011 -7.661 -0.000) 10.385 5.169 ( -14.835 19.470 0.000) 24.477 5.426 ( 2.643 19.289 -0.000) 19.469 5.551 ( -0.430 18.505 -0.000) 18.510 6.030 ( 0.202 4.661 -0.000) 4.666 9.572 ( -23.363 13.397 0.000) 26.931 9.920 ( 5.621 3.436 -0.000) 6.588 10.143 ( -2.844 -0.336 0.000) 2.864 10.524 ( 9.338 2.708 -0.000) 9.723======================= Grid point 31 (31/168) =======================q-point: ( 0.03 0.22 -0.03)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 242Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.753 ( 13.799 -0.000 3.319) 14.193 1.076 ( 18.268 -0.000 0.887) 18.289 1.381 ( 20.477 -0.000 8.584) 22.203 2.041 ( -3.024 -0.000 8.591) 9.108 2.165 ( 22.204 -0.000 1.816) 22.278 2.297 ( 6.530 -0.000 1.221) 6.643 3.202 ( 18.556 -0.000 0.828) 18.575 3.654 ( 5.053 0.000 -4.429) 6.719 3.987 ( 0.500 0.000 -1.009) 1.126 4.125 ( 2.223 -0.000 0.103) 2.226 4.559 ( -1.139 0.000 -1.102) 1.585 4.777 ( -4.204 0.000 -0.724) 4.266 5.234 ( -7.915 0.000 0.646) 7.941 5.237 ( 10.192 -0.000 -3.682) 10.837 8.466 ( 7.900 -0.000 -0.482) 7.915 9.499 ( 14.606 0.000 -30.894) 34.173 10.521 ( -7.579 0.000 4.768) 8.954 11.114 ( -18.736 -0.000 16.775) 25.149======================= Grid point 32 (32/168) =======================q-point: (-0.47 0.22 -0.03)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.161 ( 2.612 -0.922 -3.225) 4.251 1.655 ( -4.563 -9.982 -0.925) 11.015 1.729 ( -10.207 7.148 0.329) 12.466 2.384 ( 2.671 -2.371 7.258) 8.090 2.673 ( -2.400 -2.381 -4.107) 5.319 3.073 ( -6.356 -6.647 -0.113) 9.197 3.095 ( -15.181 12.816 -0.524) 19.875 3.501 ( -1.734 -6.389 -2.190) 6.973 4.039 ( -0.751 7.495 4.280) 8.663 4.355 ( -1.332 0.085 -2.762) 3.068 4.969 ( 20.904 -10.326 0.305) 23.318 5.279 ( 15.142 7.945 -0.051) 17.100 6.385 ( -19.017 1.486 3.390) 19.374 6.545 ( -21.656 1.333 -2.786) 21.875 8.967 ( 21.081 -2.062 -0.047) 21.182 9.215 ( 25.845 11.483 1.017) 28.299 10.501 ( -1.124 -9.844 -3.193) 10.410 10.707 ( -4.408 -0.501 2.197) 4.951======================= Grid point 33 (33/168) =======================q-point: ( 0.24 -0.24 -0.04)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 278Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.867 ( -17.390 -9.345 0.000) 19.742 1.099 ( -10.133 2.578 0.000) 10.456 1.937 ( -4.107 1.318 0.000) 4.313 2.093 ( -1.820 8.693 -0.000) 8.881 2.108 ( -7.613 -3.445 0.000) 8.356 2.712 ( -6.079 -0.707 0.000) 6.120 3.583 ( -5.727 -3.846 0.000) 6.899 3.898 ( -7.948 10.310 0.000) 13.018 4.262 ( 10.817 -22.023 0.000) 24.536 4.430 ( -17.214 15.508 0.000) 23.170 4.555 ( 5.829 -5.950 -0.000) 8.330 5.135 ( 6.815 18.833 -0.000) 20.028 5.161 ( 11.313 31.548 -0.000) 33.515 5.828 ( -6.528 9.695 0.000) 11.688 8.885 ( -18.818 9.628 0.000) 21.138 9.984 ( 4.492 1.035 -0.000) 4.610 10.155 ( -0.149 -4.767 0.000) 4.769 10.637 ( 6.224 1.601 -0.000) 6.427======================= Grid point 34 (34/168) =======================q-point: (-0.26 -0.24 -0.04)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.926 ( -0.515 -8.818 -4.525) 9.925 1.288 ( -1.472 -1.594 -0.260) 2.185 1.903 ( 1.059 4.176 0.134) 4.310 2.063 ( -2.561 -4.728 0.076) 5.377 2.399 ( -3.131 -1.220 -5.177) 6.172 2.773 ( -1.601 -3.352 -2.917) 4.723 3.454 ( -2.394 3.523 2.334) 4.857 3.825 ( 10.997 19.308 -0.393) 22.224 4.022 ( 1.139 0.454 2.103) 2.434 4.291 ( -0.483 -0.739 4.526) 4.611 4.917 ( -15.786 -14.576 -5.153) 22.096 5.470 ( 1.932 -14.877 1.001) 15.035 5.663 ( 10.476 -21.659 0.858) 24.075 5.911 ( -2.790 -8.749 3.020) 9.667 9.064 ( -20.902 -12.879 1.512) 24.598 9.472 ( -10.918 -4.200 10.618) 15.798 10.495 ( 6.675 0.281 -7.252) 9.861 10.778 ( 5.091 4.605 -3.871) 7.882======================= Grid point 35 (35/168) =======================q-point: ( 0.44 0.31 -0.04)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.158 ( -1.456 4.797 0.904) 5.094 1.346 ( -7.056 7.479 -0.728) 10.308 1.757 ( -4.588 -9.639 -0.543) 10.689 2.258 ( -6.840 15.673 -0.738) 17.117 2.472 ( 0.518 -1.945 4.729) 5.139 2.882 ( 1.932 0.515 0.168) 2.006 3.227 ( -6.791 -15.331 -0.621) 16.779 3.615 ( -2.963 -8.278 1.282) 8.885 3.907 ( -0.776 2.285 -2.550) 3.511 4.265 ( -4.228 1.749 -2.396) 5.165 5.297 ( 16.698 11.869 5.112) 21.114 5.571 ( 12.391 0.209 -3.133) 12.783 5.959 ( -8.936 9.871 1.246) 13.373 6.074 ( -11.703 11.220 -2.400) 16.389 9.296 ( 18.666 8.723 1.126) 20.634 9.432 ( 17.196 10.558 -5.653) 20.955 10.600 ( -6.815 -0.638 3.551) 7.711 10.691 ( -2.096 -9.548 0.895) 9.816======================= Grid point 36 (36/168) =======================q-point: (-0.06 0.31 -0.04)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.971 ( 15.167 6.174 -3.570) 16.760 1.259 ( 12.199 6.810 5.167) 14.896 1.852 ( 10.118 -6.960 -0.171) 12.282 2.040 ( 0.884 -2.950 7.800) 8.386 2.252 ( 10.564 9.612 1.685) 14.382 2.718 ( 14.212 -2.549 2.452) 14.645 3.605 ( 6.059 -0.506 -2.621) 6.620 3.764 ( 15.932 -1.420 1.199) 16.040 4.146 ( 9.169 -8.201 -3.810) 12.878 4.504 ( -0.596 -23.385 -0.765) 23.405 4.567 ( -2.942 -2.380 0.632) 3.836 4.676 ( -6.163 1.319 -1.154) 6.407 4.898 ( -11.308 1.532 0.812) 11.440 5.585 ( 5.813 -12.176 -2.041) 13.646 8.734 ( 15.388 -4.671 -0.911) 16.107 9.670 ( 3.243 -1.168 -19.137) 19.445 10.366 ( -6.592 0.629 6.125) 9.020 10.748 ( -13.947 1.479 10.241) 17.366======================= Grid point 37 (37/168) =======================q-point: (-0.36 -0.14 -0.04)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 442Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.177 ( 0.132 -3.307 -0.878) 3.424 1.448 ( 7.120 -13.466 -3.327) 15.592 1.854 ( 3.343 4.726 0.394) 5.802 2.313 ( -3.537 1.217 -3.032) 4.815 2.464 ( 10.319 -19.866 0.489) 22.392 2.882 ( 2.874 -6.594 -1.523) 7.352 3.336 ( -0.179 5.360 2.660) 5.986 3.685 ( 10.007 16.087 -3.294) 19.230 4.013 ( 1.240 2.595 6.256) 6.885 4.324 ( -4.831 -6.841 0.185) 8.377 4.843 ( -15.100 -8.869 -5.944) 18.493 5.357 ( -14.134 5.073 4.101) 15.567 6.220 ( 15.823 -12.955 1.585) 20.511 6.448 ( 22.067 -12.868 1.485) 25.588 8.867 ( -20.794 -8.973 -0.453) 22.652 9.190 ( -23.127 -1.162 8.885) 24.802 10.593 ( 4.349 2.791 -9.174) 10.529 10.712 ( 1.782 4.833 -0.027) 5.151======================= Grid point 38 (38/168) =======================q-point: ( 0.14 -0.14 -0.04)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.710 ( -24.578 -18.929 0.000) 31.022 0.761 ( -15.443 4.371 0.000) 16.049 1.578 ( -16.480 15.747 0.000) 22.793 1.977 ( 1.228 3.440 -0.000) 3.653 2.001 ( -11.058 -4.668 0.000) 12.003 2.501 ( -7.585 10.244 0.000) 12.747 3.276 ( -21.561 9.376 0.000) 23.512 3.543 ( -6.886 -6.364 0.000) 9.377 4.092 ( -1.813 5.544 -0.000) 5.833 4.600 ( 2.814 -0.609 -0.000) 2.879 4.760 ( 22.551 47.922 -0.000) 52.963 4.772 ( 3.366 -1.007 -0.000) 3.513 5.071 ( 5.526 -2.178 -0.000) 5.939 5.462 ( -7.450 9.434 0.000) 12.021 8.494 ( -9.014 2.421 0.000) 9.334 10.045 ( 2.715 0.425 -0.000) 2.748 10.334 ( 3.431 -9.778 0.000) 10.363 10.727 ( 1.276 -3.772 0.000) 3.982======================= Grid point 39 (39/168) =======================q-point: (-0.16 0.41 -0.04)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.120 ( 12.493 7.534 -3.353) 14.969 1.329 ( 4.629 3.940 3.170) 6.855 1.978 ( 0.310 4.688 0.138) 4.701 2.208 ( 5.326 -7.486 4.605) 10.277 2.285 ( 6.904 4.630 1.808) 8.507 2.919 ( 13.156 9.050 1.393) 16.029 3.643 ( 3.360 3.871 -3.620) 6.276 3.945 ( -4.304 3.392 -1.632) 5.718 4.023 ( -9.827 18.313 1.786) 20.860 4.407 ( -4.243 4.615 -2.123) 6.619 4.778 ( 7.415 -20.489 2.025) 21.884 5.020 ( -4.353 -21.366 -0.053) 21.805 5.132 ( 10.080 -22.866 -0.264) 24.990 5.865 ( -1.039 -10.451 -1.397) 10.596 9.279 ( 20.032 -12.741 -1.636) 23.797 9.741 ( 1.695 -2.373 -10.833) 11.219 10.250 ( -3.627 0.311 6.426) 7.385 10.499 ( -13.500 -3.580 4.848) 14.785======================= Grid point 40 (40/168) =======================q-point: ( 0.34 0.41 -0.04)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.087 ( 5.159 -0.938 3.774) 6.460 1.245 ( 0.362 -1.731 -3.597) 4.008 1.853 ( -3.650 -9.009 0.087) 9.721 2.213 ( 9.749 -6.519 1.006) 11.771 2.493 ( -1.725 -0.704 1.456) 2.365 2.874 ( 1.997 1.943 2.112) 3.496 3.380 ( -5.573 -12.522 -2.048) 13.858 3.704 ( -5.214 -10.983 4.948) 13.126 3.963 ( 1.765 -4.808 -4.227) 6.641 4.148 ( -3.274 1.424 -3.583) 5.058 5.280 ( 5.320 18.485 3.809) 19.609 5.413 ( 1.246 20.181 -2.045) 20.322 5.560 ( 2.183 17.973 1.091) 18.138 5.936 ( 2.457 3.966 -1.695) 4.964 9.458 ( 21.413 14.904 -1.907) 26.159 9.506 ( 7.828 6.684 -4.163) 11.103 10.462 ( -7.140 -0.071 3.381) 7.901 10.688 ( -9.868 -1.056 2.039) 10.131======================= Grid point 41 (41/168) =======================q-point: ( 0.05 -0.05 -0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.363 ( -17.849 0.000 0.000) 17.849 0.591 ( -27.199 0.000 0.000) 27.199 0.683 ( -32.046 0.000 0.000) 32.046 1.802 ( -11.794 0.000 0.000) 11.794 1.973 ( 1.092 -0.000 -0.000) 1.092 2.150 ( -7.511 0.000 0.000) 7.511 2.928 ( -7.146 0.000 0.000) 7.146 3.661 ( -1.493 0.000 0.000) 1.493 3.984 ( -0.360 0.000 0.000) 0.360 4.094 ( -1.030 0.000 0.000) 1.030 4.588 ( 0.579 -0.000 -0.000) 0.579 4.805 ( 0.604 -0.000 -0.000) 0.604 5.120 ( -5.734 0.000 0.000) 5.734 5.348 ( 4.003 -0.000 -0.000) 4.003 8.364 ( -3.097 0.000 0.000) 3.097 10.076 ( 1.025 -0.000 -0.000) 1.025 10.580 ( 6.623 -0.000 -0.000) 6.623 10.873 ( 1.557 -0.000 -0.000) 1.557======================= Grid point 42 (42/168) =======================q-point: ( 0.55 -0.05 -0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.176 ( -1.187 -0.000 -0.000) 1.187 1.696 ( 0.938 -0.000 -0.000) 0.938 1.941 ( 8.048 -0.000 -0.000) 8.048 2.237 ( -2.215 -0.000 -0.000) 2.215 2.761 ( 1.177 -0.000 0.000) 1.177 3.140 ( 0.540 -0.000 -0.000) 0.540 3.428 ( 16.703 -0.000 0.000) 16.703 3.672 ( 12.057 0.000 -0.000) 12.057 3.970 ( -4.101 -0.000 -0.000) 4.101 4.304 ( -6.923 -0.000 -0.000) 6.923 4.543 ( -20.564 -0.000 -0.000) 20.564 5.062 ( -5.888 -0.000 0.000) 5.888 6.748 ( 19.283 -0.000 0.000) 19.283 7.076 ( 26.454 -0.000 -0.000) 26.454 8.546 ( -19.264 -0.000 -0.000) 19.264 8.638 ( -28.461 -0.000 -0.000) 28.461 10.581 ( 1.005 -0.000 -0.000) 1.005 10.734 ( 2.331 -0.000 -0.000) 2.331======================= Grid point 44 (43/168) =======================q-point: ( 0.25 0.50 -0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.242 ( 4.273 -0.315 -0.382) 4.301 1.415 ( 3.042 -9.675 0.548) 10.157 1.974 ( -1.036 -8.581 0.071) 8.643 2.353 ( -2.436 8.844 2.135) 9.418 2.509 ( -1.820 -6.274 -1.321) 6.665 3.250 ( 18.122 -22.200 -0.884) 28.671 3.484 ( -6.808 -10.651 -2.170) 12.825 3.807 ( -7.075 -8.944 6.531) 13.142 4.010 ( -1.594 -1.895 0.619) 2.552 4.201 ( 3.420 -5.807 -6.492) 9.357 4.863 ( -1.275 22.186 0.912) 22.241 4.944 ( -0.436 23.901 -0.871) 23.921 5.476 ( 13.228 15.788 2.983) 20.812 5.729 ( -7.142 12.104 -1.447) 14.128 9.465 ( 5.527 9.025 -0.550) 10.597 9.652 ( 20.314 10.490 -4.676) 23.336 10.329 ( -6.186 0.489 2.323) 6.626 10.360 ( -16.846 3.495 2.428) 17.375======================= Grid point 45 (44/168) =======================q-point: (-0.25 0.50 -0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.153 ( 6.556 10.139 0.157) 12.075 1.292 ( -1.889 1.975 0.572) 2.792 1.779 ( -2.487 9.847 0.146) 10.157 2.319 ( 6.861 4.654 0.989) 8.349 2.482 ( 1.600 -6.609 0.652) 6.831 2.928 ( 9.035 12.632 -0.373) 15.535 3.156 ( -13.276 21.816 1.577) 25.586 3.628 ( 1.166 3.221 -2.198) 4.070 4.047 ( 0.465 -3.011 -0.501) 3.088 4.164 ( -5.988 7.636 1.163) 9.773 5.292 ( 1.178 -21.542 -0.843) 21.591 5.403 ( -0.873 -21.283 0.753) 21.315 5.696 ( 10.093 -10.929 -0.650) 14.891 5.963 ( -5.139 -7.285 -0.194) 8.917 9.738 ( -3.585 -9.814 -2.145) 10.667 10.024 ( 20.089 -7.377 -3.076) 21.621 10.204 ( -5.210 -3.462 3.976) 7.412 10.333 ( -7.966 -3.030 1.042) 8.586======================= Grid point 46 (45/168) =======================q-point: ( 0.45 0.05 -0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.146 ( -0.000 1.684 1.858) 2.507 1.643 ( 0.000 6.330 0.827) 6.384 1.922 ( 0.000 9.587 0.854) 9.625 2.248 ( -0.000 -2.538 3.687) 4.476 2.685 ( 0.000 8.601 1.850) 8.798 3.098 ( 0.000 5.971 2.549) 6.492 3.467 ( 0.000 16.297 -2.866) 16.547 3.590 ( 0.000 13.133 -6.935) 14.852 4.113 ( -0.000 2.125 5.654) 6.040 4.185 ( -0.000 -15.616 -0.009) 15.616 4.437 ( -0.000 -8.950 1.503) 9.075 5.050 ( 0.000 -3.874 -5.191) 6.477 6.708 ( 0.000 25.550 0.878) 25.565 7.393 ( 0.000 8.211 -14.817) 16.940 8.237 ( -0.000 0.204 0.449) 0.493 8.313 ( 0.000 -0.020 -0.335) 0.336 10.677 ( -0.000 -8.080 9.613) 12.558 10.766 ( -0.000 -0.946 0.705) 1.180======================= Grid point 47 (46/168) =======================q-point: (-0.05 0.05 -0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.278 ( -0.000 -14.077 0.000) 14.077 0.574 ( -0.000 -27.676 0.000) 27.676 0.702 ( -0.000 -33.826 0.000) 33.826 2.010 ( -0.000 -2.555 0.000) 2.555 2.016 ( -0.000 -7.850 0.000) 7.850 2.058 ( -0.000 -11.202 0.000) 11.202 2.872 ( -0.000 -1.109 0.000) 1.109 3.347 ( 0.000 0.220 -0.000) 0.220 4.071 ( -0.000 -4.829 0.000) 4.829 4.742 ( -0.000 -11.271 0.000) 11.271 4.769 ( 0.000 3.848 -0.000) 3.848 5.029 ( -0.000 -0.341 0.000) 0.341 5.396 ( -0.000 -0.358 0.000) 0.358 8.192 ( -0.000 -0.293 0.000) 0.293 8.333 ( 0.000 0.079 -0.000) 0.079 8.580 ( 0.000 4.751 -0.000) 4.751 10.093 ( -0.000 -0.708 0.000) 0.708 10.673 ( -0.000 -1.659 0.000) 1.659======================= Grid point 48 (47/168) =======================q-point: (-0.35 -0.40 -0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.016 ( 3.353 8.167 0.794) 8.864 1.232 ( -1.193 -0.009 1.297) 1.762 1.603 ( 1.724 6.954 0.157) 7.166 2.266 ( -6.662 5.146 -0.144) 8.420 2.380 ( 5.493 4.593 0.985) 7.227 2.852 ( 6.529 14.181 -1.123) 15.652 2.945 ( 1.010 -3.905 -2.490) 4.740 3.602 ( 0.058 0.500 0.395) 0.640 3.927 ( -2.927 5.013 2.613) 6.366 4.113 ( 2.102 -1.179 -0.309) 2.430 5.648 ( -1.057 -14.024 -1.346) 14.128 5.761 ( 1.741 -13.857 0.462) 13.974 5.872 ( -3.985 -3.090 -2.541) 5.647 6.008 ( -1.603 -2.086 2.642) 3.728 9.779 ( -6.630 -5.664 1.586) 8.863 10.101 ( -14.586 -9.383 1.518) 17.409 10.354 ( 4.583 -1.024 -1.508) 4.932 10.446 ( 10.872 0.968 -1.421) 11.007======================= Grid point 49 (48/168) =======================q-point: ( 0.15 -0.40 -0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.289 ( -0.291 -0.415 0.674) 0.843 1.588 ( -3.030 -7.577 1.046) 8.227 2.090 ( -4.943 4.445 1.174) 6.750 2.121 ( -0.007 -1.545 -0.340) 1.582 2.531 ( -5.889 -4.912 -7.426) 10.675 3.454 ( -14.446 -5.721 -2.517) 15.740 3.732 ( -1.288 1.833 5.172) 5.636 4.029 ( -1.891 -12.842 4.686) 13.800 4.177 ( 13.212 -19.469 -2.282) 23.639 4.387 ( 4.842 -2.823 -2.183) 6.015 4.459 ( -1.376 13.587 -0.860) 13.684 4.573 ( 2.634 14.297 0.152) 14.538 5.101 ( -18.425 17.040 1.657) 25.151 5.485 ( 10.192 14.803 0.055) 17.972 9.340 ( -4.685 6.702 0.899) 8.226 9.757 ( -0.351 5.238 6.350) 8.239 10.087 ( 6.304 1.519 -6.704) 9.327 10.261 ( -0.130 0.797 -0.262) 0.849======================= Grid point 50 (49/168) =======================q-point: (-0.15 0.15 -0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 278Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.644 ( 9.174 -10.172 -0.000) 13.698 0.733 ( -17.412 -26.685 0.000) 31.863 1.553 ( 14.735 -15.139 -0.000) 21.126 2.072 ( -7.112 -12.551 0.000) 14.426 2.081 ( -0.262 -5.442 0.000) 5.449 2.540 ( 7.165 -10.350 -0.000) 12.588 3.104 ( 17.044 -12.776 -0.000) 21.301 3.386 ( 4.072 -0.832 -0.000) 4.156 4.193 ( 0.377 -6.821 0.000) 6.831 4.577 ( -5.881 10.577 0.000) 12.101 4.715 ( -1.330 8.811 -0.000) 8.911 5.397 ( -4.091 -12.728 0.000) 13.370 5.419 ( 9.084 -15.132 -0.000) 17.649 6.700 ( -71.011 -30.460 0.000) 77.269 8.388 ( 5.769 -1.436 -0.000) 5.945 9.593 ( 41.785 23.757 -0.000) 48.066 10.102 ( -1.278 -1.487 0.000) 1.961 10.705 ( -0.490 -1.807 0.000) 1.872======================= Grid point 51 (50/168) =======================q-point: ( 0.35 0.15 -0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.111 ( -0.290 3.506 3.342) 4.852 1.318 ( -9.168 15.863 4.132) 18.782 1.779 ( 6.511 9.020 0.001) 11.124 2.261 ( -5.294 11.382 5.155) 13.570 2.345 ( -5.234 5.532 2.621) 8.054 2.770 ( -1.540 11.302 2.087) 11.596 3.313 ( 2.735 -0.542 -1.173) 3.025 3.600 ( 21.160 18.348 -1.753) 28.062 4.081 ( -1.652 1.066 -2.182) 2.937 4.323 ( -8.364 -14.990 0.813) 17.185 4.646 ( 3.481 -1.185 0.943) 3.796 5.233 ( 7.787 -5.272 -5.333) 10.811 6.017 ( -6.722 31.612 -0.627) 32.325 6.639 ( -31.290 25.149 -14.034) 42.526 8.403 ( 10.206 3.072 -1.128) 10.718 8.648 ( 28.085 1.460 -8.321) 29.328 10.732 ( -3.626 -1.229 7.838) 8.723 10.894 ( -1.730 -12.394 7.695) 14.690======================= Grid point 52 (51/168) =======================q-point: ( 0.06 -0.31 -0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 242Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.223 ( -7.077 0.000 2.278) 7.435 1.581 ( -7.198 0.000 0.635) 7.226 1.916 ( -4.357 0.000 0.404) 4.376 2.094 ( -6.176 0.000 -3.277) 6.991 2.472 ( -4.567 0.000 -8.159) 9.350 3.133 ( -21.391 0.000 -3.045) 21.607 3.684 ( -2.525 -0.000 3.529) 4.339 4.066 ( -4.673 -0.000 3.402) 5.780 4.243 ( -3.268 0.000 -0.342) 3.286 4.374 ( -27.152 0.000 1.861) 27.216 4.482 ( 2.975 -0.000 0.388) 3.000 4.560 ( 5.893 -0.000 -0.211) 5.896 4.765 ( 14.788 -0.000 -1.187) 14.835 5.446 ( 3.009 -0.000 0.964) 3.160 9.019 ( -17.132 0.000 1.078) 17.166 9.677 ( -0.518 -0.000 13.979) 13.988 10.258 ( 4.576 0.000 -5.391) 7.071 10.411 ( 17.610 -0.000 -8.020) 19.351======================= Grid point 53 (52/168) =======================q-point: ( 0.56 -0.31 -0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.098 ( 10.747 3.163 -0.205) 11.204 1.265 ( 1.941 -1.042 3.018) 3.736 1.577 ( 2.762 -1.195 -0.288) 3.023 2.374 ( 6.096 -1.913 -0.679) 6.425 2.406 ( 7.508 -4.184 0.759) 8.629 2.700 ( 2.284 7.399 -3.817) 8.633 2.944 ( -1.358 2.475 1.293) 3.105 3.569 ( -2.049 1.292 2.525) 3.498 3.943 ( 2.915 -5.364 -1.898) 6.393 4.185 ( 4.397 0.200 1.369) 4.609 5.661 ( -11.593 2.985 -2.650) 12.261 5.853 ( -7.595 -0.322 1.697) 7.789 5.919 ( 2.252 0.812 0.019) 2.394 6.009 ( 5.754 -3.405 0.199) 6.689 9.672 ( -12.665 -2.591 -0.060) 12.928 9.998 ( -13.282 -6.630 0.019) 14.845 10.425 ( 2.575 10.918 0.792) 11.246 10.502 ( 5.571 -2.110 -0.800) 6.011======================= Grid point 54 (53/168) =======================q-point: ( 0.26 0.24 -0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 442Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.736 ( -1.587 10.088 8.498) 13.286 1.186 ( 4.453 2.299 2.964) 5.823 1.784 ( 9.297 7.626 -0.756) 12.049 1.926 ( 4.078 2.521 -0.392) 4.810 2.332 ( -0.249 2.400 12.068) 12.307 2.661 ( 4.043 3.371 1.744) 5.546 3.419 ( 4.503 -1.818 -2.004) 5.253 3.680 ( 22.530 18.578 3.009) 29.356 4.024 ( -0.752 1.145 -6.089) 6.242 4.476 ( -5.212 -13.686 0.830) 14.668 4.651 ( -0.960 1.522 -2.253) 2.883 5.266 ( -8.231 17.901 -0.437) 19.708 5.416 ( -15.913 30.720 -6.625) 35.225 5.547 ( 7.662 15.282 -3.622) 17.475 8.541 ( 11.849 5.222 -1.227) 13.007 9.107 ( 19.845 2.934 -14.010) 24.468 10.641 ( -6.682 -0.349 7.772) 10.256 11.033 ( -8.135 -9.785 5.868) 14.013======================= Grid point 55 (54/168) =======================q-point: (-0.24 0.24 -0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.941 ( -9.706 -21.550 0.000) 23.634 0.983 ( 8.483 -5.335 -0.000) 10.021 1.883 ( 3.385 -1.426 -0.000) 3.673 2.192 ( -6.115 -12.777 0.000) 14.165 2.233 ( 1.833 -8.947 0.000) 9.133 2.676 ( -0.304 -2.272 0.000) 2.293 3.409 ( 5.409 1.490 -0.000) 5.610 3.966 ( 14.162 -18.010 -0.000) 22.912 4.060 ( -12.261 22.532 -0.000) 25.652 4.399 ( 10.413 -10.686 -0.000) 14.921 4.509 ( -2.955 8.380 -0.000) 8.886 5.486 ( 4.083 -2.791 -0.000) 4.946 5.953 ( -1.397 -20.614 0.000) 20.661 6.180 ( -34.285 -20.828 0.000) 40.116 8.703 ( 17.144 -8.111 -0.000) 18.966 9.804 ( 19.507 13.578 -0.000) 23.767 10.107 ( -2.937 -3.914 0.000) 4.893 10.708 ( -1.695 -0.454 0.000) 1.755======================= Grid point 56 (55/168) =======================q-point: ( 0.46 -0.21 -0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.105 ( 5.428 11.572 -0.162) 12.783 1.265 ( 0.049 4.257 5.384) 6.864 1.787 ( 4.412 -8.038 -0.458) 9.181 2.303 ( 6.705 13.825 -1.014) 15.398 2.423 ( -4.551 4.866 -3.989) 7.766 2.774 ( 1.209 4.464 4.915) 6.749 3.263 ( 13.175 -23.427 -0.994) 26.896 3.510 ( -1.874 -2.040 2.702) 3.869 4.095 ( 2.386 -1.986 -5.681) 6.474 4.305 ( 4.730 -2.602 2.148) 5.810 5.131 ( -20.382 15.040 1.911) 25.402 5.650 ( -8.531 1.718 -0.627) 8.725 5.990 ( 12.067 9.351 -1.959) 15.391 6.122 ( 8.686 7.609 0.100) 11.548 9.294 ( -21.319 7.312 -0.404) 22.541 9.766 ( -13.345 0.177 -9.963) 16.655 10.320 ( 3.100 3.328 9.424) 10.464 10.650 ( 3.699 -2.599 0.615) 4.563======================= Grid point 58 (56/168) =======================q-point: (-0.34 0.34 -0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 278Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.130 ( -9.056 -15.543 0.000) 17.989 1.179 ( 4.709 -1.174 -0.000) 4.853 1.792 ( -4.279 7.792 0.000) 8.890 2.313 ( -6.078 -12.018 0.000) 13.468 2.493 ( 4.305 -9.398 0.000) 10.337 2.700 ( -1.768 -3.176 0.000) 3.635 3.276 ( -15.306 25.798 0.000) 29.997 3.479 ( 3.866 0.821 -0.000) 3.952 4.183 ( -2.948 -4.027 0.000) 4.991 4.252 ( -5.032 9.547 -0.000) 10.792 5.113 ( 21.676 -16.250 -0.000) 27.091 5.655 ( 7.450 -1.754 -0.000) 7.654 6.015 ( -14.688 -10.245 0.000) 17.908 6.118 ( -6.188 -5.813 0.000) 8.490 9.299 ( 21.713 -6.972 -0.000) 22.805 9.913 ( 13.615 9.215 -0.000) 16.440 10.178 ( -3.269 -11.384 0.000) 11.844 10.644 ( -4.045 1.174 0.000) 4.212======================= Grid point 59 (57/168) =======================q-point: ( 0.16 0.34 -0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.943 ( 11.959 -5.564 0.647) 13.206 1.309 ( 8.456 -3.562 -0.094) 9.176 1.838 ( 9.630 6.525 -1.160) 11.690 2.218 ( -0.521 2.788 5.886) 6.534 2.347 ( 13.363 -13.797 10.164) 21.730 2.789 ( 13.774 0.716 4.161) 14.406 3.540 ( 4.808 -0.352 -3.076) 5.718 3.806 ( 13.524 4.777 2.817) 14.617 4.036 ( 8.391 4.986 -6.937) 11.975 4.507 ( 1.405 25.653 0.909) 25.708 4.566 ( -2.000 1.176 -0.767) 2.444 4.608 ( -3.873 3.076 -5.387) 7.313 4.916 ( -10.994 -3.493 0.812) 11.564 5.542 ( 6.802 11.563 -1.852) 13.542 8.707 ( 14.710 4.350 -1.607) 15.424 9.332 ( 8.789 2.590 -13.158) 16.033 10.492 ( -7.462 0.342 6.924) 10.185 10.908 ( -15.388 -2.337 4.454) 16.189======================= Grid point 60 (58/168) =======================q-point: (-0.13 -0.12 -0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.603 ( -2.693 -11.350 -3.543) 12.191 1.028 ( -9.097 -3.424 -11.129) 14.776 1.796 ( -9.499 -7.325 0.365) 12.001 1.954 ( -1.592 -4.727 2.753) 5.698 2.156 ( -0.635 -5.107 -5.811) 7.762 2.636 ( -3.348 -3.787 -0.751) 5.110 3.447 ( -6.269 2.780 0.541) 6.879 3.607 ( -21.567 -19.720 -2.671) 29.345 4.160 ( -2.617 -5.011 5.786) 8.090 4.454 ( 6.963 15.329 -1.032) 16.868 4.666 ( 2.934 3.692 -0.379) 4.731 5.274 ( 7.335 -16.982 0.398) 18.503 5.556 ( 27.185 -33.387 5.835) 43.448 5.612 ( -7.764 -13.711 2.543) 15.960 8.562 ( -12.146 -5.290 0.721) 13.268 9.508 ( -16.129 0.488 25.135) 29.868 10.467 ( 6.218 3.480 -11.341) 13.394 10.834 ( 3.359 6.746 -11.724) 13.937======================= Grid point 61 (59/168) =======================q-point: ( 0.37 -0.12 -0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.936 ( 7.533 17.808 2.049) 19.444 1.116 ( -4.031 6.482 8.691) 11.567 1.883 ( -3.347 1.594 -0.039) 3.707 2.142 ( 5.370 13.957 -2.986) 15.250 2.260 ( -1.446 5.174 1.982) 5.726 2.705 ( 0.268 4.143 2.426) 4.809 3.405 ( -4.772 -1.540 -0.506) 5.040 3.981 ( -11.349 13.747 1.278) 17.872 4.067 ( 10.052 -18.041 0.177) 20.653 4.268 ( -6.866 2.857 -7.719) 10.718 4.615 ( -1.670 -0.294 5.870) 6.110 5.466 ( -5.193 2.105 -1.868) 5.907 5.926 ( 3.631 20.809 -2.524) 21.274 6.145 ( 29.923 22.513 -3.078) 37.572 8.696 ( -17.008 8.305 -0.606) 18.937 9.480 ( -19.274 -2.548 -18.999) 27.184 10.393 ( 3.685 -3.236 15.361) 16.125 10.748 ( 1.479 -2.655 3.928) 4.966======================= Grid point 62 (60/168) =======================q-point: ( 0.07 0.43 -0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 248Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.169 ( 7.122 -0.000 -2.680) 7.609 1.564 ( 7.486 -0.000 -0.918) 7.542 1.927 ( 6.058 -0.000 0.911) 6.126 2.159 ( -0.558 -0.000 3.622) 3.665 2.666 ( 4.744 -0.000 9.009) 10.182 3.220 ( 21.652 -0.000 5.262) 22.282 3.613 ( 2.116 0.000 -2.143) 3.012 3.968 ( 2.532 0.000 -5.863) 6.387 4.261 ( 3.308 -0.000 1.426) 3.602 4.298 ( 19.997 -0.000 -6.207) 20.938 4.465 ( -2.088 0.000 -1.233) 2.424 4.561 ( 3.165 -0.000 0.362) 3.186 4.795 ( -14.332 0.000 1.520) 14.413 5.430 ( -2.041 0.000 -0.375) 2.075 8.988 ( 17.265 -0.000 -1.911) 17.371 9.421 ( 4.447 0.000 -10.661) 11.551 10.352 ( -5.614 -0.000 4.884) 7.441 10.568 ( -18.747 0.000 5.863) 19.643======================= Grid point 63 (61/168) =======================q-point: (-0.43 0.43 -0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.103 ( -13.589 -4.861 0.000) 14.433 1.224 ( 0.727 1.805 -0.000) 1.946 1.580 ( -2.872 1.576 0.000) 3.276 2.389 ( -8.955 14.566 0.000) 17.099 2.390 ( -5.261 -6.845 0.000) 8.633 2.756 ( -4.687 -9.555 0.000) 10.643 2.921 ( 4.601 -3.675 -0.000) 5.888 3.537 ( 1.898 -0.932 -0.000) 2.114 3.967 ( -4.716 7.541 0.000) 8.894 4.166 ( -2.751 -0.850 0.000) 2.879 5.702 ( 12.366 -5.696 -0.000) 13.615 5.822 ( 8.575 1.753 -0.000) 8.752 5.921 ( -5.065 -0.952 0.000) 5.153 6.006 ( -4.744 4.820 0.000) 6.763 9.673 ( 12.516 3.678 -0.000) 13.045 9.998 ( 13.053 9.445 -0.000) 16.112 10.416 ( -1.889 -14.071 0.000) 14.197 10.511 ( -5.918 1.534 0.000) 6.114======================= Grid point 66 (62/168) =======================q-point: ( 0.47 -0.47 -0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 278Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.004 ( -4.852 -9.019 0.000) 10.241 1.217 ( 2.222 -0.356 -0.000) 2.250 1.601 ( -1.653 -6.796 0.000) 6.995 2.267 ( 7.131 -6.383 -0.000) 9.570 2.371 ( -5.547 -3.001 0.000) 6.307 2.862 ( -7.951 -13.427 0.000) 15.605 2.978 ( -1.354 4.122 -0.000) 4.338 3.596 ( -0.092 -3.309 0.000) 3.310 3.896 ( 3.530 -3.342 -0.000) 4.861 4.117 ( -1.408 1.492 0.000) 2.051 5.666 ( 0.574 14.154 -0.000) 14.165 5.754 ( -1.803 14.146 -0.000) 14.260 5.927 ( 7.966 4.531 -0.000) 9.164 5.952 ( -1.826 0.104 0.000) 1.829 9.762 ( 7.593 6.098 -0.000) 9.738 10.084 ( 14.512 9.994 -0.000) 17.621 10.370 ( -5.335 0.614 0.000) 5.370 10.462 ( -10.890 -1.497 0.000) 10.992======================= Grid point 68 (63/168) =======================q-point: (-0.32 0.08 -0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.028 ( 0.000 -4.430 -7.919) 9.074 1.627 ( -0.000 -7.299 -0.626) 7.326 1.908 ( -0.000 -9.406 -0.412) 9.415 2.270 ( -0.000 -2.960 4.547) 5.425 2.621 ( -0.000 -5.854 -4.280) 7.252 3.054 ( -0.000 -7.980 -1.559) 8.131 3.517 ( -0.000 -14.392 1.829) 14.508 3.648 ( -0.000 -21.967 -0.538) 21.973 4.076 ( 0.000 12.419 1.269) 12.484 4.185 ( 0.000 16.124 -0.022) 16.124 4.424 ( 0.000 1.161 0.018) 1.161 5.116 ( 0.000 7.485 1.562) 7.646 6.703 ( -0.000 -25.900 -0.002) 25.900 7.725 ( -0.000 8.410 15.872) 17.963 8.229 ( -0.000 -0.537 -0.356) 0.644 8.319 ( -0.000 0.249 0.269) 0.367 10.424 ( 0.000 -1.262 -12.592) 12.655 10.779 ( -0.000 -0.769 0.819) 1.123======================= Grid point 69 (64/168) =======================q-point: ( 0.18 0.08 -0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.641 ( -0.000 12.701 16.472) 20.800 0.677 ( 0.000 22.495 8.985) 24.223 0.814 ( 0.000 19.829 14.024) 24.287 1.856 ( 0.000 11.962 -4.611) 12.820 2.045 ( 0.000 11.723 -1.291) 11.794 2.235 ( -0.000 -6.842 10.490) 12.525 2.899 ( -0.000 1.259 2.700) 2.979 3.338 ( 0.000 -0.308 -0.864) 0.918 4.050 ( 0.000 4.273 -1.964) 4.703 4.725 ( 0.000 10.071 -1.853) 10.240 4.763 ( -0.000 -3.824 -0.466) 3.853 4.971 ( 0.000 5.339 -5.625) 7.755 5.386 ( 0.000 -0.008 -0.842) 0.842 6.228 ( 0.000 97.270 -92.002) 133.888 8.200 ( -0.000 0.271 0.716) 0.765 8.328 ( 0.000 -0.071 -0.457) 0.462 10.690 ( -0.000 -1.183 4.583) 4.734 11.406 ( -0.000 -39.558 32.190) 51.001======================= Grid point 70 (65/168) =======================q-point: (-0.12 -0.38 -0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 442Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.252 ( -4.242 1.449 0.693) 4.535 1.409 ( -1.953 8.829 -0.000) 9.042 1.972 ( 0.799 8.740 -0.177) 8.778 2.316 ( 0.036 -10.791 -1.461) 10.890 2.497 ( -3.721 8.163 -2.576) 9.334 3.255 ( -16.419 19.467 -0.766) 25.478 3.558 ( 5.148 10.185 4.820) 12.389 3.706 ( 9.751 13.317 -2.756) 16.734 3.997 ( 0.549 0.357 -0.522) 0.838 4.298 ( 1.041 6.207 2.411) 6.740 4.846 ( 0.008 -22.470 -0.570) 22.477 4.957 ( 1.266 -23.507 0.337) 23.544 5.429 ( -12.973 -16.080 -1.122) 20.692 5.754 ( 6.631 -12.543 0.867) 14.214 9.489 ( -3.563 -10.266 1.577) 10.981 9.765 ( -17.206 -8.777 5.932) 20.206 10.254 ( 11.241 -1.864 -5.066) 12.470 10.309 ( 7.562 -2.509 -1.940) 8.200======================= Grid point 71 (66/168) =======================q-point: ( 0.38 -0.38 -0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.157 ( -5.957 -12.553 0.000) 13.895 1.278 ( 0.813 -0.868 -0.000) 1.190 1.777 ( 2.630 -9.723 0.000) 10.072 2.311 ( -6.319 -3.662 0.000) 7.304 2.472 ( -2.700 7.630 -0.000) 8.093 2.932 ( -10.710 -12.608 0.000) 16.543 3.138 ( 14.681 -21.733 -0.000) 26.226 3.657 ( -2.306 -5.078 0.000) 5.577 4.053 ( -0.282 3.320 -0.000) 3.332 4.145 ( 7.777 -7.263 -0.000) 10.641 5.305 ( -1.202 22.182 -0.000) 22.214 5.392 ( 0.686 20.848 -0.000) 20.859 5.706 ( -11.305 10.843 0.000) 15.665 5.964 ( 6.438 7.069 -0.000) 9.561 9.763 ( 6.148 10.216 -0.000) 11.923 10.063 ( -20.989 4.370 0.000) 21.439 10.152 ( 6.112 6.297 -0.000) 8.775 10.323 ( 5.732 2.765 -0.000) 6.364======================= Grid point 72 (67/168) =======================q-point: ( 0.08 0.17 -0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 242Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.494 ( 10.806 -0.000 10.905) 15.353 0.650 ( 23.088 -0.000 5.253) 23.678 0.952 ( 20.430 -0.000 19.955) 28.558 1.806 ( 12.489 -0.000 0.384) 12.495 2.036 ( 7.230 -0.000 0.252) 7.234 2.269 ( -11.033 -0.000 10.031) 14.912 2.951 ( 6.245 -0.000 2.326) 6.664 3.544 ( 7.405 0.000 -7.169) 10.307 3.981 ( 0.158 0.000 -0.462) 0.489 4.091 ( 1.128 -0.000 -0.102) 1.132 4.576 ( -0.545 0.000 -1.199) 1.317 4.833 ( -0.448 0.000 0.244) 0.510 5.058 ( 5.604 0.000 -6.292) 8.426 5.354 ( -3.976 0.000 0.561) 4.015 8.358 ( 3.194 -0.000 -0.580) 3.246 8.962 ( 41.335 0.000 -38.869) 56.739 10.651 ( -4.726 -0.000 4.276) 6.373 11.580 ( -28.271 0.000 17.769) 33.391======================= Grid point 73 (68/168) =======================q-point: (-0.42 0.17 -0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.112 ( 1.983 -1.743 -4.796) 5.474 1.696 ( -1.004 -1.572 -0.044) 1.866 1.934 ( -7.967 -0.609 -0.399) 8.000 2.337 ( 1.716 -2.930 8.560) 9.209 2.701 ( -0.747 -2.801 -5.663) 6.362 3.140 ( -0.318 -3.598 -0.007) 3.612 3.421 ( -16.805 16.869 -0.546) 23.818 3.645 ( -12.231 -13.076 -1.759) 17.991 3.997 ( 6.136 11.854 1.850) 13.475 4.308 ( 6.805 -6.205 0.245) 9.213 4.565 ( 16.784 -7.409 1.836) 18.438 5.041 ( 7.458 7.654 -1.732) 10.826 6.787 ( -18.894 -1.089 3.250) 19.202 7.056 ( -27.545 7.441 -1.833) 28.591 8.545 ( 19.168 -1.495 -0.069) 19.226 8.650 ( 28.917 8.188 0.895) 30.068 10.517 ( -0.528 -8.861 -4.066) 9.764 10.781 ( -2.656 -1.831 2.733) 4.228======================= Grid point 74 (69/168) =======================q-point: ( 0.28 -0.28 -0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 278Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.196 ( -14.177 -13.396 0.000) 19.506 1.253 ( -4.743 0.129 0.000) 4.745 1.977 ( -0.140 -4.592 0.000) 4.594 2.161 ( -4.962 10.354 -0.000) 11.482 2.265 ( -6.943 -5.204 0.000) 8.676 2.904 ( -13.131 -8.418 0.000) 15.597 3.684 ( -4.433 -4.321 0.000) 6.191 3.971 ( -1.407 3.975 -0.000) 4.217 3.995 ( 15.720 -26.613 -0.000) 30.909 4.425 ( 7.018 -5.470 -0.000) 8.898 4.756 ( -9.883 21.786 -0.000) 23.923 5.019 ( 4.497 21.015 -0.000) 21.490 5.137 ( -9.875 22.923 -0.000) 24.960 5.881 ( 1.526 10.529 -0.000) 10.639 9.296 ( -20.077 12.963 0.000) 23.898 9.899 ( 2.623 0.074 -0.000) 2.624 10.141 ( 1.475 0.364 -0.000) 1.519 10.445 ( 11.982 4.739 -0.000) 12.885======================= Grid point 75 (70/168) =======================q-point: (-0.22 -0.28 -0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.018 ( -7.375 1.674 -2.677) 8.022 1.303 ( -0.029 1.088 1.508) 1.860 1.851 ( 3.629 8.454 -0.045) 9.200 2.183 ( -8.485 4.480 -1.553) 9.720 2.458 ( -2.376 -3.531 -1.980) 4.694 2.823 ( -3.493 1.508 -2.517) 4.562 3.425 ( 7.917 16.793 2.073) 18.681 3.630 ( 5.103 8.904 -2.357) 10.530 4.016 ( -0.528 -0.098 1.612) 1.699 4.239 ( 4.149 3.791 4.134) 6.977 5.209 ( -9.481 -18.010 -2.765) 20.540 5.438 ( 0.459 -20.061 0.398) 20.070 5.544 ( -0.809 -18.516 -0.299) 18.536 5.976 ( -1.547 -4.563 2.065) 5.242 9.507 ( -22.396 -14.001 2.595) 26.540 9.626 ( -5.149 -5.836 7.410) 10.746 10.371 ( 5.341 -0.373 -5.353) 7.571 10.627 ( 10.203 0.228 -3.677) 10.847======================= Grid point 76 (71/168) =======================q-point: ( 0.48 0.27 -0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.158 ( 1.168 1.439 -2.039) 2.755 1.497 ( -7.218 12.561 1.589) 14.574 1.844 ( -3.932 -5.586 -0.401) 6.842 2.423 ( -3.588 5.927 3.363) 7.701 2.477 ( -6.244 10.817 4.815) 13.386 2.872 ( -1.774 3.479 -2.651) 4.720 3.280 ( 0.793 -5.717 -2.381) 6.244 3.742 ( -8.671 -14.506 2.172) 17.039 3.905 ( 1.455 3.662 -4.069) 5.664 4.324 ( -0.887 3.136 0.115) 3.261 4.956 ( 15.786 10.704 4.928) 19.700 5.266 ( 16.378 -5.990 -4.423) 17.991 6.222 ( -16.366 14.857 1.684) 22.167 6.399 ( -19.993 13.832 -3.142) 24.514 8.885 ( 21.249 11.136 1.331) 24.027 9.044 ( 21.737 3.868 -5.445) 22.741 10.714 ( -0.573 -9.735 0.179) 9.753 10.734 ( -6.108 -3.203 4.534) 8.254======================= Grid point 78 (72/168) =======================q-point: (-0.31 -0.19 -0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 442Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.126 ( 4.586 -9.066 -1.787) 10.316 1.344 ( 2.925 -5.072 -1.723) 6.103 1.773 ( 4.627 8.769 0.878) 9.954 2.278 ( 7.118 -16.037 1.200) 17.587 2.395 ( -4.200 0.359 -1.640) 4.523 2.854 ( 0.486 -3.340 -2.693) 4.318 3.243 ( 9.856 19.576 0.918) 21.936 3.571 ( 0.848 3.627 -2.904) 4.723 3.984 ( 1.258 2.681 4.870) 5.700 4.311 ( 4.319 -0.930 1.436) 4.646 5.195 ( -17.892 -12.655 -4.359) 22.345 5.625 ( -10.820 -1.384 1.912) 11.075 5.956 ( 9.564 -9.342 0.964) 13.404 6.112 ( 11.039 -9.783 1.179) 14.798 9.287 ( -20.243 -8.152 0.114) 21.823 9.575 ( -15.389 -6.607 8.333) 18.705 10.492 ( 5.345 -0.212 -7.023) 8.828 10.669 ( 2.849 6.257 -1.151) 6.970======================= Grid point 79 (73/168) =======================q-point: ( 0.19 -0.19 -0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.053 ( -12.832 1.962 0.000) 12.981 1.154 ( -18.792 -17.186 0.000) 25.466 1.852 ( -11.097 7.348 0.000) 13.309 1.961 ( 0.017 4.667 -0.000) 4.667 2.236 ( -9.313 -8.677 0.000) 12.728 2.693 ( -13.852 3.250 0.000) 14.228 3.633 ( -7.408 1.584 0.000) 7.575 3.754 ( -16.277 -0.674 0.000) 16.291 4.186 ( -9.334 9.428 0.000) 13.267 4.529 ( 2.824 30.456 -0.000) 30.586 4.546 ( 2.863 -3.774 -0.000) 4.737 4.680 ( 5.715 -3.871 -0.000) 6.902 4.889 ( 11.461 -0.892 -0.000) 11.496 5.609 ( -5.327 12.239 -0.000) 13.348 8.743 ( -15.644 4.824 0.000) 16.371 9.974 ( 4.156 0.210 -0.000) 4.161 10.235 ( 5.172 -3.094 -0.000) 6.027 10.608 ( 9.967 1.055 -0.000) 10.022======================= Grid point 80 (74/168) =======================q-point: (-0.11 0.36 -0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.823 ( 15.392 5.189 -1.407) 16.304 1.204 ( 7.791 -0.004 6.484) 10.137 1.934 ( 4.285 -1.258 -0.213) 4.471 2.060 ( 7.973 2.229 0.170) 8.280 2.189 ( 2.794 -5.295 4.994) 7.797 2.724 ( 6.338 0.972 1.241) 6.531 3.559 ( 4.941 3.366 -2.197) 6.370 3.911 ( 6.348 -9.385 1.296) 11.404 4.244 ( -5.736 15.264 -3.448) 16.667 4.368 ( 7.688 -2.408 -2.395) 8.404 4.620 ( 0.720 -1.847 4.038) 4.498 5.116 ( -7.286 -23.011 -1.291) 24.172 5.166 ( -10.043 -27.121 -0.038) 28.921 5.802 ( 6.980 -9.624 -2.302) 12.110 8.873 ( 18.499 -9.512 -1.182) 20.835 9.697 ( 4.313 -1.589 -16.914) 17.527 10.344 ( -5.644 1.563 8.790) 10.562 10.721 ( -8.219 1.173 7.013) 10.868======================= Grid point 81 (75/168) =======================q-point: ( 0.39 0.36 -0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.031 ( -0.172 6.450 5.163) 8.264 1.245 ( -0.493 2.969 -3.510) 4.624 1.902 ( -0.807 -4.449 0.007) 4.522 2.065 ( 4.018 3.157 -0.027) 5.110 2.523 ( -1.272 -2.820 5.985) 6.737 2.828 ( 2.410 3.920 2.252) 5.123 3.408 ( 1.587 -4.532 -1.899) 5.164 3.808 ( -2.278 -6.171 -2.056) 6.892 3.979 ( -3.995 -11.181 -1.705) 11.995 4.220 ( -3.556 1.628 -2.095) 4.437 5.012 ( 16.749 16.236 3.747) 23.626 5.444 ( -2.158 13.924 -1.336) 14.153 5.661 ( -9.032 22.349 0.664) 24.114 5.849 ( 3.478 8.685 -2.869) 9.785 9.036 ( 20.011 14.176 -1.023) 24.545 9.306 ( 12.511 4.823 -5.495) 14.490 10.619 ( -8.128 -1.178 4.804) 9.514 10.832 ( -4.867 -4.814 1.236) 6.956======================= Grid point 82 (76/168) =======================q-point: ( 0.09 -0.09 -0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.715 ( -16.921 0.000 0.000) 16.921 1.066 ( -19.647 0.000 0.000) 19.647 1.269 ( -25.767 0.000 0.000) 25.767 1.944 ( 1.684 -0.000 -0.000) 1.684 2.146 ( -21.530 0.000 0.000) 21.530 2.296 ( -5.449 0.000 0.000) 5.449 3.193 ( -19.234 0.000 0.000) 19.234 3.709 ( -3.521 0.000 0.000) 3.521 3.996 ( -0.883 0.000 0.000) 0.883 4.126 ( -2.113 0.000 0.000) 2.113 4.570 ( 1.214 -0.000 -0.000) 1.214 4.767 ( 3.200 -0.000 -0.000) 3.200 5.227 ( 7.984 -0.000 -0.000) 7.984 5.280 ( -9.116 0.000 0.000) 9.116 8.471 ( -7.936 0.000 0.000) 7.936 10.041 ( 2.603 -0.000 -0.000) 2.603 10.423 ( 8.277 -0.000 -0.000) 8.277 10.793 ( 6.688 -0.000 -0.000) 6.688======================= Grid point 83 (77/168) =======================q-point: ( 0.59 -0.09 -0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.204 ( -1.296 -0.000 -0.000) 1.296 1.669 ( 1.725 -0.000 -0.000) 1.725 1.724 ( 12.718 0.000 0.000) 12.718 2.299 ( -3.841 -0.000 -0.000) 3.841 2.715 ( 3.904 -0.000 0.000) 3.904 3.075 ( 5.514 -0.000 -0.000) 5.514 3.101 ( 15.600 0.000 0.000) 15.600 3.533 ( 1.554 0.000 -0.000) 1.554 3.985 ( 1.149 -0.000 -0.000) 1.149 4.387 ( 0.080 -0.000 0.000) 0.080 4.965 ( -20.418 -0.000 -0.000) 20.418 5.279 ( -15.053 -0.000 -0.000) 15.053 6.347 ( 18.393 -0.000 0.000) 18.393 6.574 ( 21.916 -0.000 -0.000) 21.916 8.967 ( -20.973 -0.000 -0.000) 20.973 9.202 ( -26.067 -0.000 -0.000) 26.067 10.551 ( 1.946 -0.000 -0.000) 1.946 10.670 ( 3.856 -0.000 -0.000) 3.856======================= Grid point 85 (78/168) =======================q-point: ( 0.29 0.46 -0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.116 ( 7.818 -1.231 1.792) 8.114 1.320 ( 5.416 -5.980 -1.788) 8.264 1.981 ( 1.077 -3.435 -0.042) 3.600 2.349 ( 5.659 -1.424 1.047) 5.929 2.504 ( 0.035 -5.244 6.846) 8.624 2.945 ( 10.896 -9.849 -1.860) 14.805 3.527 ( 1.174 -4.881 -0.038) 5.020 3.907 ( -1.108 -2.862 0.356) 3.089 4.055 ( -0.622 -3.667 -1.570) 4.037 4.217 ( -6.751 -12.845 -4.392) 15.162 4.880 ( 1.419 21.692 2.393) 21.870 4.983 ( -3.728 21.950 -1.876) 22.343 5.174 ( 13.046 20.765 1.968) 24.602 5.805 ( 0.702 9.372 -1.035) 9.455 9.185 ( 20.253 11.901 -1.962) 23.573 9.388 ( 7.127 5.778 -4.999) 10.448 10.464 ( -7.941 -0.090 4.113) 8.944 10.677 ( -13.180 1.572 1.905) 13.410======================= Grid point 86 (79/168) =======================q-point: (-0.21 0.46 -0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.989 ( 8.540 3.757 0.052) 9.330 1.292 ( 1.810 0.815 2.329) 3.060 1.852 ( -3.884 7.881 -0.141) 8.787 2.171 ( 6.743 2.017 -0.524) 7.057 2.412 ( 4.524 -8.353 2.384) 9.794 2.781 ( 5.028 4.303 1.462) 6.778 3.457 ( -13.350 23.654 -0.993) 27.179 3.603 ( -0.199 5.430 0.474) 5.454 4.044 ( -0.386 -3.180 -1.194) 3.418 4.291 ( -6.077 6.663 -0.981) 9.071 5.174 ( 13.176 -18.833 0.769) 22.997 5.434 ( -1.893 -19.624 0.558) 19.723 5.546 ( 0.422 -18.566 -0.343) 18.574 6.014 ( 0.347 -4.702 -1.488) 4.944 9.553 ( 23.113 -13.523 -1.757) 26.836 9.796 ( 0.392 -4.253 -8.692) 9.685 10.246 ( -2.230 -0.012 6.768) 7.126 10.555 ( -9.749 -1.664 2.918) 10.311======================= Grid point 89 (80/168) =======================q-point: (-0.30 0.55 -0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.975 ( 0.543 6.820 1.996) 7.126 1.265 ( -1.590 1.132 0.556) 2.030 1.608 ( -2.319 6.907 -0.077) 7.286 2.260 ( 4.715 0.876 -0.203) 4.800 2.438 ( -8.109 9.845 -1.045) 12.798 2.761 ( 2.431 8.046 1.698) 8.575 2.922 ( 0.289 -0.967 -0.778) 1.274 3.592 ( 1.004 0.497 0.667) 1.304 4.003 ( -3.773 7.457 -0.068) 8.358 4.102 ( -1.578 -1.699 -0.135) 2.323 5.647 ( 1.987 -14.273 -1.589) 14.498 5.750 ( -0.640 -13.453 1.082) 13.512 5.846 ( 5.050 -4.087 -0.673) 6.531 6.047 ( -1.431 -1.340 0.388) 1.998 9.859 ( -0.162 -2.515 -1.549) 2.959 10.182 ( 13.489 -7.323 -1.808) 15.455 10.262 ( 1.297 -3.331 2.394) 4.302 10.385 ( -9.559 -1.556 0.847) 9.722======================= Grid point 90 (81/168) =======================q-point: ( 0.20 0.55 -0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.242 ( 4.434 0.119 -1.057) 4.559 1.582 ( 3.542 -6.988 0.553) 7.854 2.085 ( 3.419 -1.614 0.015) 3.781 2.197 ( -5.234 5.139 4.136) 8.421 2.635 ( -4.033 -6.027 -4.428) 8.496 3.604 ( 4.357 -4.565 1.359) 6.455 3.656 ( 10.776 -10.222 4.817) 15.615 3.845 ( 2.488 -3.671 -2.655) 5.169 4.215 ( 0.047 -9.631 -2.050) 9.847 4.332 ( -5.756 -10.163 -2.861) 12.025 4.498 ( -1.258 12.969 1.069) 13.073 4.547 ( -1.191 14.566 -1.073) 14.654 5.144 ( 15.803 17.126 3.364) 23.545 5.466 ( -9.839 13.768 -0.966) 16.950 9.314 ( 6.750 5.828 0.520) 8.933 9.488 ( 17.448 5.982 -5.888) 19.362 10.301 ( -17.705 2.165 2.611) 18.027 10.322 ( -5.616 0.288 2.248) 6.056======================= Grid point 91 (82/168) =======================q-point: (-0.10 0.10 -0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.542 ( -0.000 -12.728 0.000) 12.728 1.056 ( -0.000 -21.340 0.000) 21.340 1.280 ( -0.000 -24.622 0.000) 24.622 2.084 ( -0.000 -5.022 0.000) 5.022 2.238 ( -0.000 -13.866 0.000) 13.866 2.363 ( -0.000 -19.110 0.000) 19.110 2.933 ( -0.000 -6.308 0.000) 6.308 3.345 ( -0.000 -0.209 0.000) 0.209 4.191 ( -0.000 -6.913 0.000) 6.913 4.655 ( 0.000 7.822 -0.000) 7.822 4.716 ( 0.000 10.746 -0.000) 10.746 5.315 ( -0.000 -11.125 0.000) 11.125 5.443 ( -0.000 -17.596 0.000) 17.596 8.201 ( -0.000 -0.520 0.000) 0.520 8.331 ( 0.000 0.150 -0.000) 0.150 8.446 ( 0.000 8.861 -0.000) 8.861 10.115 ( -0.000 -1.565 0.000) 1.565 10.713 ( -0.000 -2.162 0.000) 2.162======================= Grid point 92 (83/168) =======================q-point: ( 0.40 0.10 -0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.103 ( -0.000 2.503 4.104) 4.806 1.466 ( 0.000 11.630 2.249) 11.845 1.672 ( 0.000 15.797 0.380) 15.802 2.284 ( -0.000 0.464 9.660) 9.671 2.465 ( 0.000 11.775 -0.641) 11.793 2.806 ( 0.000 21.853 2.237) 21.967 3.303 ( 0.000 14.466 0.956) 14.498 3.305 ( 0.000 1.827 -2.832) 3.370 4.099 ( 0.000 0.574 -2.513) 2.577 4.452 ( -0.000 -11.658 -0.358) 11.664 4.567 ( -0.000 -4.684 1.079) 4.807 5.151 ( 0.000 -5.710 -5.986) 8.272 6.091 ( 0.000 35.231 0.226) 35.232 7.075 ( 0.000 25.558 -27.143) 37.282 8.232 ( -0.000 0.332 0.809) 0.875 8.313 ( 0.000 -0.044 -0.592) 0.594 10.768 ( -0.000 -1.130 6.909) 7.001 10.914 ( -0.000 -14.136 9.535) 17.051======================= Grid point 93 (84/168) =======================q-point: ( 0.10 -0.35 -0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 242Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.293 ( 0.008 -0.000 0.510) 0.510 1.673 ( -1.936 0.000 0.229) 1.949 2.004 ( -4.770 0.000 2.838) 5.551 2.168 ( -0.780 0.000 0.034) 0.781 2.587 ( -6.393 0.000 -9.220) 11.219 3.480 ( -12.330 0.000 -1.897) 12.475 3.712 ( -0.411 -0.000 4.824) 4.841 4.192 ( -4.365 -0.000 5.157) 6.756 4.305 ( -2.703 0.000 -0.474) 2.745 4.383 ( 6.490 -0.000 -2.960) 7.133 4.430 ( 6.353 -0.000 -2.553) 6.847 4.495 ( 8.279 -0.000 -0.096) 8.280 4.878 ( -20.538 0.000 2.897) 20.741 5.297 ( 10.662 -0.000 -0.344) 10.668 9.273 ( -5.472 0.000 0.779) 5.527 9.703 ( 2.604 -0.000 6.313) 6.829 10.073 ( 5.435 0.000 -6.597) 8.548 10.253 ( -0.571 0.000 -0.209) 0.608======================= Grid point 94 (85/168) =======================q-point: ( 0.60 -0.35 -0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.918 ( 5.317 1.256 1.970) 5.808 1.244 ( 0.621 -1.043 1.363) 1.825 1.534 ( 1.213 -0.227 -0.147) 1.243 2.255 ( 3.603 -3.724 -0.199) 5.186 2.304 ( 2.771 2.274 0.187) 3.590 2.687 ( -0.023 2.015 -1.054) 2.274 2.977 ( -1.266 1.362 -1.733) 2.542 3.598 ( -0.778 0.516 2.607) 2.769 3.894 ( 1.524 -2.457 0.213) 2.899 4.123 ( 1.569 0.282 -0.437) 1.653 5.826 ( -4.785 -1.483 -2.543) 5.618 5.851 ( 0.792 2.344 -0.661) 2.561 5.910 ( 2.411 0.864 0.462) 2.603 6.028 ( -3.368 -1.746 2.042) 4.308 9.858 ( -5.146 -2.273 0.281) 5.632 10.218 ( -8.761 -2.439 0.197) 9.096 10.377 ( 1.692 5.562 -0.202) 5.818 10.382 ( 6.334 -1.045 -0.270) 6.426======================= Grid point 95 (86/168) =======================q-point: ( 0.30 0.20 -0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 442Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.920 ( -14.471 17.206 7.524) 23.708 1.102 ( 3.375 3.955 6.283) 8.155 1.559 ( 12.835 13.038 -0.054) 18.295 1.955 ( -6.600 13.298 -1.520) 14.923 2.339 ( -0.555 1.605 12.599) 12.713 2.558 ( 7.385 9.471 1.328) 12.084 3.247 ( 17.272 15.314 3.843) 23.401 3.337 ( 3.212 -1.177 -1.581) 3.768 4.050 ( -1.337 2.414 -4.118) 4.957 4.569 ( -4.026 -9.338 -1.749) 10.318 4.668 ( -0.008 -1.406 -2.843) 3.171 5.297 ( 8.176 3.339 -4.543) 9.931 5.407 ( -4.432 23.966 -0.028) 24.373 5.958 ( -28.666 45.242 -20.685) 57.414 8.361 ( 6.138 1.405 -1.287) 6.427 8.608 ( 27.341 2.417 -9.218) 28.954 10.751 ( -3.885 -0.945 7.355) 8.371 11.180 ( -5.989 -16.541 8.251) 19.430======================= Grid point 96 (87/168) =======================q-point: (-0.20 0.20 -0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.830 ( 5.985 -8.486 -0.000) 10.384 1.204 ( -14.409 -20.878 0.000) 25.368 1.778 ( 6.793 -8.353 -0.000) 10.767 2.209 ( 0.684 -7.466 0.000) 7.498 2.354 ( -9.094 -14.253 0.000) 16.907 2.701 ( -2.360 -8.389 0.000) 8.714 3.302 ( 5.758 -3.490 -0.000) 6.733 3.570 ( 19.611 -20.162 -0.000) 28.127 4.285 ( -9.992 18.451 -0.000) 20.983 4.324 ( 0.437 -6.223 0.000) 6.239 4.531 ( 1.091 10.280 -0.000) 10.338 5.356 ( 6.763 4.694 -0.000) 8.232 6.026 ( -4.297 -31.986 0.000) 32.274 7.079 ( -53.394 -10.824 0.000) 54.480 8.428 ( 9.690 -2.639 -0.000) 10.043 9.212 ( 39.823 16.454 -0.000) 43.088 10.149 ( -1.298 -3.667 0.000) 3.891 10.738 ( -1.230 -1.531 0.000) 1.964======================= Grid point 97 (88/168) =======================q-point: ( 0.51 -0.26 -0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.003 ( 3.425 4.429 1.191) 5.725 1.280 ( -0.261 -0.564 2.262) 2.346 1.687 ( 5.012 -8.313 -0.448) 9.718 2.219 ( 1.095 7.122 -1.064) 7.284 2.503 ( -2.076 0.571 -3.230) 3.882 2.757 ( 0.897 -1.250 4.369) 4.633 3.007 ( 9.914 -16.873 0.484) 19.576 3.559 ( -2.229 -0.600 1.224) 2.613 4.053 ( 1.806 -3.746 -4.031) 5.792 4.189 ( 6.014 -2.070 1.899) 6.638 5.490 ( -14.087 13.162 -0.345) 19.282 5.743 ( -1.762 11.268 0.988) 11.448 5.826 ( 4.400 9.529 -0.134) 10.497 6.052 ( -0.010 -0.558 -1.220) 1.341 9.693 ( -16.687 1.163 -1.679) 16.812 9.966 ( -7.834 10.045 -6.681) 14.384 10.264 ( 1.871 3.167 6.931) 7.847 10.552 ( 6.421 -1.935 1.059) 6.789======================= Grid point 99 (89/168) =======================q-point: (-0.29 0.29 -0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 278Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.070 ( 5.672 -3.537 -0.000) 6.685 1.339 ( -11.021 -18.414 0.000) 21.460 1.858 ( -2.355 3.968 0.000) 4.614 2.413 ( 3.311 -9.049 0.000) 9.636 2.442 ( -5.753 -9.595 0.000) 11.187 2.779 ( -6.422 -10.827 0.000) 12.589 3.400 ( 3.533 -0.844 -0.000) 3.632 3.586 ( -15.132 25.599 0.000) 29.737 4.220 ( 0.999 -7.941 0.000) 8.003 4.324 ( -1.705 10.562 -0.000) 10.699 4.665 ( 20.750 -15.998 -0.000) 26.201 5.447 ( 11.987 5.765 -0.000) 13.301 6.313 ( -12.332 -14.119 0.000) 18.746 6.451 ( -28.990 -7.290 0.000) 29.892 8.863 ( 20.879 -7.470 -0.000) 22.175 9.534 ( 24.487 14.556 -0.000) 28.487 10.233 ( -2.049 -9.305 0.000) 9.528 10.715 ( -3.102 -0.371 0.000) 3.124======================= Grid point 100 (90/168) =======================q-point: ( 0.21 0.29 -0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.708 ( 9.580 -6.698 7.122) 13.688 1.146 ( 7.458 2.290 2.590) 8.220 1.607 ( 13.148 9.318 -0.478) 16.122 2.001 ( 14.854 -9.410 1.428) 17.641 2.273 ( -0.636 2.842 11.863) 12.215 2.583 ( 8.078 6.273 6.627) 12.187 3.331 ( 17.832 11.127 0.884) 21.037 3.502 ( 8.657 -2.916 -0.126) 9.136 3.986 ( -0.063 2.240 -4.025) 4.607 4.539 ( -4.322 23.432 -2.420) 23.950 4.603 ( -1.844 3.030 -1.757) 3.959 4.723 ( -7.276 15.283 -8.562) 18.969 5.071 ( -2.439 0.052 -0.322) 2.461 5.381 ( 6.393 7.433 -2.052) 10.016 8.471 ( 8.781 2.146 -1.092) 9.105 9.052 ( 19.570 2.310 -15.002) 24.767 10.645 ( -7.310 -0.128 7.736) 10.644 11.214 ( -15.172 -7.813 3.645) 17.451======================= Grid point 102 (91/168) =======================q-point: ( 0.41 -0.16 -0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.867 ( -2.040 9.427 1.020) 9.699 1.222 ( -4.919 1.424 5.346) 7.403 1.907 ( 1.014 -3.928 -0.211) 4.062 2.088 ( -0.799 6.321 -2.392) 6.806 2.321 ( -4.080 6.562 2.735) 8.196 2.717 ( -1.644 0.942 2.306) 2.984 3.496 ( -3.822 -3.224 -1.710) 5.285 3.804 ( 13.815 -24.284 1.310) 27.969 4.058 ( 0.554 5.178 -1.421) 5.398 4.381 ( 1.370 -3.691 -3.701) 5.403 4.817 ( -18.516 15.809 4.186) 24.704 5.484 ( 2.408 15.050 -0.415) 15.247 5.685 ( 13.449 22.028 -0.985) 25.828 5.965 ( -3.251 7.654 -2.080) 8.572 9.092 ( -21.784 12.091 -1.086) 24.938 9.732 ( -6.831 2.047 -14.545) 16.200 10.312 ( 4.006 -1.319 11.055) 11.832 10.695 ( 4.335 -1.757 3.537) 5.864======================= Grid point 103 (92/168) =======================q-point: ( 0.11 0.39 -0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 248Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.003 ( 8.762 -0.000 -0.657) 8.786 1.370 ( 11.686 -0.000 -0.771) 11.711 1.747 ( 11.259 -0.000 -0.802) 11.287 2.187 ( -1.753 -0.000 7.449) 7.652 2.560 ( 5.612 -0.000 11.854) 13.116 2.728 ( 25.977 -0.000 4.179) 26.311 3.526 ( 8.445 -0.000 -2.313) 8.756 3.821 ( 21.529 -0.000 -1.294) 21.568 3.947 ( 0.098 0.000 -3.604) 3.605 4.195 ( 3.140 -0.000 1.347) 3.417 4.502 ( -1.542 0.000 -1.653) 2.260 4.593 ( -3.410 0.000 -7.405) 8.153 5.056 ( -11.404 0.000 1.102) 11.457 5.374 ( 7.286 -0.000 -1.298) 7.401 8.666 ( 13.599 -0.000 -1.437) 13.674 9.305 ( 8.574 0.000 -13.556) 16.040 10.488 ( -7.622 -0.000 6.870) 10.261 10.933 ( -17.669 0.000 4.209) 18.163======================= Grid point 104 (93/168) =======================q-point: (-0.39 0.39 -0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.189 ( 2.769 0.267 -0.000) 2.782 1.398 ( -14.881 -8.666 0.000) 17.221 1.641 ( -3.037 4.484 0.000) 5.416 2.483 ( -3.552 -4.125 0.000) 5.443 2.559 ( -5.108 8.640 0.000) 10.037 2.880 ( -3.322 8.290 -0.000) 8.931 2.896 ( -8.820 -16.735 0.000) 18.917 3.492 ( 2.237 -2.643 -0.000) 3.463 4.058 ( -3.831 9.965 -0.000) 10.676 4.235 ( -3.937 -1.349 0.000) 4.162 5.384 ( 18.650 -11.095 -0.000) 21.701 5.585 ( 14.218 8.056 -0.000) 16.342 6.100 ( -13.287 1.278 0.000) 13.348 6.170 ( -11.463 1.517 0.000) 11.563 9.364 ( 17.816 -0.182 -0.000) 17.817 9.678 ( 18.900 14.840 -0.000) 24.030 10.447 ( -1.149 -14.700 0.000) 14.745 10.627 ( -5.536 0.285 0.000) 5.543======================= Grid point 107 (94/168) =======================q-point: ( 0.52 0.48 -0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 278Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.145 ( -8.791 -0.567 0.000) 8.809 1.182 ( 1.120 2.189 -0.000) 2.459 1.663 ( -4.054 -8.835 0.000) 9.721 2.187 ( 0.564 4.471 -0.000) 4.506 2.467 ( -3.872 -2.187 0.000) 4.447 2.961 ( 2.936 0.867 -0.000) 3.062 3.052 ( -10.017 -17.958 0.000) 20.563 3.595 ( -0.123 -5.736 0.000) 5.737 3.864 ( -0.191 2.467 -0.000) 2.475 4.162 ( -3.056 1.281 0.000) 3.314 5.655 ( 1.420 10.595 -0.000) 10.690 5.677 ( 12.763 12.187 -0.000) 17.647 5.859 ( -5.114 10.946 -0.000) 12.082 5.936 ( 1.939 -0.912 -0.000) 2.143 9.581 ( 10.449 5.515 -0.000) 11.815 9.750 ( 18.313 15.262 -0.000) 23.839 10.494 ( -6.730 0.207 0.000) 6.734 10.629 ( -5.681 -7.416 0.000) 9.342======================= Grid point 113 (95/168) =======================q-point: ( 0.42 -0.42 -0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.210 ( 0.432 -11.316 0.000) 11.324 1.230 ( 3.561 -0.692 -0.000) 3.628 1.779 ( -2.741 -10.550 0.000) 10.900 2.423 ( -4.771 -2.578 0.000) 5.423 2.427 ( 7.812 -5.418 -0.000) 9.507 2.937 ( 4.492 -4.619 -0.000) 6.443 3.173 ( -11.937 -16.841 0.000) 20.642 3.705 ( -2.953 -8.309 0.000) 8.818 3.992 ( 7.114 -5.717 -0.000) 9.126 4.070 ( -1.468 3.257 -0.000) 3.572 5.312 ( -0.527 21.301 -0.000) 21.308 5.395 ( -0.764 21.951 -0.000) 21.965 5.777 ( 11.564 10.748 -0.000) 15.787 5.888 ( -5.615 6.380 0.000) 8.499 9.622 ( 7.374 7.986 -0.000) 10.869 9.850 ( 19.358 13.239 -0.000) 23.452 10.361 ( -5.502 0.419 0.000) 5.518 10.448 ( -16.300 2.435 0.000) 16.481======================= Grid point 114 (96/168) =======================q-point: ( 0.13 0.13 -0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.309 ( -0.000 -0.000 14.482) 14.482 0.376 ( -0.000 -0.000 17.864) 17.864 0.696 ( -0.000 -0.000 30.908) 30.908 1.679 ( 0.000 0.000 -0.352) 0.352 1.928 ( 0.000 0.000 -1.817) 1.817 2.578 ( 0.000 0.000 -3.475) 3.475 2.931 ( -0.000 -0.000 4.690) 4.690 3.341 ( 0.000 0.000 -0.787) 0.787 3.979 ( 0.000 0.000 -0.266) 0.266 4.080 ( 0.000 0.000 -0.204) 0.204 4.581 ( 0.000 0.000 -1.229) 1.229 4.801 ( 0.000 0.000 -0.487) 0.487 5.035 ( 0.000 0.000 -8.788) 8.788 5.394 ( -0.000 -0.000 0.537) 0.537 8.197 ( -0.000 -0.000 0.737) 0.737 8.329 ( 0.000 0.000 -0.464) 0.464 10.700 ( -0.000 -0.000 4.281) 4.281 12.022 ( 0.000 0.000 -5.248) 5.248======================= Grid point 115 (97/168) =======================q-point: (-0.37 0.13 -0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.091 ( 0.000 -2.033 -5.413) 5.782 1.706 ( -0.000 -0.697 -0.024) 0.697 2.019 ( -0.000 -1.072 -0.438) 1.157 2.319 ( -0.000 -2.996 8.886) 9.378 2.709 ( 0.000 -2.821 -5.958) 6.592 3.134 ( -0.000 -1.976 -0.176) 1.984 3.714 ( 0.000 15.754 -1.334) 15.810 3.806 ( 0.000 8.780 1.024) 8.840 3.876 ( -0.000 -6.540 -0.840) 6.594 4.124 ( -0.000 -17.260 -3.318) 17.576 4.406 ( -0.000 0.699 8.206) 8.235 4.972 ( 0.000 6.599 -3.420) 7.432 7.017 ( -0.000 -3.987 2.503) 4.707 7.455 ( 0.000 17.669 0.031) 17.669 8.238 ( -0.000 -0.425 -0.101) 0.437 8.314 ( 0.000 0.317 0.094) 0.331 10.523 ( -0.000 -8.534 -4.390) 9.596 10.808 ( -0.000 -2.327 2.937) 3.748======================= Grid point 116 (98/168) =======================q-point: ( 0.33 -0.33 -0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 278Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.290 ( 0.779 -0.431 -0.000) 0.891 1.407 ( -5.940 -12.159 0.000) 13.533 1.965 ( 0.497 -9.038 0.000) 9.052 2.282 ( -6.380 10.048 0.000) 11.902 2.381 ( -4.956 -3.182 0.000) 5.890 3.210 ( -15.662 -14.561 0.000) 21.385 3.637 ( 19.350 -27.255 -0.000) 33.426 3.773 ( -4.845 -5.749 0.000) 7.519 3.991 ( -0.954 1.639 0.000) 1.896 4.271 ( 8.242 -5.421 -0.000) 9.865 4.841 ( -1.630 23.781 -0.000) 23.837 4.954 ( 2.025 22.671 -0.000) 22.761 5.445 ( -16.239 15.490 0.000) 22.442 5.768 ( 9.398 12.749 -0.000) 15.839 9.535 ( -0.943 11.525 -0.000) 11.563 9.998 ( 15.773 8.618 -0.000) 17.974 10.012 ( -15.907 1.634 0.000) 15.991 10.282 ( 0.568 1.558 -0.000) 1.658======================= Grid point 117 (99/168) =======================q-point: (-0.17 -0.33 -0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.171 ( -6.593 7.819 -1.404) 10.324 1.282 ( 2.356 2.763 1.448) 3.909 1.782 ( 2.414 10.103 -0.063) 10.388 2.352 ( -6.273 6.234 -1.987) 9.064 2.485 ( -0.180 -3.600 0.566) 3.649 2.923 ( -6.367 10.908 0.002) 12.630 3.187 ( 11.847 21.300 -0.962) 24.392 3.601 ( 0.037 1.409 -0.249) 1.431 4.037 ( -1.134 -1.962 0.397) 2.301 4.162 ( 2.697 7.126 1.775) 7.824 5.284 ( -0.710 -20.973 -0.202) 20.986 5.413 ( 1.064 -21.696 -0.039) 21.722 5.696 ( -8.569 -10.854 -0.928) 13.860 5.951 ( 3.278 -7.489 1.021) 8.238 9.687 ( -1.551 -9.091 2.641) 9.593 9.952 ( -20.309 -10.149 3.797) 23.019 10.284 ( 4.451 -1.292 -3.414) 5.756 10.371 ( 13.357 -3.271 -2.637) 14.003======================= Grid point 118 (100/168) =======================q-point: ( 0.53 0.22 -0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.127 ( 1.515 0.136 -3.329) 3.660 1.615 ( -4.157 8.897 1.047) 9.876 1.909 ( -2.300 3.825 -0.026) 4.464 2.417 ( 0.752 -5.199 9.854) 11.166 2.647 ( -5.591 10.877 -0.090) 12.230 3.004 ( -11.672 13.254 -1.500) 17.725 3.247 ( 0.907 -0.986 -3.754) 3.986 3.733 ( 12.058 13.322 -4.440) 18.509 3.996 ( -11.498 -17.041 -0.704) 20.569 4.299 ( 2.284 4.051 6.839) 8.271 4.684 ( 12.221 0.087 4.050) 12.875 4.984 ( 9.467 -4.287 -7.725) 12.949 6.568 ( -16.024 22.233 2.965) 27.566 6.847 ( -22.582 14.825 -6.175) 27.711 8.476 ( 17.978 6.281 -0.223) 19.045 8.577 ( 22.636 0.883 -2.311) 22.770 10.720 ( -0.159 -10.363 -0.348) 10.370 10.837 ( -3.796 -4.526 5.230) 7.890======================= Grid point 120 (101/168) =======================q-point: (-0.27 -0.23 -0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 442Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.042 ( 2.859 -3.601 -2.543) 5.255 1.298 ( 2.178 -0.306 1.114) 2.466 1.676 ( 4.570 8.646 0.590) 9.797 2.201 ( 0.279 -6.524 0.624) 6.560 2.460 ( -1.246 1.744 0.893) 2.322 2.845 ( 0.945 2.063 -4.164) 4.742 3.021 ( 9.799 16.408 -0.912) 19.133 3.587 ( -1.216 -0.714 -1.169) 1.831 3.970 ( 0.061 4.066 4.035) 5.729 4.202 ( 5.740 0.322 0.596) 5.779 5.505 ( -11.499 -11.660 -2.099) 16.510 5.753 ( -3.034 -11.530 0.214) 11.924 5.828 ( 4.043 -9.954 -0.421) 10.752 6.017 ( -0.766 -0.073 2.151) 2.285 9.648 ( -13.991 -2.565 2.491) 14.440 9.848 ( -13.288 -13.221 4.746) 19.336 10.388 ( 4.767 -1.664 -5.025) 7.124 10.582 ( 6.149 4.549 -1.755) 7.848======================= Grid point 121 (102/168) =======================q-point: ( 0.23 -0.23 -0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.250 ( -6.120 0.158 0.000) 6.122 1.458 ( -11.200 -11.773 0.000) 16.250 1.997 ( -3.964 6.074 0.000) 7.253 2.033 ( -6.750 -1.302 0.000) 6.874 2.352 ( -3.621 -3.266 0.000) 4.876 3.057 ( -20.157 -5.614 0.000) 20.924 3.732 ( -3.721 0.077 0.000) 3.721 3.965 ( -6.128 -5.239 0.000) 8.062 4.383 ( -5.038 14.387 -0.000) 15.244 4.458 ( 8.003 -14.527 -0.000) 16.586 4.521 ( 10.284 -8.528 -0.000) 13.360 4.669 ( 7.880 12.478 -0.000) 14.757 4.691 ( -19.678 21.818 0.000) 29.381 5.636 ( 3.040 13.522 -0.000) 13.859 9.098 ( -17.935 6.941 0.000) 19.231 9.900 ( 1.915 -0.063 -0.000) 1.916 10.131 ( 6.678 0.551 -0.000) 6.701 10.362 ( 12.140 3.240 -0.000) 12.565======================= Grid point 123 (103/168) =======================q-point: ( 0.43 0.32 -0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.083 ( -3.513 7.286 2.161) 8.372 1.271 ( -2.706 8.752 -0.125) 9.162 1.877 ( 3.267 2.227 -0.172) 3.957 2.080 ( -5.909 15.070 -0.907) 16.213 2.544 ( -0.745 -5.826 10.801) 12.295 2.791 ( 0.814 5.589 0.879) 5.716 3.350 ( 3.606 -2.320 -1.536) 4.554 3.753 ( 8.162 5.033 -9.468) 13.475 4.083 ( -4.601 -6.022 1.258) 7.682 4.278 ( -2.263 -4.252 4.286) 6.448 4.724 ( 9.781 11.332 -0.638) 14.983 5.359 ( 10.580 -2.330 -2.108) 11.036 5.829 ( -8.621 24.181 -0.090) 25.672 6.000 ( -17.521 26.859 -3.427) 32.251 8.663 ( 16.699 9.876 -0.692) 19.413 8.983 ( 19.587 3.210 -5.290) 20.541 10.771 ( -6.233 -2.153 5.992) 8.910 10.912 ( -3.906 -8.702 0.579) 9.556======================= Grid point 124 (104/168) =======================q-point: ( 0.14 -0.14 -0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.032 ( -13.927 0.000 0.000) 13.927 1.389 ( -12.698 0.000 0.000) 12.698 1.722 ( -19.233 0.000 0.000) 19.233 1.915 ( 0.773 -0.000 -0.000) 0.773 2.361 ( -1.573 0.000 0.000) 1.573 2.626 ( -24.790 0.000 0.000) 24.790 3.592 ( -13.649 0.000 0.000) 13.649 3.876 ( -18.060 0.000 0.000) 18.060 4.025 ( -2.269 0.000 0.000) 2.269 4.178 ( -2.948 0.000 0.000) 2.948 4.538 ( 2.008 -0.000 -0.000) 2.008 4.680 ( 5.351 -0.000 -0.000) 5.351 5.026 ( 11.871 -0.000 -0.000) 11.871 5.437 ( -5.267 0.000 0.000) 5.267 8.696 ( -14.448 0.000 0.000) 14.448 9.972 ( 4.045 -0.000 -0.000) 4.045 10.266 ( 6.943 -0.000 -0.000) 6.943 10.599 ( 12.408 -0.000 -0.000) 12.408======================= Grid point 125 (105/168) =======================q-point: (-0.36 -0.14 -0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.210 ( 1.473 0.000 0.000) 1.473 1.461 ( 12.112 0.000 0.000) 12.112 1.626 ( 2.492 0.000 -0.000) 2.492 2.377 ( -3.141 0.000 0.000) 3.141 2.587 ( 8.391 0.000 -0.000) 8.391 2.808 ( 12.667 -0.000 0.000) 12.667 2.983 ( 2.735 -0.000 0.000) 2.735 3.555 ( -2.427 0.000 -0.000) 2.427 3.951 ( 1.879 0.000 0.000) 1.879 4.321 ( 5.455 0.000 -0.000) 5.455 5.344 ( -16.795 0.000 0.000) 16.795 5.609 ( -16.098 0.000 0.000) 16.098 6.049 ( 10.857 0.000 0.000) 10.857 6.214 ( 13.716 0.000 0.000) 13.716 9.361 ( -17.687 0.000 0.000) 17.687 9.665 ( -19.678 0.000 0.000) 19.678 10.502 ( 2.845 0.000 0.000) 2.845 10.585 ( 4.504 -0.000 -0.000) 4.504======================= Grid point 127 (106/168) =======================q-point: ( 0.34 0.41 -0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.960 ( 6.391 0.565 5.913) 8.725 1.222 ( 3.956 -0.704 -4.042) 5.699 1.917 ( 5.326 2.846 -0.463) 6.057 2.128 ( 13.058 -8.316 0.518) 15.490 2.548 ( -3.282 0.507 11.065) 11.553 2.797 ( 5.003 -1.965 0.389) 5.389 3.473 ( 3.739 -2.862 0.197) 4.713 3.869 ( 5.741 -1.397 -9.772) 11.419 4.026 ( 2.204 6.815 1.678) 7.357 4.390 ( -8.023 -15.761 0.602) 17.696 4.699 ( 12.429 14.739 0.036) 19.280 5.086 ( -6.657 22.550 0.225) 23.513 5.135 ( -6.958 26.777 -0.846) 27.680 5.699 ( 9.258 8.101 -1.756) 12.426 8.803 ( 16.818 9.284 -1.507) 19.269 9.214 ( 11.078 4.542 -5.784) 13.297 10.640 ( -9.054 -0.826 6.524) 11.191 10.894 ( -8.924 -2.113 -0.300) 9.176======================= Grid point 132 (107/168) =======================q-point: ( 0.24 0.51 -0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.126 ( 6.814 0.002 -0.657) 6.846 1.459 ( 8.129 -7.290 -0.550) 10.933 1.983 ( 6.769 2.690 -0.554) 7.305 2.287 ( -3.230 3.540 4.855) 6.822 2.680 ( -0.046 -8.581 3.125) 9.133 3.198 ( 22.220 -13.026 0.704) 25.766 3.607 ( 2.967 -3.348 3.410) 5.624 3.865 ( -1.794 3.250 -0.942) 3.830 4.100 ( 8.873 -1.081 -9.293) 12.894 4.472 ( -2.592 7.407 -0.343) 7.855 4.504 ( -1.406 5.068 -0.636) 5.298 4.686 ( -11.135 0.614 0.570) 11.166 4.785 ( 16.903 17.226 2.277) 24.241 5.586 ( -1.140 12.038 -0.378) 12.098 9.008 ( 18.586 6.043 -1.703) 19.618 9.291 ( 6.038 3.763 -5.558) 9.028 10.463 ( -8.417 0.178 4.921) 9.752 10.647 ( -15.480 1.184 1.262) 15.576======================= Grid point 135 (108/168) =======================q-point: ( 0.15 0.60 -0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 242Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.241 ( 4.653 -0.000 -1.388) 4.856 1.660 ( 3.235 -0.000 -0.298) 3.249 2.062 ( 1.831 -0.000 4.036) 4.432 2.173 ( -2.404 0.000 1.211) 2.692 2.704 ( -4.729 0.000 -5.591) 7.323 3.615 ( 0.549 -0.000 3.891) 3.930 3.700 ( 1.586 -0.000 5.986) 6.192 3.967 ( 15.605 -0.000 -4.953) 16.372 4.300 ( 6.774 0.000 -7.638) 10.209 4.346 ( 0.295 -0.000 1.299) 1.332 4.413 ( 0.868 0.000 -0.913) 1.260 4.529 ( -14.168 0.000 0.997) 14.203 4.924 ( 16.168 -0.000 4.227) 16.712 5.292 ( -10.813 0.000 -0.758) 10.840 9.255 ( 7.283 -0.000 0.828) 7.330 9.428 ( 16.006 -0.000 -6.176) 17.156 10.279 ( -17.076 0.000 2.474) 17.254 10.320 ( -6.177 0.000 2.367) 6.615======================= Grid point 137 (109/168) =======================q-point: ( 0.35 0.15 -0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.058 ( -0.000 2.253 7.325) 7.664 1.198 ( 0.000 15.444 5.217) 16.302 1.316 ( 0.000 19.660 0.845) 19.678 2.088 ( 0.000 15.672 1.259) 15.722 2.362 ( 0.000 21.846 -0.046) 21.846 2.401 ( -0.000 -2.417 11.484) 11.735 3.069 ( 0.000 8.854 4.393) 9.884 3.303 ( 0.000 -0.623 -1.675) 1.787 4.065 ( 0.000 2.905 -3.629) 4.648 4.638 ( 0.000 -2.696 -5.438) 6.069 4.640 ( -0.000 -7.640 -0.544) 7.660 5.207 ( 0.000 6.470 -4.483) 7.872 5.456 ( 0.000 21.833 0.413) 21.837 6.342 ( 0.000 50.762 -37.044) 62.841 8.225 ( -0.000 0.334 1.046) 1.098 8.314 ( 0.000 -0.058 -0.745) 0.748 10.791 ( -0.000 -1.271 7.022) 7.137 11.247 ( -0.000 -19.733 9.370) 21.845======================= Grid point 138 (110/168) =======================q-point: (-0.15 0.15 -0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.766 ( -0.000 -9.945 0.000) 9.945 1.405 ( -0.000 -14.396 0.000) 14.396 1.664 ( -0.000 -15.402 0.000) 15.402 2.202 ( -0.000 -6.931 0.000) 6.931 2.471 ( -0.000 -7.983 0.000) 7.983 2.755 ( -0.000 -19.310 0.000) 19.310 3.177 ( -0.000 -19.354 0.000) 19.354 3.373 ( -0.000 -3.507 0.000) 3.507 4.323 ( -0.000 -6.239 0.000) 6.239 4.448 ( 0.000 16.094 -0.000) 16.094 4.462 ( 0.000 12.004 -0.000) 12.004 5.279 ( 0.000 5.789 -0.000) 5.789 6.076 ( -0.000 -35.560 0.000) 35.560 8.212 ( -0.000 -0.639 0.000) 0.639 8.232 ( 0.000 13.221 -0.000) 13.221 8.327 ( 0.000 0.223 -0.000) 0.223 10.162 ( -0.000 -3.594 0.000) 3.594 10.752 ( -0.000 -1.828 0.000) 1.828======================= Grid point 141 (111/168) =======================q-point: (-0.25 0.25 -0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 278Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.969 ( 3.932 -5.645 -0.000) 6.879 1.538 ( -7.739 -13.099 0.000) 15.214 1.892 ( -1.123 -3.540 0.000) 3.713 2.363 ( 1.642 -8.012 0.000) 8.179 2.527 ( -2.665 -3.605 0.000) 4.483 2.945 ( -8.499 -14.642 0.000) 16.930 3.373 ( -2.578 -6.548 0.000) 7.037 3.880 ( -13.842 22.654 0.000) 26.548 3.999 ( 20.190 -21.133 -0.000) 29.227 4.303 ( 4.123 13.109 -0.000) 13.742 4.436 ( 2.184 -5.602 0.000) 6.013 5.224 ( 8.875 8.817 -0.000) 12.511 6.570 ( -11.569 -21.846 0.000) 24.720 7.170 ( -40.965 1.186 0.000) 40.982 8.489 ( 15.034 -3.370 -0.000) 15.407 8.918 ( 36.236 14.124 -0.000) 38.892 10.262 ( -0.898 -8.226 0.000) 8.275 10.767 ( -1.952 -1.642 0.000) 2.551======================= Grid point 142 (112/168) =======================q-point: ( 0.25 0.25 -0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.649 ( -5.247 6.010 12.662) 14.966 1.014 ( 5.687 8.347 6.995) 12.286 1.323 ( 14.277 8.226 3.446) 16.833 1.798 ( 4.064 2.361 -1.043) 4.814 2.192 ( 10.598 12.160 2.181) 16.277 2.476 ( 0.854 -0.874 14.503) 14.554 3.043 ( 8.289 5.093 3.292) 10.270 3.374 ( 5.053 -2.642 -1.244) 5.836 3.995 ( -0.503 2.736 -2.885) 4.008 4.626 ( -2.097 6.127 -6.938) 9.491 4.664 ( -5.167 9.410 -1.124) 10.794 4.910 ( -8.068 33.656 -15.188) 37.795 4.986 ( 4.628 21.887 -5.886) 23.132 5.362 ( -2.283 -0.633 -0.355) 2.395 8.344 ( 4.218 0.495 -1.255) 4.428 8.564 ( 25.967 1.776 -8.932) 27.518 10.768 ( -4.477 -0.755 7.732) 8.966 11.507 ( -12.644 -15.088 1.848) 19.772======================= Grid point 145 (113/168) =======================q-point: ( 0.16 0.34 -0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 248Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.838 ( 7.045 -0.000 4.753) 8.498 1.097 ( 15.183 -0.000 1.044) 15.219 1.498 ( 12.686 -0.000 1.421) 12.766 2.195 ( 3.027 -0.000 4.063) 5.066 2.214 ( 23.792 -0.000 2.826) 23.959 2.457 ( 2.836 -0.000 16.401) 16.645 3.221 ( 16.561 -0.000 0.905) 16.586 3.568 ( 6.817 -0.000 -3.245) 7.550 3.952 ( -0.371 0.000 -2.298) 2.328 4.139 ( 2.408 -0.000 1.224) 2.702 4.527 ( -0.979 0.000 -1.864) 2.105 4.666 ( -3.569 0.000 -10.722) 11.301 5.167 ( 12.139 -0.000 -2.417) 12.377 5.250 ( -7.760 0.000 0.867) 7.808 8.451 ( 7.815 -0.000 -0.995) 7.878 9.028 ( 19.488 0.000 -15.240) 24.739 10.647 ( -7.650 -0.000 7.759) 10.896 11.298 ( -18.792 0.000 1.955) 18.893======================= Grid point 146 (114/168) =======================q-point: (-0.34 0.34 -0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.120 ( 3.770 -1.552 -0.000) 4.077 1.645 ( -6.059 -11.868 0.000) 13.325 1.733 ( -8.961 7.891 0.000) 11.940 2.536 ( -1.981 -2.239 0.000) 2.990 2.560 ( 2.750 -4.602 -0.000) 5.361 3.073 ( -7.227 -14.799 0.000) 16.470 3.087 ( -14.758 24.030 0.000) 28.200 3.475 ( -1.971 -8.655 0.000) 8.876 4.100 ( 0.316 12.173 -0.000) 12.177 4.312 ( -3.204 -2.258 0.000) 3.920 4.973 ( 21.375 -14.470 -0.000) 25.812 5.278 ( 15.223 11.271 -0.000) 18.942 6.465 ( -17.364 -1.066 0.000) 17.397 6.473 ( -23.673 5.037 0.000) 24.203 8.966 ( 21.178 -2.771 -0.000) 21.358 9.229 ( 25.629 16.546 -0.000) 30.506 10.463 ( -0.494 -13.501 0.000) 13.510 10.732 ( -4.762 -1.566 0.000) 5.013======================= Grid point 149 (115/168) =======================q-point: ( 0.56 0.44 -0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 278Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.164 ( 1.035 2.347 -0.000) 2.565 1.337 ( -9.703 8.847 0.000) 13.130 1.752 ( -4.526 -9.957 0.000) 10.937 2.250 ( -6.716 15.550 -0.000) 16.938 2.532 ( -2.783 -2.170 0.000) 3.528 2.878 ( 4.580 -1.315 -0.000) 4.765 3.220 ( -5.421 -13.000 0.000) 14.085 3.627 ( -3.947 -12.806 0.000) 13.400 3.881 ( -0.745 7.609 -0.000) 7.646 4.237 ( -4.282 1.106 0.000) 4.423 5.365 ( 17.177 13.965 -0.000) 22.137 5.525 ( 12.206 -2.458 -0.000) 12.450 5.987 ( -8.569 9.153 0.000) 12.538 6.035 ( -12.127 12.657 0.000) 17.529 9.329 ( 14.815 3.238 -0.000) 15.165 9.352 ( 20.977 17.649 -0.000) 27.414 10.637 ( -7.274 -1.293 0.000) 7.388 10.700 ( -1.779 -10.363 0.000) 10.515======================= Grid point 155 (116/168) =======================q-point: ( 0.47 0.53 -0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.152 ( 3.659 0.855 -0.000) 3.758 1.182 ( 1.230 -3.931 0.000) 4.119 1.854 ( -3.719 -9.229 0.000) 9.950 2.223 ( 10.312 -7.079 -0.000) 12.508 2.510 ( -4.032 -2.716 0.000) 4.862 2.897 ( 1.320 4.129 -0.000) 4.335 3.356 ( -5.159 -11.835 0.000) 12.911 3.803 ( -7.062 -16.047 0.000) 17.532 3.868 ( 5.114 -2.195 -0.000) 5.566 4.114 ( -3.044 3.659 0.000) 4.759 5.348 ( -3.267 19.405 -0.000) 19.678 5.363 ( 8.749 19.866 -0.000) 21.708 5.574 ( 3.117 17.653 -0.000) 17.926 5.916 ( 2.689 3.485 -0.000) 4.401 9.437 ( 20.870 15.774 -0.000) 26.160 9.462 ( 8.768 6.509 -0.000) 10.920 10.498 ( -7.908 -0.523 0.000) 7.926 10.708 ( -9.462 -1.103 0.000) 9.526======================= Grid point 159 (117/168) =======================q-point: ( 0.37 -0.37 -0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 278Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.237 ( 4.108 0.051 -0.000) 4.108 1.423 ( 3.759 -10.109 0.000) 10.785 1.975 ( -1.144 -8.524 0.000) 8.600 2.387 ( -3.093 6.698 -0.000) 7.378 2.479 ( -4.955 -3.390 0.000) 6.004 3.238 ( 19.312 -22.777 -0.000) 29.862 3.464 ( -8.026 -11.995 0.000) 14.433 3.910 ( -8.927 -6.736 0.000) 11.183 4.018 ( -2.276 -3.792 0.000) 4.423 4.097 ( 8.776 -4.739 -0.000) 9.974 4.875 ( -2.241 22.050 -0.000) 22.164 4.931 ( 0.424 24.173 -0.000) 24.177 5.516 ( 15.129 15.746 -0.000) 21.836 5.709 ( -9.082 11.676 0.000) 14.792 9.463 ( 5.640 7.886 -0.000) 9.695 9.598 ( 21.770 11.833 -0.000) 24.778 10.353 ( -6.188 0.343 0.000) 6.197 10.386 ( -18.093 3.481 0.000) 18.424======================= Grid point 161 (118/168) =======================q-point: ( 0.58 0.18 -0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.110 ( 0.000 -0.043 -3.751) 3.751 1.658 ( 0.000 5.406 0.545) 5.433 1.933 ( 0.000 9.394 0.165) 9.395 2.409 ( -0.000 -5.943 10.329) 11.917 2.696 ( 0.000 5.366 -0.815) 5.428 3.150 ( -0.000 1.701 2.348) 2.899 3.406 ( 0.000 13.614 -9.340) 16.510 3.409 ( 0.000 20.551 -2.529) 20.706 4.185 ( -0.000 -15.218 -0.033) 15.218 4.259 ( -0.000 3.479 6.529) 7.398 4.503 ( -0.000 -8.144 5.791) 9.993 4.900 ( 0.000 -0.938 -9.400) 9.447 6.758 ( 0.000 28.250 4.163) 28.555 7.141 ( 0.000 16.062 -10.143) 18.996 8.245 ( -0.000 -0.259 0.252) 0.361 8.307 ( 0.000 0.340 -0.179) 0.384 10.722 ( -0.000 -10.428 -0.571) 10.443 10.877 ( -0.000 -5.257 5.521) 7.623======================= Grid point 163 (119/168) =======================q-point: (-0.22 -0.28 -0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 442Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.014 ( 0.353 6.747 -1.255) 6.872 1.260 ( 1.184 0.183 1.123) 1.642 1.606 ( 1.938 7.083 0.130) 7.344 2.261 ( -5.732 2.639 -0.268) 6.316 2.409 ( 6.066 7.678 1.632) 9.920 2.810 ( 1.494 12.062 -2.786) 12.469 2.913 ( 1.537 -1.989 -0.305) 2.533 3.604 ( -0.429 -1.501 -0.311) 1.592 3.980 ( -0.798 6.728 2.152) 7.109 4.106 ( 3.103 -0.848 -0.383) 3.239 5.629 ( -1.940 -13.804 -0.114) 13.940 5.764 ( 1.420 -13.498 -0.261) 13.575 5.841 ( -3.740 -3.824 -0.475) 5.370 6.044 ( -0.670 -2.093 0.843) 2.354 9.820 ( -3.786 -4.365 2.175) 6.174 10.140 ( -14.514 -8.081 2.174) 16.754 10.313 ( 2.296 -2.077 -2.419) 3.929 10.412 ( 10.564 -0.362 -1.725) 10.710======================= Grid point 164 (120/168) =======================q-point: ( 0.28 -0.28 -0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.296 ( 1.112 -0.159 -0.000) 1.123 1.603 ( -3.098 -7.299 0.000) 7.930 2.113 ( -1.034 -5.578 0.000) 5.673 2.117 ( -7.303 6.243 0.000) 9.608 2.435 ( -5.274 -2.465 0.000) 5.821 3.429 ( -15.145 -5.990 0.000) 16.287 3.794 ( -2.504 2.430 0.000) 3.489 4.096 ( -8.213 -11.647 0.000) 14.252 4.139 ( 20.289 -21.931 -0.000) 29.877 4.352 ( 8.294 -2.821 -0.000) 8.760 4.450 ( -2.857 14.445 -0.000) 14.725 4.574 ( 2.919 14.108 -0.000) 14.407 5.123 ( -20.201 16.381 0.000) 26.008 5.486 ( 11.588 15.052 -0.000) 18.996 9.350 ( -4.572 6.842 0.000) 8.229 9.849 ( 20.054 5.867 -0.000) 20.894 9.989 ( -12.509 0.824 0.000) 12.536 10.260 ( -1.290 0.717 0.000) 1.475======================= Grid point 166 (121/168) =======================q-point: ( 0.48 0.27 -0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.111 ( 0.465 1.342 -2.012) 2.463 1.385 ( -7.882 13.759 2.355) 16.031 1.778 ( 6.208 9.435 -0.109) 11.295 2.285 ( -12.697 20.565 -0.518) 24.175 2.553 ( -0.321 -6.970 13.611) 15.295 2.803 ( -2.001 10.329 0.873) 10.557 3.279 ( 3.011 -1.667 -1.716) 3.846 3.474 ( 17.673 12.481 -9.096) 23.470 4.140 ( -1.429 5.059 5.993) 7.972 4.350 ( -5.331 -11.855 2.383) 13.215 4.611 ( 3.599 4.510 -4.633) 7.400 5.129 ( 9.846 -7.750 -4.042) 13.166 6.012 ( -7.945 32.549 0.372) 33.507 6.416 ( -21.100 30.182 -7.590) 37.600 8.381 ( 10.694 3.400 -0.930) 11.260 8.549 ( 21.328 1.994 -2.381) 21.553 10.851 ( -1.979 -3.754 4.634) 6.284 11.002 ( -4.293 -11.283 2.370) 12.302======================= Grid point 167 (122/168) =======================q-point: ( 0.18 -0.18 -0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.248 ( -6.757 0.000 0.000) 6.757 1.588 ( -7.070 0.000 0.000) 7.070 1.936 ( -3.414 0.000 0.000) 3.414 2.041 ( -11.951 0.000 0.000) 11.951 2.385 ( -1.561 0.000 0.000) 1.561 3.102 ( -21.450 0.000 0.000) 21.450 3.724 ( -3.268 0.000 0.000) 3.268 4.100 ( -5.610 0.000 0.000) 5.610 4.242 ( -3.321 0.000 0.000) 3.321 4.393 ( -27.976 0.000 0.000) 27.976 4.485 ( 3.624 -0.000 -0.000) 3.624 4.553 ( 7.148 -0.000 -0.000) 7.148 4.752 ( 14.973 -0.000 -0.000) 14.973 5.458 ( 3.581 -0.000 -0.000) 3.581 9.030 ( -17.125 0.000 0.000) 17.125 9.900 ( 1.843 -0.000 -0.000) 1.843 10.124 ( 9.649 -0.000 -0.000) 9.649 10.330 ( 11.248 -0.000 -0.000) 11.248======================= Grid point 168 (123/168) =======================q-point: ( 0.68 -0.18 -0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.096 ( 9.062 -0.000 -0.000) 9.062 1.304 ( 3.529 -0.000 0.000) 3.529 1.573 ( 2.614 -0.000 -0.000) 2.614 2.366 ( 5.221 -0.000 -0.000) 5.221 2.415 ( 7.619 0.000 0.000) 7.619 2.654 ( 1.491 0.000 -0.000) 1.491 2.957 ( 0.317 -0.000 -0.000) 0.317 3.603 ( -2.044 -0.000 0.000) 2.044 3.917 ( 1.438 -0.000 -0.000) 1.438 4.202 ( 5.647 -0.000 0.000) 5.647 5.630 ( -11.282 -0.000 -0.000) 11.282 5.869 ( -4.071 -0.000 -0.000) 4.071 5.922 ( -2.792 -0.000 -0.000) 2.792 6.011 ( 6.910 -0.000 -0.000) 6.910 9.671 ( -12.813 -0.000 0.000) 12.813 9.998 ( -13.509 -0.000 -0.000) 13.509 10.438 ( 3.478 -0.000 -0.000) 3.478 10.489 ( 5.002 0.000 0.000) 5.002======================= Grid point 170 (124/168) =======================q-point: ( 0.38 0.37 -0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.912 ( -2.518 7.293 8.049) 11.150 1.167 ( 1.643 3.102 -3.642) 5.058 1.769 ( 9.195 8.369 -0.640) 12.450 1.916 ( 6.231 1.229 -0.660) 6.385 2.607 ( -1.665 4.442 11.205) 12.168 2.716 ( 2.975 -2.935 5.039) 6.547 3.384 ( 4.995 -0.846 -0.713) 5.116 3.625 ( 17.297 8.412 -8.598) 21.068 4.009 ( -0.541 5.943 4.645) 7.562 4.470 ( 1.152 -2.670 -2.144) 3.613 4.579 ( -2.004 -1.882 -3.634) 4.557 5.259 ( -9.078 21.607 0.103) 23.437 5.326 ( -10.407 29.087 -2.229) 30.973 5.473 ( 10.319 12.667 -3.292) 16.667 8.516 ( 11.596 5.248 -1.046) 12.771 8.916 ( 18.565 3.500 -5.418) 19.654 10.807 ( -6.931 -1.438 8.351) 10.948 11.066 ( -8.578 -7.216 -2.198) 11.423======================= Grid point 175 (125/168) =======================q-point: ( 0.29 0.46 -0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.981 ( 7.069 -1.672 2.505) 7.684 1.280 ( 8.952 -4.979 -2.128) 10.463 1.811 ( 10.165 7.029 -1.250) 12.421 2.281 ( 6.201 -4.161 1.686) 7.656 2.601 ( 7.936 -8.712 11.916) 16.759 2.859 ( 8.186 -2.163 1.591) 8.615 3.518 ( 6.075 -1.176 1.990) 6.500 3.836 ( 17.152 5.811 -5.615) 18.961 3.900 ( -1.540 2.447 -0.941) 3.041 4.467 ( 3.378 9.256 -6.284) 11.687 4.532 ( 2.888 23.494 1.136) 23.698 4.558 ( -1.946 4.889 -0.677) 5.306 4.929 ( -10.610 -5.602 0.387) 12.004 5.515 ( 7.510 10.537 -0.816) 12.965 8.674 ( 13.966 4.108 -1.399) 14.624 9.138 ( 10.152 2.992 -6.019) 12.175 10.649 ( -9.528 -0.143 8.012) 12.449 10.927 ( -12.849 -1.297 -2.191) 13.099======================= Grid point 178 (126/168) =======================q-point: ( 0.19 0.56 -0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 242Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.124 ( 6.448 -0.000 -1.520) 6.625 1.547 ( 7.746 -0.000 -0.662) 7.774 1.937 ( 9.173 -0.000 0.007) 9.173 2.253 ( -3.971 -0.000 5.087) 6.453 2.773 ( -2.201 0.000 0.993) 2.415 3.334 ( 23.591 -0.000 5.336) 24.187 3.645 ( 4.014 -0.000 5.660) 6.938 3.844 ( -0.696 0.000 -5.664) 5.707 4.120 ( 12.744 0.000 -10.464) 16.489 4.296 ( 3.391 -0.000 1.770) 3.825 4.434 ( -1.744 0.000 -1.629) 2.386 4.582 ( 14.276 -0.000 1.356) 14.340 4.821 ( -13.935 0.000 0.976) 13.969 5.429 ( -1.645 0.000 0.077) 1.647 8.949 ( 17.762 -0.000 -1.588) 17.832 9.252 ( 5.598 0.000 -5.706) 7.994 10.461 ( -8.577 0.000 5.289) 10.077 10.635 ( -16.328 0.000 0.903) 16.353======================= Grid point 184 (127/168) =======================q-point: (-0.20 0.20 -0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.927 ( -0.000 -6.521 0.000) 6.521 1.620 ( -0.000 -7.714 0.000) 7.714 1.904 ( -0.000 -9.286 0.000) 9.286 2.346 ( -0.000 -7.570 0.000) 7.570 2.553 ( -0.000 -1.594 0.000) 1.594 3.038 ( -0.000 -8.530 0.000) 8.530 3.536 ( -0.000 -13.915 0.000) 13.915 3.633 ( -0.000 -25.142 0.000) 25.142 4.099 ( 0.000 19.456 -0.000) 19.456 4.185 ( 0.000 16.371 -0.000) 16.371 4.427 ( -0.000 -4.437 0.000) 4.437 5.129 ( 0.000 9.341 -0.000) 9.341 6.703 ( -0.000 -26.518 0.000) 26.518 7.916 ( 0.000 19.540 -0.000) 19.540 8.225 ( -0.000 -0.648 0.000) 0.648 8.322 ( 0.000 0.317 -0.000) 0.317 10.271 ( -0.000 -7.894 0.000) 7.894 10.788 ( -0.000 -2.055 0.000) 2.055======================= Grid point 185 (128/168) =======================q-point: ( 0.30 0.20 -0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.833 ( 0.000 20.259 6.773) 21.361 0.888 ( 0.000 14.848 10.669) 18.283 1.131 ( -0.000 -1.736 10.073) 10.222 1.804 ( 0.000 12.159 -1.162) 12.214 2.008 ( 0.000 13.276 -2.285) 13.471 2.486 ( -0.000 -6.843 15.751) 17.173 2.972 ( -0.000 0.867 4.102) 4.193 3.315 ( 0.000 -0.531 -1.243) 1.351 4.001 ( 0.000 3.112 -2.536) 4.015 4.646 ( 0.000 4.705 -6.894) 8.347 4.752 ( -0.000 -3.767 -0.639) 3.821 4.833 ( 0.000 17.473 -6.392) 18.606 5.101 ( 0.000 66.954 -28.488) 72.762 5.393 ( 0.000 -0.198 -0.785) 0.809 8.220 ( -0.000 0.207 1.172) 1.190 8.315 ( 0.000 -0.043 -0.817) 0.818 10.815 ( -0.000 -1.046 7.654) 7.725 11.650 ( -0.000 -19.424 -0.210) 19.425======================= Grid point 188 (129/168) =======================q-point: ( 0.20 0.30 -0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 248Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.738 ( 2.679 -0.000 12.092) 12.385 0.774 ( 15.714 -0.000 6.139) 16.870 1.270 ( 8.966 -0.000 7.979) 12.002 1.818 ( 14.334 -0.000 0.741) 14.353 2.016 ( 11.686 -0.000 -1.168) 11.744 2.514 ( -6.980 -0.000 15.826) 17.297 3.011 ( 3.656 -0.000 3.168) 4.838 3.435 ( 7.150 -0.000 -3.554) 7.985 3.959 ( -0.270 0.000 -1.666) 1.687 4.101 ( 1.295 -0.000 1.102) 1.701 4.542 ( -0.471 0.000 -1.978) 2.033 4.729 ( -2.564 0.000 -12.445) 12.706 4.928 ( 10.519 -0.000 -3.707) 11.153 5.368 ( -3.914 0.000 0.759) 3.987 8.339 ( 3.683 -0.000 -1.228) 3.882 8.546 ( 25.238 -0.000 -8.626) 26.672 10.776 ( -4.758 -0.000 7.906) 9.227 11.674 ( -16.926 0.000 -3.639) 17.313======================= Grid point 189 (130/168) =======================q-point: (-0.30 0.30 -0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.051 ( 2.716 -2.844 -0.000) 3.932 1.695 ( -1.072 -2.184 0.000) 2.433 1.930 ( -7.891 -0.723 0.000) 7.924 2.506 ( 2.060 -6.136 0.000) 6.473 2.567 ( -1.073 -1.935 0.000) 2.212 3.140 ( -0.075 -5.218 0.000) 5.218 3.414 ( -16.911 24.602 0.000) 29.853 3.625 ( -12.510 -18.149 0.000) 22.043 4.019 ( 8.216 15.997 -0.000) 17.984 4.311 ( 6.828 -8.769 -0.000) 11.114 4.591 ( 12.476 -11.945 -0.000) 17.272 5.017 ( 9.476 12.107 -0.000) 15.375 6.835 ( -17.579 -4.868 0.000) 18.240 7.027 ( -29.568 13.827 0.000) 32.641 8.544 ( 19.074 -1.866 -0.000) 19.165 8.661 ( 29.375 11.765 -0.000) 31.644 10.469 ( -0.159 -12.510 0.000) 12.511 10.811 ( -2.873 -3.033 0.000) 4.177======================= Grid point 192 (131/168) =======================q-point: ( 0.61 0.39 -0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 278Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.130 ( 2.252 0.489 -0.000) 2.305 1.514 ( -7.357 12.243 0.000) 14.283 1.840 ( -4.092 -5.949 0.000) 7.220 2.434 ( -10.089 18.707 -0.000) 21.254 2.585 ( -2.626 -3.501 0.000) 4.376 2.815 ( 0.155 2.146 -0.000) 2.151 3.255 ( 1.251 -5.070 0.000) 5.222 3.768 ( -9.566 -19.029 0.000) 21.298 3.859 ( 3.979 12.174 -0.000) 12.808 4.325 ( -4.090 0.594 0.000) 4.133 5.018 ( 16.141 15.000 -0.000) 22.034 5.209 ( 17.799 -9.467 -0.000) 20.160 6.257 ( -17.163 16.822 0.000) 24.032 6.349 ( -18.812 12.960 0.000) 22.844 8.910 ( 22.559 15.328 -0.000) 27.274 8.977 ( 19.959 1.255 -0.000) 19.998 10.716 ( -0.146 -11.427 0.000) 11.428 10.780 ( -6.605 -3.332 0.000) 7.398======================= Grid point 198 (132/168) =======================q-point: ( 0.51 0.49 -0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.103 ( 0.943 3.422 -0.000) 3.549 1.188 ( -2.194 5.294 -0.000) 5.730 1.902 ( -0.675 -4.479 0.000) 4.529 2.064 ( 4.573 2.721 -0.000) 5.321 2.593 ( -4.360 -4.519 0.000) 6.280 2.853 ( 3.004 3.833 -0.000) 4.870 3.387 ( 1.245 -5.979 0.000) 6.107 3.776 ( 4.659 3.270 -0.000) 5.692 3.962 ( -7.605 -17.807 0.000) 19.363 4.201 ( -5.716 1.321 0.000) 5.867 5.053 ( 18.112 17.616 -0.000) 25.266 5.428 ( -2.778 13.107 -0.000) 13.398 5.674 ( -10.191 23.996 -0.000) 26.071 5.813 ( 5.324 7.209 -0.000) 8.962 9.026 ( 19.653 14.983 -0.000) 24.713 9.250 ( 12.812 4.669 -0.000) 13.636 10.673 ( -9.248 -2.336 0.000) 9.539 10.840 ( -3.971 -4.034 0.000) 5.661======================= Grid point 202 (133/168) =======================q-point: ( 0.42 0.58 -0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 278Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.139 ( 5.258 0.766 -0.000) 5.314 1.298 ( 7.562 -7.566 -0.000) 10.697 1.980 ( 1.280 -3.030 0.000) 3.289 2.360 ( 6.923 -3.377 -0.000) 7.702 2.587 ( -5.791 -5.317 0.000) 7.862 2.910 ( 11.753 -8.627 -0.000) 14.579 3.535 ( -0.106 -7.632 0.000) 7.633 3.921 ( 8.739 -2.639 -0.000) 9.128 4.015 ( -1.837 6.063 -0.000) 6.335 4.177 ( -11.791 -20.083 0.000) 23.289 4.918 ( 2.700 24.487 -0.000) 24.635 4.949 ( -5.351 19.942 -0.000) 20.647 5.198 ( 13.823 20.291 -0.000) 24.552 5.793 ( 0.871 8.984 -0.000) 9.026 9.163 ( 20.599 11.764 -0.000) 23.721 9.335 ( 7.139 6.207 -0.000) 9.460 10.511 ( -9.312 -0.732 0.000) 9.340 10.693 ( -12.028 2.037 0.000) 12.199======================= Grid point 208 (134/168) =======================q-point: ( 0.32 -0.32 -0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.231 ( 4.776 0.463 -0.000) 4.799 1.589 ( 4.114 -6.464 -0.000) 7.663 2.084 ( 3.536 -2.630 -0.000) 4.407 2.260 ( -6.203 5.150 0.000) 8.062 2.561 ( -6.841 -4.627 0.000) 8.259 3.633 ( -5.305 -5.208 0.000) 7.434 3.691 ( 23.712 -20.507 -0.000) 31.349 3.839 ( -2.072 5.737 -0.000) 6.100 4.168 ( 9.806 -2.474 -0.000) 10.113 4.309 ( -11.751 -16.151 0.000) 19.973 4.519 ( -4.665 12.340 -0.000) 13.192 4.526 ( 2.009 14.960 -0.000) 15.094 5.186 ( 17.543 16.803 -0.000) 24.292 5.452 ( -11.759 13.516 0.000) 17.915 9.333 ( 3.942 4.990 -0.000) 6.359 9.411 ( 22.149 6.825 -0.000) 23.177 10.327 ( -18.048 2.261 0.000) 18.190 10.348 ( -6.830 0.191 0.000) 6.832======================= Grid point 210 (135/168) =======================q-point: ( 0.53 0.23 -0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.101 ( 0.000 0.583 -2.495) 2.562 1.506 ( 0.000 9.804 1.497) 9.918 1.678 ( 0.000 16.099 0.157) 16.100 2.451 ( 0.000 13.641 -0.555) 13.653 2.564 ( -0.000 -4.619 16.023) 16.676 2.852 ( 0.000 24.752 2.030) 24.835 3.215 ( 0.000 6.553 -9.295) 11.373 3.249 ( 0.000 -0.453 -2.423) 2.464 4.154 ( -0.000 5.954 7.276) 9.402 4.446 ( -0.000 -11.432 -0.247) 11.435 4.542 ( 0.000 2.709 -4.005) 4.835 5.024 ( -0.000 -9.083 -5.479) 10.608 6.100 ( 0.000 36.322 0.778) 36.330 6.681 ( 0.000 32.584 -12.136) 34.770 8.248 ( -0.000 -0.063 0.689) 0.692 8.301 ( 0.000 0.262 -0.543) 0.603 10.869 ( -0.000 -4.738 3.817) 6.085 11.050 ( -0.000 -12.058 3.352) 12.515======================= Grid point 211 (136/168) =======================q-point: ( 0.23 -0.23 -0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.297 ( 1.346 -0.000 -0.000) 1.346 1.676 ( -1.658 0.000 0.000) 1.658 2.054 ( -7.593 0.000 0.000) 7.593 2.168 ( -0.488 0.000 0.000) 0.488 2.466 ( -6.734 0.000 0.000) 6.734 3.460 ( -13.741 0.000 0.000) 13.741 3.771 ( -1.607 0.000 0.000) 1.607 4.266 ( -10.430 0.000 0.000) 10.430 4.311 ( -3.972 0.000 0.000) 3.972 4.320 ( 15.976 -0.000 -0.000) 15.976 4.393 ( 8.784 -0.000 -0.000) 8.784 4.495 ( 7.223 -0.000 -0.000) 7.223 4.915 ( -22.748 0.000 0.000) 22.748 5.293 ( 12.487 -0.000 -0.000) 12.487 9.282 ( -5.473 0.000 0.000) 5.473 9.789 ( 21.200 -0.000 -0.000) 21.200 9.980 ( -11.460 0.000 0.000) 11.460 10.253 ( -1.705 0.000 0.000) 1.705======================= Grid point 212 (137/168) =======================q-point: ( 0.73 -0.23 -0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.943 ( 4.537 -0.000 -0.000) 4.537 1.261 ( 1.084 -0.000 -0.000) 1.084 1.532 ( 1.156 -0.000 -0.000) 1.156 2.252 ( 3.753 -0.000 0.000) 3.753 2.306 ( 2.838 0.000 -0.000) 2.838 2.673 ( -1.274 0.000 -0.000) 1.274 2.957 ( -0.073 -0.000 -0.000) 0.073 3.631 ( -0.728 0.000 0.000) 0.728 3.896 ( 0.578 -0.000 -0.000) 0.578 4.117 ( 2.316 -0.000 -0.000) 2.316 5.795 ( -4.965 0.000 -0.000) 4.965 5.845 ( 0.862 -0.000 -0.000) 0.862 5.915 ( 2.989 -0.000 -0.000) 2.989 6.052 ( -3.842 -0.000 -0.000) 3.842 9.861 ( -5.361 -0.000 0.000) 5.361 10.221 ( -8.807 -0.000 -0.000) 8.807 10.375 ( 2.169 -0.000 -0.000) 2.169 10.378 ( 6.097 0.000 0.000) 6.097======================= Grid point 214 (138/168) =======================q-point: ( 0.43 0.32 -0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.047 ( -8.888 8.645 4.056) 13.045 1.147 ( -0.267 6.090 0.045) 6.096 1.556 ( 11.663 12.724 -0.214) 17.262 1.927 ( -7.566 14.229 -1.188) 16.159 2.546 ( 8.340 15.743 2.481) 17.988 2.700 ( -0.585 -7.629 15.783) 17.540 3.238 ( 11.161 8.940 -4.532) 15.001 3.329 ( 6.706 -0.923 -0.432) 6.783 4.031 ( -1.299 4.918 3.336) 6.083 4.457 ( -0.353 2.519 -9.331) 9.672 4.627 ( -1.162 -6.706 -0.916) 6.868 5.216 ( 8.756 5.318 -2.843) 10.631 5.408 ( -5.266 21.100 0.216) 21.749 5.661 ( -15.662 46.252 -8.772) 49.614 8.336 ( 6.305 1.399 -0.973) 6.532 8.507 ( 19.495 2.114 -2.186) 19.730 10.909 ( -3.247 -2.446 7.819) 8.812 11.231 ( -6.941 -11.818 -1.908) 13.838======================= Grid point 219 (139/168) =======================q-point: ( 0.33 0.42 -0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.868 ( 3.328 -2.775 7.767) 8.894 1.130 ( 5.074 0.946 -3.247) 6.098 1.580 ( 12.467 9.786 -1.577) 15.928 2.017 ( 15.947 -10.367 0.254) 19.022 2.461 ( 7.447 8.685 5.463) 12.678 2.807 ( -0.660 -3.793 13.493) 14.031 3.320 ( 14.039 7.488 -1.363) 15.969 3.520 ( 10.778 -0.047 0.800) 10.808 3.929 ( -1.390 2.439 -0.425) 2.839 4.404 ( 1.283 3.407 -12.001) 12.541 4.564 ( -3.871 32.644 -0.613) 32.879 4.610 ( -2.792 9.054 -1.665) 9.620 5.060 ( 0.191 -0.655 -0.636) 0.932 5.354 ( 4.952 5.356 -0.690) 7.327 8.448 ( 8.617 2.017 -1.005) 8.907 8.856 ( 17.725 2.346 -5.296) 18.648 10.827 ( -7.658 -0.619 9.690) 12.366 11.189 ( -13.327 -5.009 -5.075) 15.115======================= Grid point 222 (140/168) =======================q-point: ( 0.24 0.51 -0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 242Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.999 ( 5.382 -0.000 0.186) 5.385 1.355 ( 11.030 -0.000 -0.557) 11.044 1.716 ( 12.285 -0.000 -1.787) 12.414 2.306 ( -0.742 -0.000 4.348) 4.410 2.803 ( -1.250 -0.000 9.602) 9.683 2.809 ( 27.261 -0.000 3.302) 27.460 3.518 ( 9.935 -0.000 2.675) 10.288 3.782 ( 17.304 -0.000 -3.273) 17.611 3.875 ( -1.690 0.000 -3.001) 3.444 4.228 ( 3.259 -0.000 1.564) 3.615 4.411 ( 3.743 0.000 -8.726) 9.495 4.467 ( -1.370 0.000 -1.627) 2.127 5.076 ( -11.132 0.000 0.729) 11.156 5.359 ( 8.056 -0.000 -0.311) 8.062 8.635 ( 12.904 -0.000 -1.311) 12.971 9.107 ( 9.807 -0.000 -6.060) 11.529 10.649 ( -9.703 -0.000 8.519) 12.912 10.941 ( -14.499 0.000 -2.964) 14.799======================= Grid point 232 (141/168) =======================q-point: ( 0.25 0.25 -0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.577 ( -0.000 -0.000 11.448) 11.448 0.716 ( -0.000 -0.000 15.139) 15.139 1.173 ( -0.000 -0.000 13.895) 13.895 1.669 ( 0.000 0.000 -0.524) 0.524 1.874 ( 0.000 0.000 -3.353) 3.353 2.613 ( -0.000 -0.000 8.989) 8.989 3.020 ( -0.000 -0.000 4.065) 4.065 3.321 ( 0.000 0.000 -1.127) 1.127 3.961 ( 0.000 0.000 -1.470) 1.470 4.087 ( -0.000 -0.000 1.044) 1.044 4.547 ( 0.000 0.000 -2.015) 2.015 4.776 ( 0.000 0.000 -16.247) 16.247 4.788 ( 0.000 0.000 -0.669) 0.669 5.408 ( -0.000 -0.000 0.729) 0.729 8.218 ( -0.000 -0.000 1.210) 1.210 8.316 ( 0.000 0.000 -0.836) 0.836 10.826 ( -0.000 -0.000 7.908) 7.908 11.871 ( 0.000 0.000 -9.260) 9.260======================= Grid point 233 (142/168) =======================q-point: (-0.25 0.25 -0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.022 ( -0.000 -3.308 0.000) 3.308 1.705 ( -0.000 -0.986 0.000) 0.986 2.013 ( -0.000 -1.213 0.000) 1.213 2.485 ( -0.000 -6.191 0.000) 6.191 2.578 ( -0.000 -2.072 0.000) 2.072 3.132 ( -0.000 -2.765 0.000) 2.765 3.697 ( 0.000 21.324 -0.000) 21.324 3.822 ( 0.000 20.710 -0.000) 20.710 3.861 ( -0.000 -17.570 0.000) 17.570 4.092 ( -0.000 -20.141 0.000) 20.141 4.508 ( -0.000 -4.786 0.000) 4.786 4.921 ( 0.000 11.767 -0.000) 11.767 7.050 ( -0.000 -8.054 0.000) 8.054 7.455 ( 0.000 27.796 -0.000) 27.796 8.237 ( -0.000 -0.584 0.000) 0.584 8.315 ( 0.000 0.432 -0.000) 0.432 10.471 ( -0.000 -12.180 0.000) 12.180 10.841 ( -0.000 -3.585 0.000) 3.585======================= Grid point 236 (143/168) =======================q-point: ( 0.65 0.35 -0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 278Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.083 ( 2.045 -0.624 -0.000) 2.138 1.626 ( -3.721 8.277 -0.000) 9.075 1.908 ( -2.444 3.702 0.000) 4.436 2.557 ( -1.515 3.732 -0.000) 4.028 2.636 ( -2.222 -5.495 0.000) 5.927 2.964 ( -15.084 18.646 0.000) 23.983 3.208 ( 2.540 -2.681 -0.000) 3.693 3.685 ( 13.524 17.838 -0.000) 22.385 3.991 ( -12.019 -17.560 0.000) 21.279 4.379 ( -0.291 -0.459 0.000) 0.544 4.762 ( 8.437 13.672 -0.000) 16.066 4.859 ( 15.186 -13.563 -0.000) 20.361 6.626 ( -17.413 26.732 0.000) 31.904 6.758 ( -19.842 12.683 0.000) 23.549 8.473 ( 19.161 7.322 -0.000) 20.512 8.555 ( 20.157 0.655 -0.000) 20.167 10.716 ( 0.090 -11.789 0.000) 11.789 10.891 ( -4.082 -5.202 0.000) 6.612======================= Grid point 242 (144/168) =======================q-point: ( 0.56 0.44 -0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.099 ( 0.166 2.705 -0.000) 2.710 1.271 ( -5.815 11.791 -0.000) 13.147 1.875 ( 3.312 2.349 -0.000) 4.060 2.070 ( -5.735 15.166 -0.000) 16.214 2.687 ( -4.789 -6.829 0.000) 8.340 2.790 ( 2.827 2.845 -0.000) 4.011 3.334 ( 3.566 -3.782 -0.000) 5.199 3.639 ( 10.063 10.087 -0.000) 14.248 4.096 ( -6.016 -9.850 0.000) 11.542 4.331 ( -6.334 -4.706 0.000) 7.891 4.709 ( 14.626 16.114 -0.000) 21.762 5.337 ( 11.384 -3.534 -0.000) 11.920 5.839 ( -7.844 24.837 -0.000) 26.046 5.956 ( -17.351 27.288 0.000) 32.337 8.655 ( 16.741 10.385 -0.000) 19.701 8.931 ( 18.778 3.181 -0.000) 19.046 10.861 ( -8.961 -4.926 0.000) 10.226 10.889 ( -1.370 -6.176 0.000) 6.327======================= Grid point 246 (145/168) =======================q-point: ( 0.46 0.54 -0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 278Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.047 ( 3.174 2.257 -0.000) 3.895 1.155 ( 5.872 -1.988 -0.000) 6.200 1.912 ( 5.524 3.296 -0.000) 6.433 2.131 ( 13.389 -8.296 -0.000) 15.751 2.710 ( -6.328 -7.044 0.000) 9.469 2.763 ( 4.337 3.905 -0.000) 5.837 3.499 ( 3.295 -5.874 -0.000) 6.735 3.732 ( 10.655 2.023 -0.000) 10.845 4.049 ( -1.740 5.329 -0.000) 5.606 4.395 ( -9.277 -16.357 0.000) 18.804 4.697 ( 16.108 18.047 -0.000) 24.190 5.091 ( -8.462 17.961 -0.000) 19.855 5.125 ( -4.937 30.880 -0.000) 31.272 5.681 ( 9.788 7.474 -0.000) 12.315 8.787 ( 16.449 9.307 -0.000) 18.899 9.156 ( 11.268 4.695 -0.000) 12.208 10.724 ( -11.585 -2.688 0.000) 11.893 10.875 ( -6.328 -0.118 0.000) 6.329======================= Grid point 252 (146/168) =======================q-point: ( 0.37 0.63 -0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.120 ( 5.822 0.982 -0.000) 5.904 1.453 ( 8.906 -7.461 -0.000) 11.618 1.976 ( 7.166 2.602 -0.000) 7.623 2.346 ( -1.882 2.395 0.000) 3.046 2.702 ( -6.970 -5.498 0.000) 8.878 3.201 ( 24.243 -16.900 -0.000) 29.552 3.671 ( 0.863 -6.160 0.000) 6.220 3.881 ( -2.153 6.908 -0.000) 7.235 3.953 ( 11.852 -0.450 -0.000) 11.861 4.478 ( -4.533 -2.051 0.000) 4.975 4.488 ( 1.932 16.996 -0.000) 17.105 4.692 ( -12.145 -2.336 0.000) 12.368 4.810 ( 18.440 18.063 -0.000) 25.813 5.582 ( -1.047 11.666 -0.000) 11.713 8.990 ( 19.029 5.930 -0.000) 19.931 9.233 ( 5.887 3.925 -0.000) 7.075 10.524 ( -10.560 -0.542 0.000) 10.574 10.651 ( -13.389 1.886 0.000) 13.521======================= Grid point 256 (147/168) =======================q-point: ( 0.27 -0.27 -0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.225 ( 5.145 -0.000 -0.000) 5.145 1.656 ( 3.495 -0.000 -0.000) 3.495 2.103 ( 6.133 -0.000 -0.000) 6.133 2.207 ( -6.973 0.000 0.000) 6.973 2.617 ( -7.524 0.000 0.000) 7.524 3.665 ( -7.193 0.000 0.000) 7.193 3.788 ( 0.010 -0.000 -0.000) 0.010 3.906 ( 23.329 -0.000 -0.000) 23.329 4.199 ( 10.555 -0.000 -0.000) 10.555 4.365 ( -2.741 0.000 0.000) 2.741 4.398 ( 4.003 -0.000 -0.000) 4.003 4.540 ( -14.546 0.000 0.000) 14.546 4.975 ( 18.219 -0.000 -0.000) 18.219 5.281 ( -13.063 0.000 0.000) 13.063 9.282 ( 3.289 -0.000 -0.000) 3.289 9.343 ( 22.005 -0.000 -0.000) 22.005 10.305 ( -17.838 0.000 0.000) 17.838 10.346 ( -7.087 0.000 0.000) 7.087======================= Grid point 259 (148/168) =======================q-point: ( 0.48 0.28 -0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.105 ( -0.000 -1.326 -1.034) 1.681 1.291 ( 0.000 11.628 3.503) 12.144 1.327 ( 0.000 18.899 0.379) 18.903 2.106 ( 0.000 18.276 0.522) 18.283 2.361 ( 0.000 24.180 -0.034) 24.180 2.705 ( -0.000 -7.701 16.178) 17.917 3.114 ( 0.000 4.116 -1.110) 4.263 3.271 ( -0.000 -1.311 -1.228) 1.796 4.047 ( 0.000 4.877 2.921) 5.685 4.466 ( 0.000 4.107 -11.223) 11.951 4.631 ( -0.000 -7.516 -0.373) 7.525 5.124 ( 0.000 5.664 -3.077) 6.446 5.462 ( 0.000 21.299 0.341) 21.301 5.853 ( 0.000 51.441 -13.160) 53.098 8.248 ( -0.000 0.090 1.079) 1.083 8.297 ( 0.000 0.119 -0.874) 0.882 10.941 ( -0.000 -3.052 7.311) 7.923 11.308 ( -0.000 -13.699 -1.590) 13.791======================= Grid point 264 (149/168) =======================q-point: ( 0.38 0.37 -0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.870 ( -3.411 4.901 8.431) 10.331 1.089 ( -0.272 4.599 1.094) 4.735 1.330 ( 11.306 7.764 -1.508) 13.798 1.777 ( 5.637 0.735 -1.051) 5.781 2.220 ( 16.050 16.438 0.942) 22.994 2.834 ( -0.960 -5.525 17.171) 18.063 3.100 ( 4.983 3.914 2.013) 6.648 3.364 ( 5.944 -2.212 0.799) 6.392 3.954 ( -0.983 2.953 -0.345) 3.132 4.400 ( -0.333 2.028 -15.288) 15.426 4.652 ( -3.848 14.655 -0.455) 15.159 4.684 ( -5.039 39.626 -4.818) 40.235 4.915 ( 10.007 8.661 -2.347) 13.441 5.362 ( -2.663 -1.871 0.190) 3.260 8.319 ( 4.398 0.452 -0.931) 4.518 8.472 ( 17.701 1.294 -1.826) 17.842 10.947 ( -4.145 -1.406 9.214) 10.201 11.441 ( -10.359 -8.702 -6.460) 14.992======================= Grid point 267 (150/168) =======================q-point: ( 0.28 0.47 -0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 242Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.933 ( 0.642 -0.000 4.129) 4.179 1.115 ( 12.424 -0.000 0.605) 12.439 1.463 ( 11.971 -0.000 -3.311) 12.421 2.245 ( 7.843 -0.000 1.533) 7.992 2.269 ( 25.340 -0.000 2.193) 25.435 2.841 ( -2.724 -0.000 17.405) 17.616 3.233 ( 14.337 -0.000 0.206) 14.338 3.543 ( 7.873 -0.000 1.248) 7.971 3.905 ( -1.200 0.000 -1.948) 2.288 4.169 ( 2.504 -0.000 1.454) 2.896 4.379 ( 0.153 0.000 -15.465) 15.466 4.489 ( -0.868 0.000 -1.677) 1.888 5.137 ( 12.872 -0.000 -0.830) 12.899 5.266 ( -7.623 0.000 0.584) 7.645 8.429 ( 7.714 -0.000 -0.959) 7.774 8.832 ( 17.358 -0.000 -5.175) 18.113 10.833 ( -8.032 -0.000 10.060) 12.873 11.242 ( -15.392 0.000 -6.345) 16.649======================= Grid point 281 (151/168) =======================q-point: ( 0.70 0.30 -0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.061 ( -0.000 -0.870 0.000) 0.870 1.663 ( 0.000 5.035 -0.000) 5.035 1.933 ( 0.000 9.187 -0.000) 9.187 2.562 ( -0.000 -0.615 0.000) 0.615 2.662 ( -0.000 -6.514 0.000) 6.514 3.178 ( -0.000 -2.222 0.000) 2.222 3.292 ( 0.000 18.964 -0.000) 18.964 3.379 ( 0.000 24.491 -0.000) 24.491 4.184 ( -0.000 -15.081 0.000) 15.081 4.324 ( -0.000 -3.040 0.000) 3.040 4.680 ( 0.000 12.566 -0.000) 12.566 4.690 ( -0.000 -14.068 0.000) 14.068 6.836 ( 0.000 35.164 -0.000) 35.164 7.005 ( 0.000 12.615 -0.000) 12.615 8.247 ( -0.000 -0.494 0.000) 0.494 8.305 ( 0.000 0.533 -0.000) 0.533 10.715 ( -0.000 -11.908 0.000) 11.908 10.933 ( -0.000 -5.983 0.000) 5.983======================= Grid point 287 (152/168) =======================q-point: ( 0.60 0.40 -0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.082 ( 1.281 0.479 -0.000) 1.367 1.410 ( -7.495 12.956 0.000) 14.968 1.776 ( 6.095 9.545 -0.000) 11.325 2.278 ( -13.019 20.518 0.000) 24.300 2.765 ( -1.418 6.312 -0.000) 6.470 2.777 ( -3.828 -8.606 0.000) 9.419 3.260 ( 3.333 -2.695 -0.000) 4.286 3.346 ( 18.303 15.783 -0.000) 24.168 4.216 ( -5.817 -1.768 0.000) 6.080 4.427 ( -2.696 -8.149 0.000) 8.583 4.500 ( 6.038 12.645 -0.000) 14.012 5.087 ( 11.039 -9.475 -0.000) 14.547 6.022 ( -8.230 33.696 -0.000) 34.687 6.335 ( -18.301 30.690 0.000) 35.732 8.371 ( 10.717 3.480 -0.000) 11.268 8.527 ( 19.242 1.954 -0.000) 19.341 10.907 ( -0.575 -7.646 0.000) 7.668 11.015 ( -5.806 -7.524 0.000) 9.503======================= Grid point 291 (153/168) =======================q-point: ( 0.51 0.49 -0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 278Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.033 ( -1.725 3.590 -0.000) 3.983 1.089 ( 0.187 5.984 -0.000) 5.987 1.762 ( 9.168 8.732 -0.000) 12.661 1.907 ( 6.962 0.883 -0.000) 7.017 2.686 ( 4.092 7.448 -0.000) 8.498 2.838 ( -6.284 -8.155 0.000) 10.295 3.415 ( 4.782 -4.671 -0.000) 6.685 3.460 ( 16.546 8.615 -0.000) 18.655 4.089 ( -2.261 5.698 -0.000) 6.130 4.417 ( 10.288 13.011 -0.000) 16.587 4.546 ( -5.625 -11.546 0.000) 12.843 5.269 ( -8.472 16.797 -0.000) 18.813 5.304 ( -12.033 38.188 -0.000) 40.039 5.433 ( 13.517 7.753 -0.000) 15.583 8.505 ( 11.488 5.280 -0.000) 12.644 8.864 ( 17.636 3.452 -0.000) 17.971 10.967 ( -11.978 -5.649 0.000) 13.243 10.968 ( -3.352 -2.342 0.000) 4.090======================= Grid point 297 (154/168) =======================q-point: ( 0.41 0.59 -0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.014 ( 4.095 1.117 -0.000) 4.244 1.251 ( 10.483 -6.959 -0.000) 12.583 1.797 ( 10.486 7.488 -0.000) 12.885 2.299 ( 8.193 -6.344 -0.000) 10.362 2.762 ( 17.245 -4.508 -0.000) 17.824 2.841 ( -6.892 -5.583 0.000) 8.869 3.618 ( 4.070 -6.077 -0.000) 7.314 3.669 ( 16.719 4.515 -0.000) 17.318 3.924 ( -2.000 6.429 -0.000) 6.733 4.393 ( 9.514 11.860 -0.000) 15.205 4.544 ( -2.695 5.089 -0.000) 5.759 4.552 ( 3.763 24.801 -0.000) 25.085 4.932 ( -10.426 -6.539 0.000) 12.307 5.507 ( 7.747 10.076 -0.000) 12.710 8.659 ( 13.643 4.033 -0.000) 14.226 9.078 ( 10.162 3.025 -0.000) 10.603 10.771 ( -13.750 -1.917 0.000) 13.883 10.865 ( -8.126 0.727 0.000) 8.158======================= Grid point 301 (155/168) =======================q-point: ( 0.32 0.68 -0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.109 ( 5.975 -0.000 -0.000) 5.975 1.540 ( 7.845 -0.000 -0.000) 7.845 1.935 ( 10.349 -0.000 -0.000) 10.349 2.319 ( -3.854 0.000 0.000) 3.854 2.762 ( -6.938 0.000 0.000) 6.938 3.400 ( 26.599 -0.000 -0.000) 26.599 3.767 ( 2.198 -0.000 -0.000) 2.198 3.775 ( -4.136 0.000 0.000) 4.136 3.954 ( 14.312 -0.000 -0.000) 14.312 4.319 ( 3.785 -0.000 -0.000) 3.785 4.413 ( -2.035 0.000 0.000) 2.035 4.599 ( 17.758 -0.000 -0.000) 17.758 4.831 ( -13.791 0.000 0.000) 13.791 5.430 ( -1.605 0.000 0.000) 1.605 8.932 ( 18.207 -0.000 -0.000) 18.207 9.193 ( 5.412 -0.000 -0.000) 5.412 10.530 ( -11.075 0.000 0.000) 11.075 10.631 ( -13.809 0.000 0.000) 13.809======================= Grid point 310 (156/168) =======================q-point: ( 0.43 0.33 -0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.946 ( 0.000 16.131 4.097) 16.643 1.078 ( 0.000 9.303 7.158) 11.738 1.199 ( -0.000 -5.547 -1.140) 5.663 1.793 ( 0.000 12.660 -0.114) 12.661 1.959 ( 0.000 15.565 -2.164) 15.715 2.838 ( -0.000 -5.187 14.350) 15.259 3.078 ( -0.000 -1.444 7.856) 7.988 3.292 ( 0.000 -0.765 -0.892) 1.175 3.965 ( 0.000 3.354 -0.296) 3.367 4.405 ( 0.000 1.791 -16.276) 16.374 4.730 ( 0.000 26.096 -3.777) 26.368 4.740 ( -0.000 -3.711 -0.438) 3.737 4.773 ( 0.000 48.857 -6.017) 49.227 5.394 ( -0.000 -2.360 0.248) 2.373 8.246 ( -0.000 0.105 1.289) 1.294 8.296 ( 0.000 0.024 -1.046) 1.047 10.990 ( -0.000 -1.803 8.827) 9.009 11.554 ( -0.000 -10.399 -7.198) 12.647======================= Grid point 313 (157/168) =======================q-point: ( 0.33 0.42 -0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 242Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.878 ( 10.109 -0.000 3.714) 10.770 0.964 ( -2.186 -0.000 9.713) 9.956 1.282 ( 4.277 0.000 -4.500) 6.208 1.833 ( 16.411 -0.000 0.696) 16.426 1.995 ( 14.799 -0.000 -0.927) 14.828 2.892 ( -0.960 -0.000 16.999) 17.026 3.079 ( -0.219 -0.000 4.316) 4.321 3.400 ( 6.754 -0.000 0.701) 6.790 3.923 ( -0.600 0.000 -1.517) 1.631 4.129 ( 1.357 -0.000 1.394) 1.946 4.389 ( -0.800 0.000 -18.444) 18.462 4.502 ( -0.416 0.000 -1.718) 1.767 4.890 ( 10.270 -0.000 -0.916) 10.311 5.382 ( -3.859 0.000 0.515) 3.893 8.315 ( 3.896 -0.000 -0.909) 4.001 8.459 ( 16.959 -0.000 -1.654) 17.040 10.961 ( -4.517 -0.000 9.599) 10.609 11.533 ( -12.015 0.000 -8.776) 14.879======================= Grid point 333 (158/168) =======================q-point: ( 0.65 0.35 -0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.066 ( -0.000 -0.051 0.000) 0.051 1.521 ( 0.000 9.077 -0.000) 9.077 1.679 ( 0.000 16.119 -0.000) 16.119 2.445 ( 0.000 13.377 -0.000) 13.377 2.821 ( -0.000 -9.442 0.000) 9.442 2.876 ( 0.000 26.669 -0.000) 26.669 3.027 ( 0.000 7.075 -0.000) 7.075 3.221 ( -0.000 -2.113 0.000) 2.113 4.293 ( 0.000 4.792 -0.000) 4.792 4.443 ( -0.000 -11.343 0.000) 11.343 4.444 ( 0.000 11.203 -0.000) 11.203 4.964 ( -0.000 -12.351 0.000) 12.351 6.113 ( 0.000 37.662 -0.000) 37.662 6.558 ( 0.000 33.144 -0.000) 33.144 8.256 ( -0.000 -0.401 0.000) 0.401 8.294 ( 0.000 0.563 -0.000) 0.563 10.913 ( -0.000 -8.208 0.000) 8.208 11.077 ( -0.000 -8.664 0.000) 8.664======================= Grid point 337 (159/168) =======================q-point: ( 0.55 0.45 -0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 278Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.076 ( -1.357 -0.036 0.000) 1.357 1.154 ( -6.443 12.365 -0.000) 13.943 1.553 ( 11.127 12.715 -0.000) 16.897 1.913 ( -8.104 14.684 0.000) 16.771 2.564 ( 9.290 14.927 -0.000) 17.582 2.958 ( -5.239 -9.384 0.000) 10.747 3.116 ( 14.778 7.480 -0.000) 16.563 3.316 ( 4.632 -3.228 -0.000) 5.645 4.136 ( -2.232 7.017 -0.000) 7.364 4.286 ( 3.314 8.884 -0.000) 9.482 4.619 ( -1.555 -8.434 0.000) 8.576 5.188 ( 9.267 5.345 -0.000) 10.698 5.413 ( -5.258 20.398 -0.000) 21.065 5.574 ( -13.014 46.067 -0.000) 47.869 8.326 ( 6.118 1.375 -0.000) 6.271 8.487 ( 17.430 1.934 -0.000) 17.537 11.020 ( -1.814 -4.151 0.000) 4.530 11.178 ( -8.150 -8.798 0.000) 11.993======================= Grid point 343 (160/168) =======================q-point: ( 0.46 0.54 -0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.985 ( -1.896 0.985 0.000) 2.136 1.058 ( 7.833 -2.668 -0.000) 8.275 1.561 ( 12.551 10.810 -0.000) 16.564 2.018 ( 16.423 -11.016 -0.000) 19.775 2.513 ( 10.546 10.187 -0.000) 14.663 2.980 ( -6.838 -5.653 0.000) 8.873 3.302 ( 17.838 6.805 -0.000) 19.091 3.517 ( 5.750 -5.525 -0.000) 7.974 3.961 ( -1.684 6.426 -0.000) 6.643 4.226 ( 5.563 6.265 -0.000) 8.378 4.563 ( -3.126 33.596 -0.000) 33.741 4.595 ( -2.387 8.170 -0.000) 8.511 5.052 ( 1.361 -1.357 -0.000) 1.922 5.348 ( 4.286 4.568 -0.000) 6.264 8.437 ( 8.524 1.979 -0.000) 8.751 8.806 ( 16.603 2.217 -0.000) 16.750 10.995 ( -5.155 -0.714 0.000) 5.205 11.066 ( -14.932 -4.095 0.000) 15.484======================= Grid point 347 (161/168) =======================q-point: ( 0.36 0.64 -0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.003 ( 3.895 -0.000 -0.000) 3.895 1.349 ( 10.771 -0.000 -0.000) 10.771 1.694 ( 13.200 -0.000 -0.000) 13.200 2.354 ( 0.743 -0.000 -0.000) 0.743 2.845 ( 27.995 -0.000 -0.000) 27.995 2.900 ( -6.798 0.000 0.000) 6.798 3.606 ( 19.547 -0.000 -0.000) 19.547 3.698 ( 4.543 -0.000 -0.000) 4.543 3.842 ( -2.601 0.000 0.000) 2.601 4.246 ( 3.376 -0.000 -0.000) 3.376 4.310 ( 10.340 -0.000 -0.000) 10.340 4.447 ( -1.396 0.000 0.000) 1.396 5.084 ( -11.031 0.000 0.000) 11.031 5.356 ( 8.330 -0.000 -0.000) 8.330 8.621 ( 12.600 -0.000 -0.000) 12.600 9.047 ( 9.740 -0.000 -0.000) 9.740 10.791 ( -14.672 0.000 0.000) 14.672 10.856 ( -8.811 0.000 0.000) 8.811======================= Grid point 360 (162/168) =======================q-point: ( 0.38 0.38 -0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.762 ( -0.000 -0.000 6.423) 6.423 0.976 ( -0.000 -0.000 9.741) 9.741 1.280 ( 0.000 0.000 -0.599) 0.599 1.659 ( 0.000 0.000 -0.397) 0.397 1.800 ( 0.000 0.000 -3.489) 3.489 2.890 ( -0.000 -0.000 12.216) 12.216 3.137 ( -0.000 -0.000 10.262) 10.262 3.300 ( 0.000 0.000 -0.807) 0.807 3.929 ( 0.000 0.000 -1.400) 1.400 4.115 ( -0.000 -0.000 1.374) 1.374 4.400 ( 0.000 0.000 -19.292) 19.292 4.506 ( 0.000 0.000 -1.733) 1.733 4.776 ( 0.000 0.000 -0.459) 0.459 5.421 ( -0.000 -0.000 0.496) 0.496 8.244 ( -0.000 -0.000 1.346) 1.346 8.296 ( 0.000 0.000 -1.090) 1.090 11.008 ( -0.000 -0.000 9.248) 9.248 11.665 ( 0.000 0.000 -10.194) 10.194======================= Grid point 384 (163/168) =======================q-point: ( 0.60 0.40 -0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.084 ( -0.000 -2.408 0.000) 2.408 1.329 ( 0.000 10.068 -0.000) 10.068 1.332 ( 0.000 18.690 -0.000) 18.690 2.111 ( 0.000 18.347 -0.000) 18.347 2.361 ( 0.000 25.268 -0.000) 25.268 2.963 ( 0.000 1.219 -0.000) 1.219 3.022 ( -0.000 -10.899 0.000) 10.899 3.258 ( -0.000 -1.626 0.000) 1.626 4.163 ( 0.000 8.040 -0.000) 8.040 4.257 ( 0.000 7.735 -0.000) 7.735 4.627 ( -0.000 -7.466 0.000) 7.466 5.093 ( 0.000 5.430 -0.000) 5.430 5.468 ( 0.000 20.960 -0.000) 20.960 5.728 ( 0.000 50.453 -0.000) 50.453 8.263 ( -0.000 -0.295 0.000) 0.295 8.284 ( 0.000 0.477 -0.000) 0.477 11.039 ( -0.000 -4.865 0.000) 4.865 11.265 ( -0.000 -10.228 0.000) 10.228======================= Grid point 390 (164/168) =======================q-point: ( 0.50 0.50 -0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.966 ( 0.872 6.023 -0.000) 6.086 1.088 ( -6.984 -1.220 0.000) 7.090 1.310 ( 11.678 11.154 -0.000) 16.149 1.764 ( 6.258 0.056 -0.000) 6.258 2.231 ( 17.638 17.398 -0.000) 24.775 3.032 ( 7.955 1.483 -0.000) 8.092 3.117 ( -6.731 -6.082 0.000) 9.072 3.393 ( 6.361 -4.709 -0.000) 7.914 3.990 ( -1.131 7.099 -0.000) 7.188 4.160 ( 1.535 4.059 -0.000) 4.340 4.644 ( -2.671 10.335 -0.000) 10.675 4.651 ( -4.738 43.384 -0.000) 43.642 4.890 ( 10.402 5.620 -0.000) 11.823 5.365 ( -2.765 -2.123 0.000) 3.486 8.309 ( 4.160 0.427 -0.000) 4.182 8.456 ( 15.785 1.134 -0.000) 15.826 11.078 ( -2.985 -1.952 0.000) 3.567 11.335 ( -10.547 -6.510 0.000) 12.394======================= Grid point 394 (165/168) =======================q-point: ( 0.41 0.59 -0.41)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 158Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.981 ( -2.421 0.000 0.000) 2.421 1.121 ( 11.371 -0.000 -0.000) 11.371 1.420 ( 13.437 -0.000 -0.000) 13.437 2.261 ( 9.295 -0.000 -0.000) 9.295 2.293 ( 25.978 -0.000 -0.000) 25.978 3.038 ( -6.847 0.000 0.000) 6.847 3.233 ( 15.328 -0.000 -0.000) 15.328 3.589 ( 6.123 -0.000 -0.000) 6.123 3.883 ( -1.561 0.000 0.000) 1.561 4.172 ( 3.876 -0.000 -0.000) 3.876 4.186 ( 2.559 -0.000 -0.000) 2.559 4.470 ( -0.856 0.000 0.000) 0.856 5.129 ( 13.099 -0.000 -0.000) 13.099 5.272 ( -7.570 0.000 0.000) 7.570 8.418 ( 7.641 -0.000 -0.000) 7.641 8.784 ( 16.160 -0.000 -0.000) 16.160 11.002 ( -5.886 0.000 0.000) 5.886 11.109 ( -16.229 0.000 0.000) 16.229======================= Grid point 438 (166/168) =======================q-point: ( 0.55 0.45 -0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.990 ( 0.000 14.769 -0.000) 14.769 1.155 ( 0.000 6.972 -0.000) 6.972 1.173 ( -0.000 -6.288 0.000) 6.288 1.793 ( 0.000 13.001 -0.000) 13.001 1.934 ( 0.000 16.937 -0.000) 16.937 2.960 ( -0.000 -1.109 0.000) 1.109 3.231 ( -0.000 -9.809 0.000) 9.809 3.283 ( -0.000 -0.865 0.000) 0.865 4.002 ( 0.000 7.612 -0.000) 7.612 4.147 ( 0.000 3.527 -0.000) 3.527 4.709 ( 0.000 48.464 -0.000) 48.464 4.709 ( 0.000 20.990 -0.000) 20.990 4.735 ( -0.000 -3.688 0.000) 3.688 5.397 ( -0.000 -2.567 0.000) 2.567 8.268 ( -0.000 -0.160 0.000) 0.160 8.277 ( 0.000 0.274 -0.000) 0.274 11.109 ( -0.000 -2.442 0.000) 2.442 11.449 ( -0.000 -7.635 0.000) 7.635======================= Grid point 442 (167/168) =======================q-point: ( 0.45 0.55 -0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.917 ( 8.063 -0.000 -0.000) 8.063 1.108 ( -9.488 0.000 0.000) 9.488 1.182 ( 9.231 -0.000 -0.000) 9.231 1.841 ( 17.334 -0.000 -0.000) 17.334 1.984 ( 16.322 -0.000 -0.000) 16.322 3.032 ( 5.046 -0.000 -0.000) 5.046 3.176 ( -6.810 0.000 0.000) 6.810 3.459 ( 6.604 -0.000 -0.000) 6.604 3.906 ( -0.732 0.000 0.000) 0.732 4.134 ( 0.399 -0.000 -0.000) 0.399 4.146 ( 1.382 -0.000 -0.000) 1.382 4.482 ( -0.405 0.000 0.000) 0.405 4.881 ( 10.079 -0.000 -0.000) 10.079 5.387 ( -3.837 0.000 0.000) 3.837 8.306 ( 3.645 -0.000 -0.000) 3.645 8.445 ( 15.140 -0.000 -0.000) 15.140 11.097 ( -3.463 0.000 0.000) 3.463 11.404 ( -11.627 0.000 0.000) 11.627======================= Grid point 491 (168/168) =======================q-point: (-0.50 -0.50 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 1.46e-03 1.46e-03 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.829 ( -0.000 -0.000 0.000) 0.000 1.083 ( 0.000 0.000 0.000) 0.000 1.258 ( 0.000 -0.000 0.000) 0.000 1.655 ( -0.000 -0.000 0.000) 0.000 1.758 ( 0.000 0.000 0.000) 0.000 2.988 ( -0.000 -0.000 0.000) 0.000 3.291 ( 0.000 0.000 0.000) 0.000 3.346 ( -0.000 0.000 0.000) 0.000 3.913 ( -0.000 -0.000 0.000) 0.000 4.131 ( -0.000 0.000 0.000) 0.000 4.134 ( -0.000 -0.000 0.000) 0.000 4.486 ( -0.000 0.000 0.000) 0.000 4.771 ( 0.000 0.000 0.000) 0.000 5.426 ( -0.000 0.000 0.000) 0.000 8.269 ( 0.000 0.000 -0.000) 0.000 8.274 ( 0.000 0.000 0.000) 0.000 11.134 ( -0.000 -0.000 0.000) 0.000 11.529 ( -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 3/15840 10.0 57.731 74.678 45.897 -0.000 -0.000 0.000 3/15840 20.0 16.477 19.095 9.818 -0.000 -0.000 0.000 3/15840 30.0 8.495 9.300 4.386 -0.000 -0.000 0.000 3/15840 40.0 5.580 5.914 2.642 -0.000 -0.000 0.000 3/15840 50.0 4.181 4.366 1.859 -0.000 -0.000 0.000 3/15840 60.0 3.381 3.513 1.433 -0.000 -0.000 0.000 3/15840 70.0 2.863 2.973 1.171 -0.000 -0.000 0.000 3/15840 80.0 2.499 2.595 0.993 -0.000 -0.000 0.000 3/15840 90.0 2.226 2.311 0.866 -0.000 -0.000 0.000 3/15840 100.0 2.012 2.088 0.769 -0.000 -0.000 0.000 3/15840 110.0 1.840 1.907 0.694 -0.000 -0.000 0.000 3/15840 120.0 1.697 1.756 0.633 -0.000 -0.000 0.000 3/15840 130.0 1.576 1.628 0.582 -0.000 -0.000 0.000 3/15840 140.0 1.472 1.518 0.540 -0.000 -0.000 0.000 3/15840 150.0 1.382 1.422 0.504 -0.000 -0.000 0.000 3/15840 160.0 1.302 1.338 0.473 -0.000 -0.000 0.000 3/15840 170.0 1.232 1.263 0.445 -0.000 -0.000 0.000 3/15840 180.0 1.168 1.196 0.421 -0.000 -0.000 0.000 3/15840 190.0 1.112 1.136 0.399 -0.000 -0.000 0.000 3/15840 200.0 1.060 1.082 0.380 -0.000 -0.000 0.000 3/15840 210.0 1.013 1.032 0.362 -0.000 -0.000 0.000 3/15840 220.0 0.970 0.987 0.346 -0.000 -0.000 0.000 3/15840 230.0 0.931 0.946 0.332 -0.000 -0.000 0.000 3/15840 240.0 0.894 0.908 0.318 -0.000 -0.000 0.000 3/15840 250.0 0.860 0.873 0.306 -0.000 -0.000 0.000 3/15840 260.0 0.829 0.840 0.295 -0.000 -0.000 0.000 3/15840 270.0 0.800 0.810 0.284 -0.000 -0.000 0.000 3/15840 280.0 0.773 0.782 0.274 -0.000 -0.000 0.000 3/15840 290.0 0.748 0.756 0.265 -0.000 -0.000 0.000 3/15840 300.0 0.724 0.732 0.257 -0.000 -0.000 0.000 3/15840 310.0 0.702 0.709 0.248 -0.000 -0.000 0.000 3/15840 320.0 0.681 0.687 0.241 -0.000 -0.000 0.000 3/15840 330.0 0.661 0.667 0.234 -0.000 -0.000 0.000 3/15840 340.0 0.642 0.648 0.227 -0.000 -0.000 0.000 3/15840 350.0 0.625 0.629 0.221 -0.000 -0.000 0.000 3/15840 360.0 0.608 0.612 0.215 -0.000 -0.000 0.000 3/15840 370.0 0.592 0.596 0.209 -0.000 -0.000 0.000 3/15840 380.0 0.577 0.581 0.204 -0.000 -0.000 0.000 3/15840 390.0 0.563 0.566 0.199 -0.000 -0.000 0.000 3/15840 400.0 0.549 0.552 0.194 -0.000 -0.000 0.000 3/15840 410.0 0.536 0.539 0.189 -0.000 -0.000 0.000 3/15840 420.0 0.524 0.527 0.185 -0.000 -0.000 0.000 3/15840 430.0 0.512 0.514 0.181 -0.000 -0.000 0.000 3/15840 440.0 0.501 0.503 0.177 -0.000 -0.000 0.000 3/15840 450.0 0.490 0.492 0.173 -0.000 -0.000 0.000 3/15840 460.0 0.480 0.481 0.169 -0.000 -0.000 0.000 3/15840 470.0 0.470 0.471 0.166 -0.000 -0.000 0.000 3/15840 480.0 0.460 0.462 0.162 -0.000 -0.000 0.000 3/15840 490.0 0.451 0.452 0.159 -0.000 -0.000 0.000 3/15840 500.0 0.442 0.443 0.156 -0.000 -0.000 0.000 3/15840 510.0 0.434 0.435 0.153 -0.000 -0.000 0.000 3/15840 520.0 0.426 0.427 0.150 -0.000 -0.000 0.000 3/15840 530.0 0.418 0.419 0.147 -0.000 -0.000 0.000 3/15840 540.0 0.410 0.411 0.145 -0.000 -0.000 0.000 3/15840 550.0 0.403 0.404 0.142 -0.000 -0.000 0.000 3/15840 560.0 0.396 0.397 0.140 -0.000 -0.000 0.000 3/15840 570.0 0.389 0.390 0.137 -0.000 -0.000 0.000 3/15840 580.0 0.383 0.383 0.135 -0.000 -0.000 0.000 3/15840 590.0 0.376 0.377 0.133 -0.000 -0.000 0.000 3/15840 600.0 0.370 0.370 0.131 -0.000 -0.000 0.000 3/15840 610.0 0.364 0.364 0.128 -0.000 -0.000 0.000 3/15840 620.0 0.358 0.359 0.126 -0.000 -0.000 0.000 3/15840 630.0 0.353 0.353 0.124 -0.000 -0.000 0.000 3/15840 640.0 0.347 0.348 0.122 -0.000 -0.000 0.000 3/15840 650.0 0.342 0.342 0.121 -0.000 -0.000 0.000 3/15840 660.0 0.337 0.337 0.119 -0.000 -0.000 0.000 3/15840 670.0 0.332 0.332 0.117 -0.000 -0.000 0.000 3/15840 680.0 0.327 0.327 0.115 -0.000 -0.000 0.000 3/15840 690.0 0.323 0.323 0.114 -0.000 -0.000 0.000 3/15840 700.0 0.318 0.318 0.112 -0.000 -0.000 0.000 3/15840 710.0 0.314 0.314 0.111 -0.000 -0.000 0.000 3/15840 720.0 0.309 0.309 0.109 -0.000 -0.000 0.000 3/15840 730.0 0.305 0.305 0.108 -0.000 -0.000 0.000 3/15840 740.0 0.301 0.301 0.106 -0.000 -0.000 0.000 3/15840 750.0 0.297 0.297 0.105 -0.000 -0.000 0.000 3/15840 760.0 0.293 0.293 0.103 -0.000 -0.000 0.000 3/15840 770.0 0.289 0.289 0.102 -0.000 -0.000 0.000 3/15840 780.0 0.286 0.286 0.101 -0.000 -0.000 0.000 3/15840 790.0 0.282 0.282 0.100 -0.000 -0.000 0.000 3/15840 800.0 0.279 0.279 0.098 -0.000 -0.000 0.000 3/15840 810.0 0.275 0.275 0.097 -0.000 -0.000 0.000 3/15840 820.0 0.272 0.272 0.096 -0.000 -0.000 0.000 3/15840 830.0 0.269 0.269 0.095 -0.000 -0.000 0.000 3/15840 840.0 0.266 0.265 0.094 -0.000 -0.000 0.000 3/15840 850.0 0.263 0.262 0.093 -0.000 -0.000 0.000 3/15840 860.0 0.260 0.259 0.092 -0.000 -0.000 0.000 3/15840 870.0 0.257 0.256 0.091 -0.000 -0.000 0.000 3/15840 880.0 0.254 0.253 0.089 -0.000 -0.000 0.000 3/15840 890.0 0.251 0.251 0.088 -0.000 -0.000 0.000 3/15840 900.0 0.248 0.248 0.088 -0.000 -0.000 0.000 3/15840 910.0 0.245 0.245 0.087 -0.000 -0.000 0.000 3/15840 920.0 0.243 0.242 0.086 -0.000 -0.000 0.000 3/15840 930.0 0.240 0.240 0.085 -0.000 -0.000 0.000 3/15840 940.0 0.238 0.237 0.084 -0.000 -0.000 0.000 3/15840 950.0 0.235 0.235 0.083 -0.000 -0.000 0.000 3/15840 960.0 0.233 0.232 0.082 -0.000 -0.000 0.000 3/15840 970.0 0.230 0.230 0.081 -0.000 -0.000 0.000 3/15840 980.0 0.228 0.228 0.080 -0.000 -0.000 0.000 3/15840 990.0 0.226 0.225 0.080 -0.000 -0.000 0.000 3/15840 1000.0 0.224 0.223 0.079 -0.000 -0.000 0.000 3/15840Thermal conductivity related properties were written into "kappa-m12440.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 18:28:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|