# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/e654a499-f976-4486-b31c-6ca65c247c1e/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 RbSmS2 / R-3m (166) / materials id 9364](https://mdr.nims.go.jp/datasets/34c1e315-65d7-4abb-b967-37c675f9bbf6) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 23:18:33]-------------------------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: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)Number of symmetry operations in supercell: 324------------------------------ primitive cell ------------------------------Lattice vectors: a 2.056482042904243 1.187310461054394 7.599543469999992 b -2.056482042904239 1.187310461054394 7.599543469999992 c 0.000000000000002 -2.374620922108791 7.599543469999992Atomic positions (fractional): *1 S 0.76800931519611 0.76800931519611 0.76800931519611 32.065 2 S 0.23199068480389 0.23199068480389 0.23199068480389 32.065 *3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 *4 Sm 0.50000000000000 0.50000000000000 0.50000000000000 150.360-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.112964085808482 0.000000000000000 0.000000000000000 b -2.056482042904241 3.561931383163185 0.000000000000000 c 0.000000000000000 0.000000000000000 22.798630410000001Atomic positions (fractional): *1 S 0.66666666666667 0.33333333333333 0.10134264852945 32.065 > 1 2 S 0.00000000000000 0.00000000000000 0.23199068480389 32.065 > 2 3 S 0.33333333333333 0.66666666666667 0.43467598186278 32.065 > 1 4 S 0.66666666666667 0.33333333333333 0.56532401813722 32.065 > 2 5 S 0.00000000000000 0.00000000000000 0.76800931519611 32.065 > 1 6 S 0.33333333333333 0.66666666666667 0.89865735147055 32.065 > 2 *7 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 8 Rb 0.66666666666667 0.33333333333333 0.33333333333333 85.468 > 3 9 Rb 0.33333333333333 0.66666666666667 0.66666666666667 85.468 > 3 *10 Sm 0.33333333333333 0.66666666666667 0.16666666666667 150.360 > 4 11 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 > 4 12 Sm 0.66666666666667 0.33333333333333 0.83333333333333 150.360 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 12.338892257425446 0.000000000000000 0.000000000000000 b -6.169446128712723 10.685794149489556 0.000000000000000 c 0.000000000000000 0.000000000000000 22.798630410000001Atomic positions (fractional): *1 S 0.22222222222222 0.11111111111111 0.10134264852945 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.10134264852945 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.10134264852945 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.10134264852945 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.10134264852945 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.10134264852945 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.10134264852945 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.10134264852945 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.10134264852945 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.23199068480389 32.065 > 2 11 S 0.33333333333333 0.00000000000000 0.23199068480389 32.065 > 2 12 S 0.66666666666667 0.00000000000000 0.23199068480389 32.065 > 2 13 S 0.00000000000000 0.33333333333333 0.23199068480389 32.065 > 2 14 S 0.33333333333333 0.33333333333333 0.23199068480389 32.065 > 2 15 S 0.66666666666667 0.33333333333333 0.23199068480389 32.065 > 2 16 S 0.00000000000000 0.66666666666667 0.23199068480389 32.065 > 2 17 S 0.33333333333333 0.66666666666667 0.23199068480389 32.065 > 2 18 S 0.66666666666667 0.66666666666667 0.23199068480389 32.065 > 2 19 S 0.11111111111111 0.22222222222222 0.43467598186278 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.43467598186278 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.43467598186278 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.43467598186278 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.43467598186278 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.43467598186278 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.43467598186278 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.43467598186278 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.43467598186278 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.56532401813722 32.065 > 2 29 S 0.55555555555556 0.11111111111111 0.56532401813722 32.065 > 2 30 S 0.88888888888889 0.11111111111111 0.56532401813722 32.065 > 2 31 S 0.22222222222222 0.44444444444444 0.56532401813722 32.065 > 2 32 S 0.55555555555556 0.44444444444444 0.56532401813722 32.065 > 2 33 S 0.88888888888889 0.44444444444444 0.56532401813722 32.065 > 2 34 S 0.22222222222222 0.77777777777778 0.56532401813722 32.065 > 2 35 S 0.55555555555556 0.77777777777778 0.56532401813722 32.065 > 2 36 S 0.88888888888889 0.77777777777778 0.56532401813722 32.065 > 2 37 S 0.00000000000000 0.00000000000000 0.76800931519611 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.76800931519611 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.76800931519611 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.76800931519611 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.76800931519611 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.76800931519611 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.76800931519611 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.76800931519611 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.76800931519611 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.89865735147055 32.065 > 2 47 S 0.44444444444444 0.22222222222222 0.89865735147055 32.065 > 2 48 S 0.77777777777778 0.22222222222222 0.89865735147055 32.065 > 2 49 S 0.11111111111111 0.55555555555556 0.89865735147055 32.065 > 2 50 S 0.44444444444444 0.55555555555556 0.89865735147055 32.065 > 2 51 S 0.77777777777778 0.55555555555556 0.89865735147055 32.065 > 2 52 S 0.11111111111111 0.88888888888889 0.89865735147055 32.065 > 2 53 S 0.44444444444444 0.88888888888889 0.89865735147055 32.065 > 2 54 S 0.77777777777778 0.88888888888889 0.89865735147055 32.065 > 2 *55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 3 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 3 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 3 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 3 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 3 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 3 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 3 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 3 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 3 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 3 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 3 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 3 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 3 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 3 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 3 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 3 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 3 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 3 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 3 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 3 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 3 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 3 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 3 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 3 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 3 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 3 *82 Sm 0.11111111111111 0.22222222222222 0.16666666666667 150.360 > 4 83 Sm 0.44444444444444 0.22222222222222 0.16666666666667 150.360 > 4 84 Sm 0.77777777777778 0.22222222222222 0.16666666666667 150.360 > 4 85 Sm 0.11111111111111 0.55555555555556 0.16666666666667 150.360 > 4 86 Sm 0.44444444444444 0.55555555555556 0.16666666666667 150.360 > 4 87 Sm 0.77777777777778 0.55555555555556 0.16666666666667 150.360 > 4 88 Sm 0.11111111111111 0.88888888888889 0.16666666666667 150.360 > 4 89 Sm 0.44444444444444 0.88888888888889 0.16666666666667 150.360 > 4 90 Sm 0.77777777777778 0.88888888888889 0.16666666666667 150.360 > 4 91 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 > 4 92 Sm 0.33333333333333 0.00000000000000 0.50000000000000 150.360 > 4 93 Sm 0.66666666666667 0.00000000000000 0.50000000000000 150.360 > 4 94 Sm 0.00000000000000 0.33333333333333 0.50000000000000 150.360 > 4 95 Sm 0.33333333333333 0.33333333333333 0.50000000000000 150.360 > 4 96 Sm 0.66666666666667 0.33333333333333 0.50000000000000 150.360 > 4 97 Sm 0.00000000000000 0.66666666666667 0.50000000000000 150.360 > 4 98 Sm 0.33333333333333 0.66666666666667 0.50000000000000 150.360 > 4 99 Sm 0.66666666666667 0.66666666666667 0.50000000000000 150.360 > 4 100 Sm 0.22222222222222 0.11111111111111 0.83333333333333 150.360 > 4 101 Sm 0.55555555555556 0.11111111111111 0.83333333333333 150.360 > 4 102 Sm 0.88888888888889 0.11111111111111 0.83333333333333 150.360 > 4 103 Sm 0.22222222222222 0.44444444444444 0.83333333333333 150.360 > 4 104 Sm 0.55555555555556 0.44444444444444 0.83333333333333 150.360 > 4 105 Sm 0.88888888888889 0.44444444444444 0.83333333333333 150.360 > 4 106 Sm 0.22222222222222 0.77777777777778 0.83333333333333 150.360 > 4 107 Sm 0.55555555555556 0.77777777777778 0.83333333333333 150.360 > 4 108 Sm 0.88888888888889 0.77777777777778 0.83333333333333 150.360 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.6571702 0.0000000 0.0000000 0.0000000 5.6571702 0.0000000 0.0000000 0.0000000 4.2745762-------------------------- Born effective charges -------------------------- 1 S -2.8157217 0.0000000 0.0000000 0.0000000 -2.8157217 0.0000000 0.0000000 0.0000000 -1.9054807 2 S -2.8157217 0.0000000 0.0000000 0.0000000 -2.8157217 0.0000000 0.0000000 0.0000000 -1.9054807 3 Rb 1.0531681 -0.0000000 0.0000000 0.0000000 1.0531681 0.0000000 0.0000000 0.0000000 1.8809486 4 Sm 4.5782754 -0.0000000 0.0000000 0.0000000 4.5782754 0.0000000 0.0000000 0.0000000 1.9300128----------------------------------------------------------------------------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: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 192Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: True-----Solver_atoms: 1 -- 108 / 108Time (Solver_compr_matrix_reshape): 0.006Solver_block: 80 / 80 - Time: 0.112Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.119--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 192Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), 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 2026-01-07 23:18:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:18:37]-------------------------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: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.056482042904243 1.187310461054394 7.599543469999992 b -2.056482042904239 1.187310461054394 7.599543469999992 c 0.000000000000002 -2.374620922108791 7.599543469999992Atomic positions (fractional): 1 S 0.76800931519611 0.76800931519611 0.76800931519611 32.065 2 S 0.23199068480389 0.23199068480389 0.23199068480389 32.065 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Sm 0.50000000000000 0.50000000000000 0.50000000000000 150.360-------------------------------- supercell ---------------------------------Lattice vectors: a 12.338892257425446 0.000000000000000 0.000000000000000 b -6.169446128712723 10.685794149489556 0.000000000000000 c 0.000000000000000 0.000000000000000 22.798630410000001Atomic positions (fractional): 1 S 0.22222222222222 0.11111111111111 0.10134264852945 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.10134264852945 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.10134264852945 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.10134264852945 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.10134264852945 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.10134264852945 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.10134264852945 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.10134264852945 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.10134264852945 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.23199068480389 32.065 > 10 11 S 0.33333333333333 0.00000000000000 0.23199068480389 32.065 > 10 12 S 0.66666666666667 0.00000000000000 0.23199068480389 32.065 > 10 13 S 0.00000000000000 0.33333333333333 0.23199068480389 32.065 > 10 14 S 0.33333333333333 0.33333333333333 0.23199068480389 32.065 > 10 15 S 0.66666666666667 0.33333333333333 0.23199068480389 32.065 > 10 16 S 0.00000000000000 0.66666666666667 0.23199068480389 32.065 > 10 17 S 0.33333333333333 0.66666666666667 0.23199068480389 32.065 > 10 18 S 0.66666666666667 0.66666666666667 0.23199068480389 32.065 > 10 19 S 0.11111111111111 0.22222222222222 0.43467598186278 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.43467598186278 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.43467598186278 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.43467598186278 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.43467598186278 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.43467598186278 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.43467598186278 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.43467598186278 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.43467598186278 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.56532401813722 32.065 > 10 29 S 0.55555555555556 0.11111111111111 0.56532401813722 32.065 > 10 30 S 0.88888888888889 0.11111111111111 0.56532401813722 32.065 > 10 31 S 0.22222222222222 0.44444444444444 0.56532401813722 32.065 > 10 32 S 0.55555555555556 0.44444444444444 0.56532401813722 32.065 > 10 33 S 0.88888888888889 0.44444444444444 0.56532401813722 32.065 > 10 34 S 0.22222222222222 0.77777777777778 0.56532401813722 32.065 > 10 35 S 0.55555555555556 0.77777777777778 0.56532401813722 32.065 > 10 36 S 0.88888888888889 0.77777777777778 0.56532401813722 32.065 > 10 37 S 0.00000000000000 0.00000000000000 0.76800931519611 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.76800931519611 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.76800931519611 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.76800931519611 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.76800931519611 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.76800931519611 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.76800931519611 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.76800931519611 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.76800931519611 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.89865735147055 32.065 > 10 47 S 0.44444444444444 0.22222222222222 0.89865735147055 32.065 > 10 48 S 0.77777777777778 0.22222222222222 0.89865735147055 32.065 > 10 49 S 0.11111111111111 0.55555555555556 0.89865735147055 32.065 > 10 50 S 0.44444444444444 0.55555555555556 0.89865735147055 32.065 > 10 51 S 0.77777777777778 0.55555555555556 0.89865735147055 32.065 > 10 52 S 0.11111111111111 0.88888888888889 0.89865735147055 32.065 > 10 53 S 0.44444444444444 0.88888888888889 0.89865735147055 32.065 > 10 54 S 0.77777777777778 0.88888888888889 0.89865735147055 32.065 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Sm 0.11111111111111 0.22222222222222 0.16666666666667 150.360 > 82 83 Sm 0.44444444444444 0.22222222222222 0.16666666666667 150.360 > 82 84 Sm 0.77777777777778 0.22222222222222 0.16666666666667 150.360 > 82 85 Sm 0.11111111111111 0.55555555555556 0.16666666666667 150.360 > 82 86 Sm 0.44444444444444 0.55555555555556 0.16666666666667 150.360 > 82 87 Sm 0.77777777777778 0.55555555555556 0.16666666666667 150.360 > 82 88 Sm 0.11111111111111 0.88888888888889 0.16666666666667 150.360 > 82 89 Sm 0.44444444444444 0.88888888888889 0.16666666666667 150.360 > 82 90 Sm 0.77777777777778 0.88888888888889 0.16666666666667 150.360 > 82 91 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 > 82 92 Sm 0.33333333333333 0.00000000000000 0.50000000000000 150.360 > 82 93 Sm 0.66666666666667 0.00000000000000 0.50000000000000 150.360 > 82 94 Sm 0.00000000000000 0.33333333333333 0.50000000000000 150.360 > 82 95 Sm 0.33333333333333 0.33333333333333 0.50000000000000 150.360 > 82 96 Sm 0.66666666666667 0.33333333333333 0.50000000000000 150.360 > 82 97 Sm 0.00000000000000 0.66666666666667 0.50000000000000 150.360 > 82 98 Sm 0.33333333333333 0.66666666666667 0.50000000000000 150.360 > 82 99 Sm 0.66666666666667 0.66666666666667 0.50000000000000 150.360 > 82 100 Sm 0.22222222222222 0.11111111111111 0.83333333333333 150.360 > 82 101 Sm 0.55555555555556 0.11111111111111 0.83333333333333 150.360 > 82 102 Sm 0.88888888888889 0.11111111111111 0.83333333333333 150.360 > 82 103 Sm 0.22222222222222 0.44444444444444 0.83333333333333 150.360 > 82 104 Sm 0.55555555555556 0.44444444444444 0.83333333333333 150.360 > 82 105 Sm 0.88888888888889 0.44444444444444 0.83333333333333 150.360 > 82 106 Sm 0.22222222222222 0.77777777777778 0.83333333333333 150.360 > 82 107 Sm 0.55555555555556 0.77777777777778 0.83333333333333 150.360 > 82 108 Sm 0.88888888888889 0.77777777777778 0.83333333333333 150.360 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.6571702 0.0000000 0.0000000 0.0000000 5.6571702 0.0000000 0.0000000 0.0000000 4.2745762-------------------------- Born effective charges -------------------------- 1 S -2.8157217 0.0000000 0.0000000 0.0000000 -2.8157217 0.0000000 0.0000000 0.0000000 -1.9054807 2 S -2.8157217 0.0000000 0.0000000 0.0000000 -2.8157217 0.0000000 0.0000000 0.0000000 -1.9054807 3 Rb 1.0531681 -0.0000000 0.0000000 0.0000000 1.0531681 0.0000000 0.0000000 0.0000000 1.8809486 4 Sm 4.5782754 -0.0000000 0.0000000 0.0000000 4.5782754 0.0000000 0.0000000 0.0000000 1.9300128----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 55, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 82, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:18:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:18:42]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [3 3 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.056482042904243 1.187310461054394 7.599543469999992 b -2.056482042904239 1.187310461054394 7.599543469999992 c 0.000000000000002 -2.374620922108791 7.599543469999992Atomic positions (fractional): 1 S 0.76800931519611 0.76800931519611 0.76800931519611 32.065 2 S 0.23199068480389 0.23199068480389 0.23199068480389 32.065 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Sm 0.50000000000000 0.50000000000000 0.50000000000000 150.360-------------------------------- supercell ---------------------------------Lattice vectors: a 12.338892257425446 0.000000000000000 0.000000000000000 b -6.169446128712723 10.685794149489556 0.000000000000000 c 0.000000000000000 0.000000000000000 22.798630410000001Atomic positions (fractional): 1 S 0.22222222222222 0.11111111111111 0.10134264852945 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.10134264852945 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.10134264852945 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.10134264852945 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.10134264852945 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.10134264852945 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.10134264852945 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.10134264852945 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.10134264852945 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.23199068480389 32.065 > 10 11 S 0.33333333333333 0.00000000000000 0.23199068480389 32.065 > 10 12 S 0.66666666666667 0.00000000000000 0.23199068480389 32.065 > 10 13 S 0.00000000000000 0.33333333333333 0.23199068480389 32.065 > 10 14 S 0.33333333333333 0.33333333333333 0.23199068480389 32.065 > 10 15 S 0.66666666666667 0.33333333333333 0.23199068480389 32.065 > 10 16 S 0.00000000000000 0.66666666666667 0.23199068480389 32.065 > 10 17 S 0.33333333333333 0.66666666666667 0.23199068480389 32.065 > 10 18 S 0.66666666666667 0.66666666666667 0.23199068480389 32.065 > 10 19 S 0.11111111111111 0.22222222222222 0.43467598186278 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.43467598186278 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.43467598186278 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.43467598186278 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.43467598186278 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.43467598186278 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.43467598186278 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.43467598186278 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.43467598186278 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.56532401813722 32.065 > 10 29 S 0.55555555555556 0.11111111111111 0.56532401813722 32.065 > 10 30 S 0.88888888888889 0.11111111111111 0.56532401813722 32.065 > 10 31 S 0.22222222222222 0.44444444444444 0.56532401813722 32.065 > 10 32 S 0.55555555555556 0.44444444444444 0.56532401813722 32.065 > 10 33 S 0.88888888888889 0.44444444444444 0.56532401813722 32.065 > 10 34 S 0.22222222222222 0.77777777777778 0.56532401813722 32.065 > 10 35 S 0.55555555555556 0.77777777777778 0.56532401813722 32.065 > 10 36 S 0.88888888888889 0.77777777777778 0.56532401813722 32.065 > 10 37 S 0.00000000000000 0.00000000000000 0.76800931519611 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.76800931519611 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.76800931519611 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.76800931519611 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.76800931519611 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.76800931519611 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.76800931519611 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.76800931519611 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.76800931519611 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.89865735147055 32.065 > 10 47 S 0.44444444444444 0.22222222222222 0.89865735147055 32.065 > 10 48 S 0.77777777777778 0.22222222222222 0.89865735147055 32.065 > 10 49 S 0.11111111111111 0.55555555555556 0.89865735147055 32.065 > 10 50 S 0.44444444444444 0.55555555555556 0.89865735147055 32.065 > 10 51 S 0.77777777777778 0.55555555555556 0.89865735147055 32.065 > 10 52 S 0.11111111111111 0.88888888888889 0.89865735147055 32.065 > 10 53 S 0.44444444444444 0.88888888888889 0.89865735147055 32.065 > 10 54 S 0.77777777777778 0.88888888888889 0.89865735147055 32.065 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Sm 0.11111111111111 0.22222222222222 0.16666666666667 150.360 > 82 83 Sm 0.44444444444444 0.22222222222222 0.16666666666667 150.360 > 82 84 Sm 0.77777777777778 0.22222222222222 0.16666666666667 150.360 > 82 85 Sm 0.11111111111111 0.55555555555556 0.16666666666667 150.360 > 82 86 Sm 0.44444444444444 0.55555555555556 0.16666666666667 150.360 > 82 87 Sm 0.77777777777778 0.55555555555556 0.16666666666667 150.360 > 82 88 Sm 0.11111111111111 0.88888888888889 0.16666666666667 150.360 > 82 89 Sm 0.44444444444444 0.88888888888889 0.16666666666667 150.360 > 82 90 Sm 0.77777777777778 0.88888888888889 0.16666666666667 150.360 > 82 91 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 > 82 92 Sm 0.33333333333333 0.00000000000000 0.50000000000000 150.360 > 82 93 Sm 0.66666666666667 0.00000000000000 0.50000000000000 150.360 > 82 94 Sm 0.00000000000000 0.33333333333333 0.50000000000000 150.360 > 82 95 Sm 0.33333333333333 0.33333333333333 0.50000000000000 150.360 > 82 96 Sm 0.66666666666667 0.33333333333333 0.50000000000000 150.360 > 82 97 Sm 0.00000000000000 0.66666666666667 0.50000000000000 150.360 > 82 98 Sm 0.33333333333333 0.66666666666667 0.50000000000000 150.360 > 82 99 Sm 0.66666666666667 0.66666666666667 0.50000000000000 150.360 > 82 100 Sm 0.22222222222222 0.11111111111111 0.83333333333333 150.360 > 82 101 Sm 0.55555555555556 0.11111111111111 0.83333333333333 150.360 > 82 102 Sm 0.88888888888889 0.11111111111111 0.83333333333333 150.360 > 82 103 Sm 0.22222222222222 0.44444444444444 0.83333333333333 150.360 > 82 104 Sm 0.55555555555556 0.44444444444444 0.83333333333333 150.360 > 82 105 Sm 0.88888888888889 0.44444444444444 0.83333333333333 150.360 > 82 106 Sm 0.22222222222222 0.77777777777778 0.83333333333333 150.360 > 82 107 Sm 0.55555555555556 0.77777777777778 0.83333333333333 150.360 > 82 108 Sm 0.88888888888889 0.77777777777778 0.83333333333333 150.360 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 5.6571702 0.0000000 0.0000000 0.0000000 5.6571702 0.0000000 0.0000000 0.0000000 4.2745762-------------------------- Born effective charges -------------------------- 1 S -2.8157217 0.0000000 0.0000000 0.0000000 -2.8157217 0.0000000 0.0000000 0.0000000 -1.9054807 2 S -2.8157217 0.0000000 0.0000000 0.0000000 -2.8157217 0.0000000 0.0000000 0.0000000 -1.9054807 3 Rb 1.0531681 -0.0000000 0.0000000 0.0000000 1.0531681 0.0000000 0.0000000 0.0000000 1.8809486 4 Sm 4.5782754 -0.0000000 0.0000000 0.0000000 4.5782754 0.0000000 0.0000000 0.0000000 1.9300128----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy)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 ... [ 14 14 14 ]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: 0.86, Number of G-points: 313, Lambda: 0.21Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/288) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 288Calculating 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 2.131 ( 0.000 0.000 0.000) 0.000 2.131 ( 0.000 0.000 0.000) 0.000 3.542 ( 0.000 0.000 0.000) 0.000 5.001 ( 0.000 0.000 0.000) 0.000 5.001 ( 0.000 0.000 0.000) 0.000 6.272 ( 0.000 0.000 0.000) 0.000 6.272 ( 0.000 0.000 0.000) 0.000 6.782 ( 0.000 0.000 0.000) 0.000 7.820 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/288) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.430 ( 19.256 11.118 -4.815) 22.751 0.461 ( 20.245 11.689 -3.920) 23.703 0.906 ( 36.569 21.113 13.396) 44.300 2.138 ( 0.583 0.336 0.640) 0.929 2.186 ( 4.868 2.810 -2.222) 6.044 3.520 ( -2.259 -1.304 0.848) 2.743 5.031 ( 2.515 1.452 0.517) 2.949 6.237 ( -3.006 -1.736 0.224) 3.479 6.249 ( -1.915 -1.106 -0.191) 2.219 6.771 ( 3.124 1.804 -14.749) 15.184 7.747 ( -6.168 -3.561 1.660) 7.313 8.383 ( -0.609 -0.352 -3.131) 3.209======================= Grid point 2 (3/288) =======================q-point: ( 0.14 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.859 ( 19.033 10.989 -4.828) 22.502 0.907 ( 19.399 11.200 -5.704) 23.115 1.749 ( 31.548 18.214 12.462) 38.501 2.162 ( 1.146 0.662 1.333) 1.878 2.338 ( 9.570 5.525 -5.211) 12.218 3.449 ( -3.801 -2.195 -0.015) 4.389 5.119 ( 4.817 2.781 0.839) 5.625 6.139 ( -5.292 -3.055 0.061) 6.111 6.190 ( -2.832 -1.635 -0.339) 3.288 6.805 ( 2.355 1.360 -5.370) 6.019 7.569 ( -9.335 -5.390 2.963) 11.179 8.326 ( -3.295 -1.902 -5.275) 6.504======================= Grid point 3 (4/288) =======================q-point: ( 0.21 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.271 ( 17.547 10.131 -4.979) 20.865 1.316 ( 17.616 10.171 -7.857) 21.806 2.201 ( 1.784 1.030 2.127) 2.961 2.309 ( 12.076 6.972 6.191) 15.256 2.685 ( 22.635 13.068 -4.721) 26.559 3.359 ( -3.723 -2.149 3.736) 5.695 5.252 ( 6.231 3.597 0.894) 7.250 6.010 ( -5.364 -3.097 -0.433) 6.209 6.128 ( -2.111 -1.219 -0.412) 2.472 6.830 ( 0.217 0.125 -0.772) 0.812 7.346 ( -10.639 -6.143 3.265) 12.712 8.204 ( -5.129 -2.961 -7.347) 9.437======================= Grid point 4 (5/288) =======================q-point: ( 0.29 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.624 ( 13.908 8.030 -5.124) 16.857 1.668 ( 15.113 8.725 -9.461) 19.850 2.260 ( 2.795 1.614 2.891) 4.333 2.498 ( 5.575 3.219 0.672) 6.473 3.049 ( 3.364 1.942 -4.101) 5.649 3.431 ( 12.004 6.930 9.186) 16.629 5.398 ( 5.734 3.311 0.717) 6.660 5.911 ( -2.514 -1.451 -1.036) 3.082 6.103 ( 0.214 0.124 -0.370) 0.445 6.795 ( -3.536 -2.042 1.541) 4.364 7.099 ( -11.290 -6.518 1.319) 13.103 8.071 ( -3.777 -2.180 -6.813) 8.089======================= Grid point 5 (6/288) =======================q-point: ( 0.36 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.868 ( 8.276 4.778 -4.384) 10.513 1.957 ( 12.486 7.209 -9.557) 17.298 2.350 ( 4.007 2.313 2.811) 5.413 2.605 ( 3.734 2.156 -0.315) 4.323 2.972 ( -6.543 -3.778 4.083) 8.588 3.771 ( 12.099 6.985 3.224) 14.338 5.508 ( 3.487 2.013 0.409) 4.047 5.900 ( 1.949 1.125 -1.561) 2.739 6.137 ( 2.594 1.498 -0.214) 3.003 6.672 ( -8.112 -4.683 4.005) 10.187 6.850 ( -8.889 -5.132 -3.450) 10.829 8.001 ( -0.969 -0.559 -3.688) 3.853======================= Grid point 6 (7/288) =======================q-point: ( 0.43 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.987 ( 3.301 1.906 -2.312) 4.458 2.187 ( 9.407 5.431 -7.424) 13.157 2.446 ( 3.198 1.847 1.490) 3.982 2.659 ( 0.423 0.244 -0.885) 1.011 2.834 ( -5.617 -3.243 6.717) 9.337 3.975 ( 5.259 3.036 0.573) 6.100 5.564 ( 1.399 0.808 0.151) 1.623 5.983 ( 5.322 3.072 -1.778) 6.397 6.201 ( 2.473 1.428 -0.071) 2.856 6.450 ( -10.690 -6.172 2.878) 12.675 6.705 ( -3.129 -1.806 -2.976) 4.681 7.989 ( 0.261 0.151 -1.138) 1.178======================= Grid point 7 (8/288) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.020 ( 0.000 0.000 0.000) 0.000 2.304 ( 0.000 0.000 0.000) 0.000 2.488 ( 0.000 0.000 0.000) 0.000 2.632 ( -0.000 -0.000 0.000) 0.000 2.789 ( 0.000 0.000 -0.000) 0.000 4.034 ( 0.000 0.000 0.000) 0.000 5.580 ( 0.000 0.000 0.000) 0.000 6.081 ( 0.000 0.000 0.000) 0.000 6.232 ( 0.000 0.000 0.000) 0.000 6.288 ( -0.000 -0.000 0.000) 0.000 6.666 ( 0.000 0.000 0.000) 0.000 7.992 ( 0.000 0.000 -0.000) 0.000======================= Grid point 16 (9/288) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.523 ( -0.000 21.526 14.029) 25.694 0.543 ( -0.000 23.842 9.711) 25.744 0.858 ( -0.000 40.299 5.504) 40.674 2.123 ( 0.000 0.055 -2.713) 2.713 2.195 ( -0.000 6.308 -0.192) 6.311 3.521 ( 0.000 -3.684 1.029) 3.825 5.026 ( -0.000 2.701 -0.471) 2.742 6.234 ( 0.000 -3.555 -0.492) 3.589 6.251 ( 0.000 -2.126 0.227) 2.138 6.698 ( 0.000 9.536 -27.971) 29.552 7.752 ( 0.000 -7.237 2.597) 7.689 8.381 ( 0.000 0.288 -3.239) 3.251======================= Grid point 17 (10/288) =======================q-point: ( 0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.714 ( 3.454 19.084 10.306) 21.963 0.933 ( 7.379 25.383 -1.416) 26.472 1.520 ( 24.041 29.252 10.965) 39.419 2.137 ( 2.340 0.243 -2.617) 3.519 2.292 ( 2.757 9.099 -2.192) 9.757 3.463 ( -1.740 -4.074 -1.499) 4.677 5.087 ( 2.996 3.984 0.079) 4.985 6.171 ( -2.460 -4.854 -0.367) 5.454 6.207 ( -1.797 -2.533 0.071) 3.107 6.743 ( 3.457 3.900 -13.599) 14.563 7.633 ( -4.875 -9.061 3.600) 10.901 8.346 ( -2.555 -1.172 -4.159) 5.020======================= Grid point 18 (11/288) =======================q-point: ( 0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.050 ( 11.980 14.460 3.395) 19.082 1.298 ( 7.992 22.468 -4.888) 24.343 2.167 ( 12.794 10.197 6.035) 17.438 2.195 ( 6.984 5.009 2.321) 8.903 2.506 ( 12.435 16.849 -5.075) 21.547 3.382 ( -1.953 -4.354 0.204) 4.776 5.205 ( 4.879 5.411 0.638) 7.313 6.057 ( -4.407 -4.768 -0.508) 6.512 6.150 ( -2.001 -1.747 -0.165) 2.661 6.794 ( 2.911 0.624 -5.745) 6.471 7.441 ( -7.606 -9.407 4.238) 12.818 8.240 ( -5.171 -2.932 -6.276) 8.644======================= Grid point 19 (12/288) =======================q-point: ( 0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.406 ( 13.493 10.663 -1.320) 17.248 1.624 ( 7.849 18.327 -6.454) 20.956 2.259 ( 2.370 4.024 0.856) 4.748 2.427 ( 6.252 3.321 1.079) 7.161 2.954 ( 12.613 13.194 -4.815) 18.877 3.364 ( 4.620 0.966 7.497) 8.859 5.358 ( 5.154 6.487 0.872) 8.331 5.940 ( -3.607 -3.231 -0.953) 4.936 6.112 ( -1.056 0.154 -0.352) 1.124 6.805 ( 0.190 -1.948 -2.022) 2.814 7.212 ( -9.511 -9.227 3.678) 13.752 8.091 ( -4.885 -3.573 -7.045) 9.288======================= Grid point 20 (13/288) =======================q-point: ( 0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.709 ( 11.695 7.207 -3.862) 14.270 1.890 ( 6.502 13.831 -7.085) 16.846 2.354 ( 2.081 6.234 2.139) 6.911 2.546 ( 4.930 1.640 -0.482) 5.218 3.036 ( -3.006 -1.587 0.147) 3.402 3.648 ( 12.867 9.385 5.308) 16.787 5.503 ( 3.091 6.788 0.798) 7.501 5.880 ( -0.136 -0.817 -1.475) 1.692 6.122 ( 1.008 2.040 -0.374) 2.307 6.748 ( -3.365 -3.034 0.131) 4.533 6.948 ( -10.977 -8.760 0.377) 14.049 7.983 ( -1.202 -3.075 -4.736) 5.774======================= Grid point 21 (14/288) =======================q-point: ( 0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.922 ( 6.905 4.669 -3.313) 8.969 2.091 ( 6.396 9.430 -7.231) 13.495 2.460 ( 1.257 6.687 2.341) 7.195 2.627 ( 3.106 0.506 -0.869) 3.264 2.936 ( -6.176 -2.058 4.512) 7.920 3.912 ( 7.248 5.212 1.893) 9.126 5.598 ( -0.121 6.714 0.492) 6.733 5.912 ( 4.040 0.981 -1.844) 4.548 6.177 ( 2.317 2.490 -0.173) 3.406 6.605 ( -11.316 -4.571 3.759) 12.770 6.718 ( -3.615 -4.695 -4.511) 7.447 7.952 ( 1.689 -2.704 -1.773) 3.648======================= Grid point 22 (15/288) =======================q-point: ( 0.50 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.021 ( 1.346 2.970 -1.480) 3.581 2.260 ( 5.889 5.238 -5.216) 9.451 2.521 ( -1.395 3.177 1.991) 4.001 2.648 ( -0.328 -0.102 -0.643) 0.729 2.842 ( -5.030 1.634 2.802) 5.985 4.026 ( 2.058 1.390 1.067) 2.703 5.640 ( -2.645 6.437 0.192) 6.962 6.007 ( 5.659 0.026 -1.429) 5.836 6.238 ( 1.917 2.598 -0.010) 3.229 6.370 ( -9.660 -3.225 1.157) 10.250 6.659 ( -0.183 -1.116 -1.094) 1.574 7.958 ( 2.152 -2.876 -0.287) 3.603======================= Grid point 23 (16/288) =======================q-point: (-0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.030 ( -2.199 0.767 0.505) 2.383 2.299 ( -4.374 -1.287 2.875) 5.390 2.506 ( -2.497 1.589 -0.950) 3.109 2.651 ( 0.670 0.733 0.018) 0.993 2.810 ( -1.693 4.525 -3.866) 6.188 4.026 ( -2.675 -1.161 1.121) 3.124 5.639 ( -4.341 5.390 -0.028) 6.920 6.019 ( -2.053 -4.597 1.084) 5.150 6.238 ( -3.303 -0.352 -0.014) 3.322 6.357 ( 6.674 6.555 -1.572) 9.486 6.672 ( 2.202 0.055 1.476) 2.652 7.962 ( 1.796 -3.107 0.563) 3.633======================= Grid point 24 (17/288) =======================q-point: (-0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.953 ( -6.294 -3.499 3.123) 7.850 2.158 ( -10.329 -1.677 6.918) 12.545 2.437 ( -6.528 1.839 -2.389) 7.190 2.634 ( -2.178 -2.617 0.469) 3.437 2.884 ( 5.568 5.712 -6.315) 10.174 3.902 ( -9.508 -3.922 -0.212) 10.287 5.595 ( -5.835 3.239 -0.269) 6.679 5.929 ( -2.927 -2.995 1.691) 4.516 6.178 ( -3.273 -0.605 0.160) 3.332 6.568 ( 8.785 7.114 -4.091) 12.022 6.757 ( 6.604 1.148 3.652) 7.633 7.972 ( 2.455 -2.434 2.245) 4.122======================= Grid point 25 (18/288) =======================q-point: (-0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.752 ( -11.594 -7.923 5.250) 14.992 1.958 ( -14.767 0.171 7.327) 16.486 2.329 ( -6.327 1.768 -3.162) 7.290 2.547 ( -4.071 -3.519 -0.339) 5.392 3.030 ( 6.034 3.675 -1.439) 7.211 3.604 ( -17.435 -7.003 -3.890) 19.187 5.496 ( -7.486 0.526 -0.539) 7.524 5.893 ( 0.543 -0.341 1.304) 1.453 6.125 ( -2.264 0.245 0.300) 2.297 6.731 ( 5.411 3.073 -3.256) 7.023 6.952 ( 11.215 3.435 1.067) 11.778 8.028 ( 4.650 -0.336 4.691) 6.613======================= Grid point 26 (19/288) =======================q-point: (-0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.436 ( -16.225 -9.443 4.811) 19.380 1.687 ( -19.580 1.034 6.820) 20.759 2.243 ( -4.326 1.189 -2.577) 5.174 2.410 ( -7.521 -4.245 -2.126) 8.894 3.008 ( -20.354 -4.796 6.432) 21.878 3.287 ( 0.902 -1.509 -8.759) 8.934 5.351 ( -8.220 -1.205 -0.675) 8.335 5.948 ( 4.371 1.443 0.665) 4.651 6.116 ( 0.385 0.932 0.313) 1.056 6.808 ( 2.486 0.335 -1.571) 2.960 7.188 ( 11.836 3.219 -1.388) 12.344 8.150 ( 6.329 1.543 5.408) 8.467======================= Grid point 27 (20/288) =======================q-point: (-0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.048 ( -19.056 -7.983 2.968) 20.873 1.347 ( -23.383 1.938 5.238) 24.041 2.100 ( -23.611 -6.479 -5.660) 25.129 2.187 ( -3.010 0.117 -1.410) 3.326 2.546 ( -19.669 -3.846 3.128) 20.285 3.375 ( 6.212 0.806 -1.196) 6.377 5.200 ( -7.129 -1.204 -0.522) 7.248 6.060 ( 6.179 1.476 0.117) 6.354 6.152 ( 2.516 0.669 0.208) 2.612 6.823 ( 0.025 -0.512 0.233) 0.563 7.414 ( 11.565 2.105 -1.342) 11.831 8.286 ( 5.289 1.355 3.310) 6.385======================= Grid point 28 (21/288) =======================q-point: (-0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.663 ( -19.854 -0.000 0.000) 19.854 0.942 ( -25.861 -0.000 0.000) 25.861 1.465 ( -39.054 -0.000 0.000) 39.054 2.150 ( -1.349 -0.000 0.000) 1.349 2.302 ( -9.460 -0.000 0.000) 9.460 3.470 ( 4.210 0.000 -0.000) 4.210 5.087 ( -4.923 -0.000 0.000) 4.923 6.173 ( 5.406 0.000 -0.000) 5.406 6.207 ( 3.088 0.000 -0.000) 3.088 6.811 ( -1.092 -0.000 0.000) 1.092 7.615 ( 10.128 0.000 -0.000) 10.128 8.367 ( 2.572 0.000 -0.000) 2.572======================= Grid point 31 (22/288) =======================q-point: ( 0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.034 ( -0.000 20.926 12.474) 24.362 1.071 ( -0.000 23.031 8.073) 24.405 1.660 ( -0.000 35.094 5.419) 35.510 2.100 ( 0.000 0.139 -5.192) 5.194 2.376 ( -0.000 12.329 -1.358) 12.403 3.421 ( 0.000 -5.664 -2.834) 6.333 5.105 ( -0.000 5.437 -0.585) 5.469 6.132 ( 0.000 -5.874 -0.658) 5.911 6.196 ( 0.000 -3.196 0.300) 3.210 6.711 ( 0.000 4.316 -13.621) 14.288 7.582 ( 0.000 -11.289 3.651) 11.865 8.348 ( 0.000 -1.708 -3.038) 3.485======================= Grid point 32 (23/288) =======================q-point: ( 0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.200 ( -2.976 20.964 12.046) 24.361 1.406 ( 5.293 21.636 0.881) 22.291 2.110 ( 9.593 17.138 2.928) 19.857 2.125 ( 5.867 4.635 -1.177) 7.569 2.544 ( 3.955 19.447 -3.565) 20.163 3.345 ( -0.441 -6.297 -1.817) 6.569 5.194 ( 3.307 6.669 -0.025) 7.445 6.055 ( -1.811 -5.829 -0.566) 6.130 6.156 ( -0.969 -2.467 0.159) 2.656 6.728 ( 2.394 1.178 -9.075) 9.459 7.444 ( -3.542 -11.788 3.814) 12.886 8.280 ( -4.047 -2.914 -3.819) 6.282======================= Grid point 33 (24/288) =======================q-point: ( 0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.425 ( 2.237 17.649 7.392) 19.265 1.690 ( 4.735 18.838 -3.348) 19.710 2.220 ( 6.331 3.398 -3.518) 8.001 2.384 ( 4.242 5.870 2.894) 7.799 2.900 ( 10.031 19.635 -5.736) 22.783 3.310 ( 3.433 -1.627 4.881) 6.185 5.345 ( 5.128 7.998 0.842) 9.538 5.957 ( -2.952 -4.342 -0.865) 5.322 6.127 ( -0.507 -0.348 -0.211) 0.650 6.745 ( 2.383 -2.203 -5.429) 6.325 7.256 ( -5.949 -11.296 3.925) 13.357 8.135 ( -6.470 -3.805 -5.046) 9.044======================= Grid point 34 (25/288) =======================q-point: ( 0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.657 ( 4.987 12.797 2.067) 13.889 1.927 ( 4.139 14.941 -4.659) 16.189 2.373 ( 5.493 7.101 -0.667) 9.003 2.485 ( 3.133 2.571 0.654) 4.105 3.044 ( 0.410 -0.399 -3.471) 3.517 3.554 ( 11.786 12.009 5.698) 17.765 5.522 ( 4.515 8.842 1.462) 10.035 5.878 ( -1.639 -1.915 -1.421) 2.894 6.134 ( 0.352 2.239 -0.743) 2.385 6.725 ( 0.702 -4.135 -3.769) 5.639 7.035 ( -8.535 -10.156 3.275) 13.665 7.977 ( -4.540 -4.028 -4.587) 7.608======================= Grid point 35 (26/288) =======================q-point: ( 0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.866 ( 5.809 9.344 -0.658) 11.022 2.097 ( 2.812 10.208 -5.078) 11.743 2.525 ( 1.846 8.449 1.858) 8.846 2.564 ( 3.977 0.582 0.046) 4.020 3.011 ( -2.151 -0.276 1.151) 2.455 3.845 ( 7.974 7.393 1.980) 11.052 5.672 ( 1.775 8.728 1.520) 9.035 5.864 ( 1.471 0.493 -1.861) 2.423 6.175 ( 1.172 3.409 -1.040) 3.752 6.676 ( -0.169 -3.493 -3.028) 4.626 6.777 ( -11.281 -7.892 1.916) 13.901 7.887 ( 0.164 -4.237 -2.329) 4.838======================= Grid point 36 (27/288) =======================q-point: ( 0.50 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.027 ( 2.962 6.981 -1.080) 7.660 2.216 ( 3.636 6.626 -4.797) 8.952 2.589 ( -1.912 1.954 2.898) 3.984 2.623 ( 2.415 -0.086 0.216) 2.426 2.991 ( -4.756 7.414 1.233) 8.894 3.993 ( 3.842 1.720 0.886) 4.302 5.765 ( -1.487 8.541 0.966) 8.723 5.918 ( 4.001 0.964 -1.664) 4.439 6.227 ( 1.802 2.336 -0.852) 3.071 6.517 ( -10.696 -4.743 0.138) 11.701 6.648 ( -0.153 -0.531 -0.782) 0.958 7.869 ( 2.920 -4.773 -0.611) 5.629======================= Grid point 37 (28/288) =======================q-point: (-0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.090 ( -1.828 4.395 -0.398) 4.776 2.318 ( 2.401 2.883 -2.546) 4.534 2.543 ( -2.553 -1.413 1.713) 3.383 2.644 ( 0.656 -1.287 0.221) 1.461 2.980 ( -8.084 11.633 -1.407) 14.235 4.038 ( 0.852 -1.157 1.599) 2.150 5.794 ( -4.786 7.583 0.274) 8.971 5.977 ( 2.343 -2.010 -0.259) 3.097 6.282 ( 1.412 -0.096 -0.542) 1.516 6.354 ( -3.680 3.450 -0.008) 5.044 6.652 ( 0.497 0.400 0.271) 0.693 7.874 ( 3.333 -5.185 0.136) 6.166======================= Grid point 38 (29/288) =======================q-point: (-0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.049 ( -6.005 0.379 0.989) 6.098 2.299 ( -5.066 -0.409 3.284) 6.052 2.523 ( -0.978 1.207 -3.085) 3.454 2.630 ( -0.167 -2.398 0.645) 2.489 2.940 ( -6.597 9.562 -3.828) 12.231 4.001 ( -4.459 -2.190 1.627) 5.228 5.754 ( -6.910 4.768 -0.169) 8.397 5.946 ( -1.991 -3.004 1.165) 3.787 6.241 ( -3.421 1.044 0.630) 3.632 6.484 ( 7.755 7.012 -2.890) 10.847 6.681 ( 3.043 -0.517 2.121) 3.745 7.885 ( 3.735 -4.582 1.002) 5.995======================= Grid point 39 (30/288) =======================q-point: (-0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.898 ( -10.061 -3.232 2.526) 10.865 2.191 ( -9.145 0.820 4.249) 10.117 2.471 ( -6.143 2.897 -3.359) 7.577 2.573 ( -3.412 -3.482 0.901) 4.958 2.966 ( 2.862 4.890 -3.479) 6.649 3.825 ( -13.412 -3.244 0.042) 13.799 5.653 ( -8.453 2.087 -0.332) 8.713 5.894 ( -1.222 -1.311 1.154) 2.131 6.190 ( -4.086 1.468 0.521) 4.373 6.659 ( 5.662 4.160 -4.016) 8.093 6.792 ( 9.633 0.353 2.680) 10.005 7.934 ( 5.603 -2.388 2.254) 6.494======================= Grid point 40 (31/288) =======================q-point: (-0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.658 ( -14.544 -3.326 2.235) 15.086 2.008 ( -14.303 0.776 3.033) 14.642 2.362 ( -7.840 2.523 -1.899) 8.452 2.473 ( -4.311 -3.050 -0.000) 5.281 3.091 ( 7.151 2.187 0.371) 7.487 3.468 ( -22.874 -3.673 -2.240) 23.275 5.504 ( -9.690 0.299 -0.297) 9.699 5.898 ( 2.166 0.052 0.560) 2.238 6.143 ( -2.485 0.870 0.226) 2.643 6.752 ( 3.782 0.712 -1.432) 4.106 7.000 ( 11.872 1.117 0.014) 11.924 8.046 ( 7.594 -0.141 2.284) 7.932======================= Grid point 41 (32/288) =======================q-point: (-0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.351 ( -18.574 -0.000 0.000) 18.574 1.731 ( -18.759 -0.000 0.000) 18.759 2.255 ( -5.323 -0.000 0.000) 5.323 2.345 ( -9.530 -0.000 0.000) 9.530 2.974 ( -28.759 -0.000 0.000) 28.759 3.248 ( 8.214 0.000 -0.000) 8.214 5.337 ( -9.171 -0.000 0.000) 9.171 5.966 ( 5.117 0.000 -0.000) 5.117 6.129 ( 0.352 0.000 -0.000) 0.352 6.803 ( 2.014 0.000 -0.000) 2.014 7.215 ( 12.118 0.000 -0.000) 12.118 8.186 ( 7.401 0.000 -0.000) 7.401======================= Grid point 46 (33/288) =======================q-point: ( 0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.509 ( -0.000 19.005 10.485) 21.706 1.553 ( -0.000 20.344 5.335) 21.032 2.066 ( 0.000 0.469 -7.201) 7.216 2.242 ( -0.000 17.442 4.792) 18.088 2.712 ( -0.000 23.612 -5.670) 24.283 3.274 ( 0.000 -6.667 -0.349) 6.676 5.234 ( -0.000 7.464 -0.241) 7.468 6.012 ( 0.000 -5.303 -0.173) 5.306 6.137 ( 0.000 -2.529 0.147) 2.533 6.686 ( 0.000 -0.090 -8.581) 8.581 7.360 ( 0.000 -12.591 3.101) 12.967 8.276 ( 0.000 -3.510 -2.755) 4.462======================= Grid point 47 (34/288) =======================q-point: ( 0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.662 ( -4.098 17.132 9.262) 19.902 1.801 ( 2.985 17.032 0.691) 17.305 2.115 ( 6.636 2.764 -6.075) 9.412 2.408 ( 2.055 7.756 2.217) 8.324 2.942 ( 3.489 13.790 -10.263) 17.541 3.272 ( 3.235 5.020 7.329) 9.454 5.347 ( 3.970 8.082 0.429) 9.015 5.952 ( -1.508 -3.777 -0.268) 4.076 6.120 ( 0.319 -0.925 -0.067) 0.980 6.664 ( 1.572 -2.728 -6.551) 7.269 7.221 ( -2.570 -12.180 2.684) 12.734 8.187 ( -4.718 -3.963 -3.015) 6.860======================= Grid point 48 (35/288) =======================q-point: ( 0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.777 ( -1.465 12.296 4.110) 13.047 2.004 ( 2.664 13.661 -1.568) 14.006 2.296 ( 9.142 6.567 -2.141) 11.459 2.495 ( 1.416 4.658 0.201) 4.872 2.987 ( 2.163 -3.721 -5.019) 6.612 3.542 ( 7.849 17.098 5.389) 19.570 5.525 ( 5.914 8.706 1.524) 10.634 5.889 ( -2.074 -1.580 -1.003) 2.793 6.136 ( 1.325 1.537 -0.715) 2.151 6.638 ( 1.860 -5.022 -4.954) 7.296 7.050 ( -4.526 -10.938 2.553) 12.109 8.031 ( -6.939 -3.871 -3.217) 8.572======================= Grid point 49 (36/288) =======================q-point: ( 0.43 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.903 ( 2.208 10.104 1.497) 10.450 2.146 ( 1.541 8.973 -3.079) 9.611 2.485 ( 5.472 3.021 0.141) 6.252 2.588 ( 2.209 7.194 1.786) 7.734 2.989 ( 3.818 -1.722 -1.063) 4.321 3.819 ( 5.526 10.784 1.738) 12.242 5.710 ( 4.180 7.882 2.364) 9.229 5.858 ( -0.256 1.218 -1.650) 2.067 6.184 ( 1.480 3.290 -1.912) 4.083 6.602 ( 1.915 -5.192 -3.938) 6.792 6.862 ( -6.678 -8.579 2.394) 11.133 7.876 ( -4.731 -3.734 -2.331) 6.462======================= Grid point 50 (37/288) =======================q-point: ( 0.50 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.057 ( 3.264 9.319 0.611) 9.893 2.229 ( 1.079 5.672 -3.185) 6.594 2.567 ( 3.103 0.054 0.298) 3.118 2.646 ( -1.712 0.023 3.584) 3.972 3.107 ( 3.659 10.331 0.022) 10.960 3.952 ( 2.340 2.338 -0.121) 3.310 5.823 ( 2.071 4.185 0.820) 4.741 5.903 ( 1.294 4.872 -0.145) 5.043 6.220 ( 0.432 1.218 -2.792) 3.076 6.580 ( -0.170 -2.310 -3.033) 3.816 6.684 ( -5.733 -3.389 2.489) 7.109 7.788 ( -0.247 -4.476 -0.965) 4.586======================= Grid point 51 (38/288) =======================q-point: ( 0.57 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.177 ( -0.579 7.953 0.154) 7.976 2.294 ( 2.477 3.465 -2.671) 5.028 2.579 ( -3.156 -3.056 2.062) 4.853 2.606 ( 1.507 -2.325 1.088) 2.976 3.244 ( -4.775 15.829 -0.669) 16.547 3.981 ( 2.851 -3.578 0.507) 4.603 5.901 ( 2.149 3.306 -0.160) 3.947 5.948 ( -1.673 3.116 0.414) 3.561 6.221 ( 2.346 -2.563 -1.707) 3.871 6.495 ( -6.522 3.405 0.053) 7.357 6.657 ( 0.285 0.947 0.079) 0.992 7.761 ( 2.758 -5.415 -0.172) 6.080======================= Grid point 52 (39/288) =======================q-point: (-0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.179 ( -6.231 4.021 0.265) 7.420 2.345 ( 0.301 0.917 -0.360) 1.030 2.515 ( -0.202 -1.730 -0.246) 1.759 2.604 ( 0.528 -2.072 0.218) 2.149 3.224 ( -12.543 11.812 -1.762) 17.320 4.000 ( 2.412 -3.334 1.593) 4.413 5.899 ( -5.663 1.721 0.015) 5.919 5.946 ( 0.211 -0.126 0.072) 0.256 6.260 ( 3.685 -0.941 0.483) 3.834 6.479 ( -1.207 7.761 -0.715) 7.887 6.659 ( -0.344 -0.449 0.196) 0.598 7.768 ( 4.064 -4.848 0.267) 6.331======================= Grid point 53 (40/288) =======================q-point: (-0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.055 ( -9.562 -0.119 0.584) 9.581 2.321 ( -3.992 0.580 1.685) 4.372 2.513 ( 0.254 -0.183 -2.481) 2.501 2.596 ( -0.246 -1.014 0.707) 1.260 3.081 ( -10.944 4.791 -1.522) 12.043 3.968 ( -4.826 -1.403 0.864) 5.100 5.801 ( -6.643 0.515 -0.098) 6.663 5.920 ( -2.357 -0.419 0.397) 2.426 6.280 ( -2.732 1.485 0.816) 3.215 6.593 ( 5.583 5.660 -3.389) 8.643 6.664 ( 3.892 -2.829 2.492) 5.418 7.814 ( 5.456 -2.384 0.603) 5.985======================= Grid point 54 (41/288) =======================q-point: (-0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.871 ( -11.469 -0.000 0.000) 11.469 2.218 ( -8.846 -0.000 0.000) 8.846 2.500 ( -1.328 -0.000 0.000) 1.328 2.526 ( -7.728 -0.000 0.000) 7.728 3.010 ( 1.365 0.000 -0.000) 1.365 3.790 ( -15.102 -0.000 0.000) 15.102 5.671 ( -8.805 -0.000 0.000) 8.805 5.886 ( -0.783 -0.000 0.000) 0.783 6.215 ( -4.779 -0.000 0.000) 4.779 6.686 ( 3.895 0.000 -0.000) 3.895 6.804 ( 11.000 0.000 -0.000) 11.000 7.915 ( 7.198 0.000 -0.000) 7.198======================= Grid point 61 (42/288) =======================q-point: ( 0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.895 ( -0.000 10.865 7.369) 13.128 1.932 ( -0.000 14.905 0.764) 14.925 2.052 ( -0.000 5.549 -7.147) 9.049 2.465 ( -0.000 5.445 -0.282) 5.452 2.937 ( 0.000 -2.048 -8.208) 8.460 3.397 ( -0.000 19.707 7.693) 21.156 5.386 ( -0.000 7.257 0.264) 7.262 5.936 ( 0.000 -1.962 0.144) 1.968 6.109 ( 0.000 -0.029 -0.110) 0.114 6.598 ( 0.000 -4.075 -5.617) 6.940 7.127 ( 0.000 -11.814 1.482) 11.907 8.182 ( 0.000 -4.101 -2.213) 4.660======================= Grid point 62 (43/288) =======================q-point: ( 0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.917 ( -2.686 4.985 -0.931) 5.739 2.084 ( 1.897 9.615 -0.889) 9.841 2.222 ( 7.719 11.321 -0.536) 13.713 2.509 ( 1.212 3.038 -2.647) 4.208 2.887 ( 1.338 -6.276 -1.386) 6.565 3.656 ( 2.920 20.061 4.922) 20.862 5.504 ( 5.285 6.686 0.808) 8.561 5.912 ( -1.617 0.036 -0.495) 1.691 6.126 ( 1.100 1.758 -0.299) 2.095 6.544 ( 1.014 -5.545 -4.116) 6.979 7.001 ( -1.870 -10.552 0.820) 10.748 8.092 ( -4.749 -3.724 -2.051) 6.374======================= Grid point 63 (44/288) =======================q-point: ( 0.43 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.957 ( 1.748 5.637 -1.073) 5.999 2.183 ( 2.009 5.088 -3.045) 6.261 2.448 ( 4.405 6.649 1.966) 8.214 2.598 ( 5.503 6.884 -1.330) 8.913 2.863 ( 4.262 -5.708 0.913) 7.182 3.887 ( 1.892 13.661 2.186) 13.964 5.691 ( 7.228 6.308 1.764) 9.754 5.885 ( -1.711 1.822 -1.448) 2.889 6.177 ( 1.988 2.961 -1.232) 3.773 6.498 ( 1.905 -5.971 -2.743) 6.841 6.861 ( -3.205 -8.616 0.654) 9.216 7.947 ( -6.923 -2.824 -1.696) 7.667======================= Grid point 64 (45/288) =======================q-point: ( 0.50 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.077 ( 4.517 6.807 -0.097) 8.169 2.248 ( 1.862 3.281 -2.435) 4.490 2.532 ( 1.792 1.677 1.284) 2.770 2.681 ( -1.872 -0.660 2.773) 3.410 3.034 ( 14.006 6.686 -0.232) 15.521 3.988 ( -1.948 5.530 -0.089) 5.863 5.835 ( 1.523 3.852 0.743) 4.208 5.914 ( 2.890 3.920 0.062) 4.871 6.217 ( -0.026 0.951 -3.087) 3.230 6.501 ( 4.941 -2.534 -1.213) 5.684 6.730 ( -3.736 -5.427 0.867) 6.645 7.804 ( -5.652 -2.422 -0.986) 6.227======================= Grid point 65 (46/288) =======================q-point: ( 0.57 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.223 ( 4.265 6.182 -0.778) 7.551 2.302 ( 0.826 3.832 -0.422) 3.943 2.567 ( 0.899 -1.067 1.342) 1.936 2.606 ( -3.594 -3.761 1.641) 5.455 3.363 ( 10.428 12.847 0.351) 16.550 3.937 ( -4.340 -3.089 -0.893) 5.402 5.885 ( 1.464 2.872 -0.735) 3.307 5.999 ( 1.563 2.877 1.922) 3.797 6.171 ( -1.751 -3.305 -2.890) 4.727 6.586 ( 2.112 3.101 -1.285) 3.966 6.650 ( -0.589 -1.468 1.397) 2.110 7.705 ( -2.122 -3.118 -0.364) 3.789======================= Grid point 66 (47/288) =======================q-point: (-0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.321 ( 1.897 2.524 -1.435) 3.468 2.340 ( -3.764 5.691 0.706) 6.859 2.489 ( -1.023 -6.145 1.218) 6.347 2.584 ( 0.152 -0.405 0.009) 0.433 3.549 ( -9.161 13.172 -0.621) 16.056 3.858 ( 6.750 -8.096 0.461) 10.551 5.929 ( 0.995 0.587 -0.268) 1.186 6.008 ( -4.407 1.832 0.277) 4.780 6.149 ( 5.352 -2.572 -0.386) 5.950 6.593 ( -2.490 4.146 0.224) 4.842 6.669 ( -0.364 0.019 -0.269) 0.453 7.671 ( 1.907 -2.755 -0.029) 3.351======================= Grid point 67 (48/288) =======================q-point: (-0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.227 ( -9.659 -0.000 0.000) 9.659 2.355 ( 0.334 0.000 -0.000) 0.334 2.487 ( 1.800 0.000 -0.000) 1.800 2.583 ( 0.391 0.000 -0.000) 0.391 3.354 ( -15.942 -0.000 0.000) 15.942 3.960 ( 4.878 0.000 -0.000) 4.878 5.899 ( -4.621 -0.000 0.000) 4.621 5.956 ( -1.795 -0.000 0.000) 1.795 6.254 ( 6.047 0.000 -0.000) 6.047 6.605 ( 0.122 0.000 -0.000) 0.122 6.617 ( -2.782 -0.000 0.000) 2.782 7.714 ( 4.414 0.000 -0.000) 4.414======================= Grid point 76 (49/288) =======================q-point: ( 0.36 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.948 ( 0.000 -0.269 -3.667) 3.677 2.118 ( 0.000 4.475 -7.824) 9.013 2.281 ( -0.000 12.170 2.394) 12.403 2.507 ( 0.000 1.681 -3.032) 3.467 2.827 ( 0.000 -4.772 4.037) 6.250 3.845 ( -0.000 18.206 4.178) 18.679 5.509 ( -0.000 4.469 0.427) 4.489 5.935 ( -0.000 1.866 -0.778) 2.022 6.139 ( -0.000 2.896 -0.167) 2.901 6.468 ( 0.000 -5.970 -2.208) 6.365 6.917 ( 0.000 -9.106 -0.387) 9.114 8.093 ( 0.000 -3.411 -1.511) 3.731======================= Grid point 77 (50/288) =======================q-point: ( 0.43 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.948 ( 1.894 1.201 -3.044) 3.780 2.139 ( 3.577 -0.671 -8.142) 8.918 2.459 ( 5.349 9.202 2.229) 10.874 2.540 ( 3.469 2.915 -2.042) 4.970 2.796 ( -0.517 -3.857 5.149) 6.455 4.018 ( -0.029 13.010 2.633) 13.274 5.611 ( 6.831 3.432 0.618) 7.670 5.939 ( -1.897 2.889 -1.608) 3.812 6.180 ( 1.000 3.357 -0.281) 3.514 6.410 ( 0.740 -5.846 -0.617) 5.925 6.820 ( -1.464 -7.088 -0.805) 7.282 8.019 ( -4.352 -2.473 -1.143) 5.134======================= Grid point 78 (51/288) =======================q-point: ( 0.50 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.034 ( 5.683 3.449 -0.727) 6.687 2.186 ( 5.320 -1.362 -4.686) 7.220 2.543 ( 0.315 2.421 0.958) 2.622 2.716 ( 0.440 2.216 0.908) 2.435 2.817 ( 12.774 1.164 2.097) 12.997 4.101 ( -2.872 6.727 0.804) 7.359 5.792 ( 8.599 2.919 1.022) 9.139 5.927 ( -1.666 2.731 -1.704) 3.624 6.223 ( 0.284 1.983 -1.312) 2.395 6.386 ( 3.301 -4.058 0.465) 5.252 6.726 ( -2.098 -4.530 -0.562) 5.024 7.898 ( -6.678 -1.316 -0.689) 6.842======================= Grid point 79 (52/288) =======================q-point: ( 0.57 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.175 ( 5.776 2.934 -0.283) 6.485 2.267 ( 5.798 0.280 -1.082) 5.905 2.565 ( 0.137 0.755 0.572) 0.957 2.655 ( -4.747 -1.732 1.396) 5.243 3.163 ( 19.405 4.066 0.185) 19.827 4.051 ( -7.562 1.361 -0.270) 7.688 5.905 ( -0.012 3.009 -0.542) 3.058 5.958 ( 4.529 -0.116 0.720) 4.587 6.197 ( -3.295 -0.545 -1.428) 3.632 6.477 ( 8.901 -0.357 0.214) 8.910 6.664 ( -1.485 -1.398 -0.033) 2.040 7.768 ( -6.600 -0.793 -0.267) 6.653======================= Grid point 80 (53/288) =======================q-point: (-0.36 -0.64 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.271 ( 3.927 0.000 -0.000) 3.927 2.372 ( 5.059 0.000 -0.000) 5.059 2.527 ( -6.626 -0.000 0.000) 6.626 2.584 ( -0.481 -0.000 0.000) 0.481 3.525 ( 18.454 0.000 -0.000) 18.454 3.875 ( -12.497 -0.000 0.000) 12.497 5.919 ( 0.519 0.000 -0.000) 0.519 6.037 ( 4.706 0.000 -0.000) 4.706 6.112 ( -5.235 -0.000 0.000) 5.235 6.625 ( 6.243 0.000 -0.000) 6.243 6.638 ( -1.155 -0.000 0.000) 1.155 7.670 ( -3.369 -0.000 0.000) 3.369======================= Grid point 92 (54/288) =======================q-point: ( 0.43 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.920 ( 0.000 -0.299 -2.691) 2.708 2.042 ( 0.000 -3.440 -9.295) 9.911 2.485 ( -0.000 6.558 1.542) 6.737 2.546 ( -0.000 2.312 0.060) 2.312 2.793 ( -0.000 -1.970 4.413) 4.833 4.142 ( -0.000 9.264 2.092) 9.498 5.571 ( -0.000 1.672 0.223) 1.686 5.983 ( -0.000 3.224 -2.065) 3.829 6.204 ( -0.000 2.986 -0.042) 2.987 6.351 ( 0.000 -4.926 1.141) 5.057 6.770 ( 0.000 -4.828 -1.222) 4.980 8.032 ( 0.000 -1.881 -0.747) 2.024======================= Grid point 93 (55/288) =======================q-point: ( 0.50 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.962 ( 5.172 1.580 -0.047) 5.408 2.036 ( 5.340 -3.314 -5.476) 8.336 2.563 ( -0.003 1.419 0.357) 1.463 2.616 ( 8.681 3.270 0.139) 9.278 2.774 ( -1.653 -1.159 2.519) 3.229 4.202 ( -1.703 4.286 0.869) 4.693 5.655 ( 7.758 0.927 0.192) 7.815 5.985 ( -2.107 2.049 -1.442) 3.274 6.234 ( 0.505 1.702 -0.198) 1.786 6.320 ( 0.769 -2.933 1.101) 3.226 6.718 ( -1.280 -2.424 -0.738) 2.839 7.981 ( -3.930 -0.837 -0.358) 4.034======================= Grid point 94 (56/288) =======================q-point: (-0.43 -0.57 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.090 ( 5.806 0.000 -0.000) 5.806 2.125 ( 8.862 0.000 -0.000) 8.862 2.569 ( -0.015 -0.000 0.000) 0.015 2.726 ( -3.600 -0.000 0.000) 3.600 2.857 ( 16.607 0.000 -0.000) 16.607 4.170 ( -4.643 -0.000 0.000) 4.643 5.824 ( 9.577 0.000 -0.000) 9.577 5.952 ( -2.285 -0.000 0.000) 2.285 6.237 ( -1.344 -0.000 0.000) 1.344 6.347 ( 4.615 0.000 -0.000) 4.615 6.679 ( -1.477 -0.000 0.000) 1.477 7.883 ( -6.536 -0.000 0.000) 6.536======================= Grid point 109 (57/288) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 400Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.908 ( -0.000 0.000 0.000) 0.000 1.966 ( -0.000 0.000 0.000) 0.000 2.556 ( -0.000 0.000 0.000) 0.000 2.571 ( -0.000 0.000 0.000) 0.000 2.788 ( -0.000 0.000 0.000) 0.000 4.241 ( -0.000 0.000 0.000) 0.000 5.587 ( -0.000 0.000 0.000) 0.000 6.014 ( -0.000 0.000 0.000) 0.000 6.237 ( -0.000 0.000 0.000) 0.000 6.301 ( -0.000 0.000 0.000) 0.000 6.717 ( -0.000 0.000 0.000) 0.000 8.010 ( -0.000 0.000 0.000) 0.000======================= Grid point 218 (58/288) =======================q-point: ( 0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.229 ( -0.000 -0.000 24.128) 24.128 0.229 ( -0.000 -0.000 24.128) 24.128 0.387 ( -0.000 -0.000 41.042) 41.042 2.121 ( 0.000 0.000 -2.104) 2.104 2.121 ( 0.000 0.000 -2.104) 2.104 3.997 ( 0.000 0.000 -5.808) 5.808 5.001 ( 0.000 -0.000 0.015) 0.015 5.001 ( -0.000 -0.000 0.015) 0.015 6.272 ( -0.000 -0.000 0.055) 0.055 6.272 ( -0.000 -0.000 0.055) 0.055 7.828 ( -0.000 -0.000 1.565) 1.565 8.336 ( 0.000 0.000 -0.553) 0.553======================= Grid point 219 (59/288) =======================q-point: ( 0.14 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.444 ( 14.976 8.647 7.649) 18.909 0.509 ( 13.845 7.993 13.607) 20.994 1.075 ( 33.243 19.193 21.275) 43.887 2.135 ( 1.141 0.659 -1.439) 1.951 2.154 ( 4.121 2.379 -4.377) 6.466 3.531 ( -5.278 -3.048 0.950) 6.169 5.036 ( 2.689 1.553 0.459) 3.139 6.239 ( -3.005 -1.735 0.084) 3.471 6.247 ( -1.994 -1.151 -0.116) 2.306 6.481 ( 23.869 13.781 -40.781) 49.221 7.775 ( -5.680 -3.279 3.820) 7.590 8.338 ( -0.716 -0.414 -5.203) 5.268======================= Grid point 220 (60/288) =======================q-point: ( 0.21 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.842 ( 17.463 10.082 1.155) 20.198 0.892 ( 16.222 9.366 2.912) 18.956 1.884 ( 30.185 17.427 15.762) 38.253 2.165 ( 1.739 1.004 -0.664) 2.115 2.276 ( 8.305 4.795 -7.693) 12.294 3.440 ( -3.037 -1.753 -2.082) 4.078 5.126 ( 4.905 2.832 0.720) 5.709 6.138 ( -5.410 -3.124 -0.242) 6.252 6.187 ( -2.892 -1.670 -0.256) 3.349 6.712 ( 7.785 4.495 -13.804) 16.473 7.611 ( -9.341 -5.393 5.533) 12.122 8.264 ( -3.908 -2.256 -7.513) 8.765======================= Grid point 221 (61/288) =======================q-point: ( 0.29 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.240 ( 16.633 9.603 -1.491) 19.264 1.261 ( 15.588 9.000 -3.447) 18.326 2.212 ( 2.417 1.395 0.288) 2.806 2.352 ( 7.733 4.465 1.930) 9.136 2.653 ( 23.955 13.831 -1.075) 27.682 3.388 ( -0.628 -0.363 2.212) 2.328 5.260 ( 6.227 3.595 0.788) 7.234 6.004 ( -5.537 -3.197 -0.655) 6.427 6.125 ( -2.136 -1.233 -0.350) 2.492 6.802 ( 2.505 1.446 -5.084) 5.849 7.389 ( -11.288 -6.517 5.640) 14.202 8.126 ( -5.128 -2.961 -8.873) 10.667======================= Grid point 222 (62/288) =======================q-point: ( 0.36 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.585 ( 13.408 7.741 -3.074) 15.784 1.588 ( 14.101 8.141 -7.332) 17.857 2.280 ( 3.323 1.919 1.374) 4.076 2.495 ( 5.353 3.091 -1.356) 6.328 3.018 ( 5.491 3.170 -2.290) 6.741 3.511 ( 10.953 6.324 7.732) 14.824 5.405 ( 5.647 3.260 0.699) 6.558 5.901 ( -2.717 -1.569 -1.061) 3.312 6.099 ( 0.249 0.144 -0.354) 0.456 6.793 ( -2.175 -1.256 -2.011) 3.217 7.119 ( -13.172 -7.605 2.902) 15.484 8.007 ( -2.531 -1.461 -6.647) 7.261======================= Grid point 223 (63/288) =======================q-point: ( 0.43 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.829 ( 8.502 4.909 -3.667) 10.480 1.870 ( 12.505 7.220 -8.760) 16.889 2.373 ( 3.994 2.306 2.065) 5.053 2.597 ( 3.718 2.147 -1.299) 4.485 3.003 ( -4.357 -2.516 2.597) 5.662 3.807 ( 10.461 6.040 4.351) 12.839 5.512 ( 3.359 1.939 0.466) 3.907 5.885 ( 1.761 1.017 -1.500) 2.527 6.135 ( 2.669 1.541 -0.215) 3.089 6.703 ( -5.949 -3.435 2.084) 7.178 6.817 ( -11.441 -6.605 -3.231) 13.600 7.970 ( 0.255 0.147 -2.733) 2.749======================= Grid point 224 (64/288) =======================q-point: ( 0.50 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.962 ( 4.124 2.381 -2.915) 5.584 2.113 ( 10.619 6.131 -8.144) 14.720 2.462 ( 2.706 1.562 1.784) 3.598 2.648 ( 0.711 0.410 -1.392) 1.616 2.887 ( -5.854 -3.380 4.478) 8.108 3.991 ( 4.572 2.639 2.598) 5.883 5.566 ( 1.309 0.756 0.224) 1.528 5.966 ( 5.332 3.078 -1.830) 6.423 6.200 ( 2.518 1.453 -0.043) 2.907 6.474 ( -11.511 -6.646 2.125) 13.460 6.677 ( -1.733 -1.001 -2.669) 3.336 7.981 ( 0.792 0.457 -0.581) 1.083======================= Grid point 225 (65/288) =======================q-point: (-0.43 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.014 ( 1.056 0.609 -1.288) 1.773 2.287 ( 4.642 2.680 -3.641) 6.479 2.492 ( -0.667 -0.385 0.847) 1.145 2.629 ( -0.597 -0.344 -0.750) 1.019 2.789 ( -3.063 -1.768 0.070) 3.537 4.046 ( -0.387 -0.224 2.450) 2.491 5.580 ( -0.060 -0.035 0.076) 0.103 6.077 ( 1.740 1.005 -0.803) 2.164 6.232 ( 0.016 0.009 0.045) 0.048 6.289 ( -1.850 -1.068 0.255) 2.151 6.668 ( 1.088 0.628 0.437) 1.330 7.994 ( 0.295 0.170 0.252) 0.424======================= Grid point 226 (66/288) =======================q-point: (-0.36 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.004 ( -2.044 -1.180 1.118) 2.612 2.249 ( -7.207 -4.161 5.540) 9.997 2.435 ( -4.056 -2.342 -0.762) 4.745 2.666 ( 0.240 0.139 0.582) 0.644 2.762 ( 4.560 2.633 -8.278) 9.810 3.980 ( -6.206 -3.583 1.597) 7.342 5.563 ( -1.485 -0.858 -0.048) 1.716 5.998 ( -5.154 -2.976 1.456) 6.127 6.202 ( -2.443 -1.411 0.086) 2.823 6.422 ( 9.783 5.648 -3.042) 11.699 6.731 ( 4.085 2.358 2.606) 5.389 8.002 ( 0.426 0.246 1.462) 1.543======================= Grid point 227 (67/288) =======================q-point: (-0.29 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.910 ( -7.322 -4.228 4.438) 9.549 2.045 ( -11.858 -6.846 8.906) 16.334 2.321 ( -4.574 -2.641 -3.202) 6.176 2.604 ( -3.973 -2.294 -0.526) 4.618 2.926 ( 9.004 5.198 -5.666) 11.841 3.750 ( -14.027 -8.099 -1.146) 16.238 5.505 ( -3.631 -2.096 -0.271) 4.201 5.914 ( -2.093 -1.208 1.426) 2.806 6.139 ( -2.526 -1.459 0.173) 2.922 6.631 ( 8.423 4.863 -4.770) 10.833 6.879 ( 7.871 4.544 2.649) 9.466 8.037 ( 2.158 1.246 3.798) 4.542======================= Grid point 228 (68/288) =======================q-point: (-0.21 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.680 ( -13.837 -7.989 6.670) 17.314 1.760 ( -15.297 -8.832 9.725) 20.163 2.226 ( -2.491 -1.438 -4.369) 5.231 2.486 ( -6.293 -3.633 -1.682) 7.459 3.089 ( 2.269 1.310 3.772) 4.593 3.345 ( -16.365 -9.448 -8.452) 20.701 5.392 ( -5.871 -3.389 -0.592) 6.805 5.920 ( 2.272 1.312 0.889) 2.770 6.106 ( -0.158 -0.091 0.314) 0.363 6.765 ( 4.477 2.585 -4.542) 6.881 7.095 ( 9.940 5.739 0.282) 11.481 8.130 ( 4.507 2.602 5.547) 7.606======================= Grid point 229 (69/288) =======================q-point: (-0.14 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.332 ( -17.702 -10.220 7.762) 21.864 1.401 ( -18.251 -10.537 9.623) 23.168 2.172 ( -1.239 -0.715 -3.954) 4.205 2.253 ( -15.332 -8.852 -5.141) 18.435 2.727 ( -22.048 -12.729 3.516) 25.700 3.321 ( 6.360 3.672 -4.065) 8.394 5.244 ( -6.280 -3.625 -0.819) 7.297 6.012 ( 5.138 2.966 0.163) 5.935 6.132 ( 2.113 1.220 0.390) 2.471 6.815 ( 1.177 0.680 -3.892) 4.123 7.329 ( 10.213 5.896 -0.378) 11.799 8.260 ( 4.783 2.761 4.471) 7.105======================= Grid point 230 (70/288) =======================q-point: (-0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.929 ( -19.098 -11.026 9.594) 24.049 0.984 ( -20.082 -11.594 9.715) 25.142 1.662 ( -32.065 -18.513 -5.423) 37.421 2.140 ( -0.602 -0.348 -3.315) 3.387 2.372 ( -10.379 -5.992 2.080) 12.164 3.442 ( 4.466 2.578 -1.540) 5.382 5.111 ( -4.747 -2.741 -0.790) 5.538 6.137 ( 5.196 3.000 -0.380) 6.012 6.193 ( 2.788 1.610 0.353) 3.239 6.805 ( -0.802 -0.463 -5.523) 5.600 7.559 ( 9.384 5.418 0.840) 10.868 8.358 ( 2.553 1.474 1.195) 3.181======================= Grid point 233 (71/288) =======================q-point: ( 0.14 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.618 ( -0.000 23.889 8.084) 25.220 0.676 ( -0.000 18.730 17.665) 25.746 1.012 ( -0.000 29.815 24.389) 38.520 2.088 ( 0.000 -0.516 -4.689) 4.717 2.182 ( -0.000 6.720 -2.543) 7.185 3.530 ( 0.000 -8.017 0.125) 8.018 5.023 ( -0.000 2.539 -0.331) 2.560 6.221 ( 0.000 -0.897 -4.480) 4.569 6.253 ( 0.000 -2.064 0.219) 2.075 6.356 ( -0.000 30.759 -36.947) 48.075 7.784 ( 0.000 -6.634 3.869) 7.680 8.340 ( 0.000 0.677 -4.737) 4.785======================= Grid point 234 (72/288) =======================q-point: ( 0.21 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.844 ( -1.354 18.429 16.410) 24.713 0.932 ( 4.729 24.403 1.994) 24.936 1.653 ( 24.229 25.023 16.524) 38.551 2.102 ( 3.678 -0.358 -4.774) 6.037 2.261 ( 1.199 9.326 -4.229) 10.310 3.440 ( -1.590 -4.473 -3.486) 5.889 5.088 ( 3.449 3.801 0.141) 5.135 6.166 ( -2.223 -5.016 -0.693) 5.529 6.208 ( -1.974 -2.420 0.087) 3.125 6.577 ( 8.078 11.218 -20.378) 24.624 7.676 ( -4.539 -9.218 5.245) 11.536 8.295 ( -3.442 -0.624 -6.280) 7.189======================= Grid point 235 (73/288) =======================q-point: ( 0.29 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.111 ( 6.826 15.293 9.315) 19.163 1.263 ( 6.590 21.527 -2.272) 22.628 2.162 ( 5.425 1.349 -3.477) 6.583 2.266 ( 11.215 7.885 7.758) 15.753 2.462 ( 14.750 19.875 -3.302) 24.969 3.377 ( 0.056 -2.920 -1.280) 3.189 5.211 ( 5.098 5.399 0.619) 7.452 6.051 ( -4.423 -4.933 -0.763) 6.669 6.149 ( -2.169 -1.696 -0.101) 2.756 6.722 ( 5.815 2.839 -9.281) 11.315 7.490 ( -7.484 -9.994 6.010) 13.857 8.172 ( -6.134 -2.109 -8.021) 10.316======================= Grid point 236 (74/288) =======================q-point: ( 0.36 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.412 ( 9.642 11.489 2.440) 15.196 1.571 ( 7.047 18.052 -4.531) 19.901 2.259 ( 3.888 3.840 -0.894) 5.537 2.426 ( 5.114 3.496 -1.448) 6.362 2.921 ( 11.794 10.959 -2.112) 16.238 3.426 ( 7.194 3.074 5.623) 9.635 5.367 ( 5.131 6.633 0.880) 8.432 5.930 ( -3.699 -3.434 -1.034) 5.152 6.109 ( -1.117 0.103 -0.337) 1.171 6.772 ( 1.710 -1.495 -4.808) 5.318 7.254 ( -10.399 -10.003 5.004) 15.273 8.022 ( -4.602 -2.375 -7.389) 9.023======================= Grid point 237 (75/288) =======================q-point: ( 0.43 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.681 ( 9.786 8.223 -1.981) 12.935 1.829 ( 5.766 14.009 -5.543) 16.131 2.369 ( 2.816 6.354 0.982) 7.019 2.537 ( 4.878 2.029 -1.524) 5.499 3.035 ( -0.581 -0.499 -0.311) 0.826 3.699 ( 11.593 7.778 5.271) 14.922 5.511 ( 2.859 6.981 0.880) 7.595 5.867 ( -0.246 -1.061 -1.363) 1.745 6.118 ( 1.122 1.941 -0.400) 2.277 6.733 ( -1.474 -2.942 -3.057) 4.492 6.958 ( -13.335 -9.270 1.704) 16.329 7.942 ( -0.006 -2.079 -3.723) 4.264======================= Grid point 238 (76/288) =======================q-point: ( 0.50 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.893 ( 6.871 5.571 -2.805) 9.280 2.025 ( 5.656 10.309 -6.587) 13.477 2.480 ( 1.277 6.944 1.923) 7.318 2.617 ( 2.938 0.717 -1.421) 3.341 2.969 ( -4.962 -2.147 2.578) 5.990 3.936 ( 6.779 4.242 3.074) 8.567 5.604 ( -0.404 6.847 0.607) 6.886 5.895 ( 3.983 0.856 -1.670) 4.403 6.175 ( 2.508 2.432 -0.189) 3.499 6.636 ( -13.245 -6.233 2.292) 14.816 6.675 ( -1.347 -2.863 -4.008) 5.106 7.939 ( 2.387 -2.283 -0.946) 3.436======================= Grid point 239 (77/288) =======================q-point: ( 0.57 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.004 ( 1.816 3.696 -2.038) 4.595 2.205 ( 6.897 6.782 -6.320) 11.554 2.541 ( -1.928 3.777 2.268) 4.809 2.639 ( -0.041 0.242 -1.184) 1.210 2.861 ( -6.117 -0.243 1.300) 6.258 4.045 ( 2.076 0.963 2.971) 3.750 5.643 ( -2.826 6.484 0.317) 7.080 5.993 ( 6.043 0.476 -1.499) 6.244 6.237 ( 1.846 2.423 -0.078) 3.047 6.377 ( -9.686 -3.768 0.472) 10.404 6.652 ( 0.648 -0.415 -0.368) 0.853 7.957 ( 2.419 -2.747 0.026) 3.660======================= Grid point 240 (78/288) =======================q-point: (-0.36 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.030 ( -1.249 1.479 -0.615) 2.031 2.309 ( -0.093 0.858 -0.811) 1.185 2.505 ( -3.903 0.260 0.866) 4.006 2.648 ( 0.911 1.978 -0.681) 2.282 2.773 ( -4.584 2.806 -3.751) 6.554 4.046 ( -3.083 -1.526 2.977) 4.549 5.640 ( -4.450 5.359 0.147) 6.967 6.027 ( -1.160 -4.150 0.516) 4.340 6.238 ( -3.280 -0.329 0.012) 3.297 6.341 ( 5.502 5.938 -1.672) 8.266 6.686 ( 3.134 0.447 1.549) 3.524 7.968 ( 2.245 -2.922 0.708) 3.752======================= Grid point 241 (79/288) =======================q-point: (-0.29 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.979 ( -4.716 -2.770 2.212) 5.900 2.217 ( -8.737 -2.139 5.306) 10.444 2.417 ( -7.090 1.076 -1.729) 7.377 2.637 ( -2.825 -2.694 0.275) 3.913 2.819 ( 6.237 7.232 -7.318) 12.031 3.908 ( -10.783 -4.444 1.496) 11.758 5.593 ( -5.955 3.160 0.020) 6.742 5.943 ( -2.875 -3.019 1.277) 4.360 6.180 ( -3.264 -0.498 0.150) 3.305 6.529 ( 8.087 6.629 -4.263) 11.292 6.787 ( 6.845 1.376 2.686) 7.481 7.993 ( 3.440 -2.153 2.208) 4.620======================= Grid point 242 (80/288) =======================q-point: (-0.21 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.805 ( -10.444 -8.439 5.918) 14.674 2.023 ( -13.821 -1.237 6.131) 15.170 2.296 ( -6.766 2.084 -3.761) 8.017 2.541 ( -4.544 -3.305 -0.654) 5.657 3.006 ( 8.912 5.437 -3.599) 11.043 3.580 ( -20.051 -7.586 -1.094) 21.466 5.493 ( -7.655 0.489 -0.161) 7.673 5.904 ( 0.395 -0.510 0.953) 1.151 6.127 ( -2.234 0.290 0.188) 2.261 6.691 ( 5.805 3.940 -5.017) 8.625 6.965 ( 10.064 2.702 1.568) 10.538 8.068 ( 5.677 -0.532 3.646) 6.768======================= Grid point 243 (81/288) =======================q-point: (-0.14 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.494 ( -15.689 -11.447 7.524) 20.827 1.746 ( -18.668 -1.089 5.457) 19.479 2.211 ( -4.272 2.296 -4.036) 6.310 2.393 ( -8.939 -3.913 -1.218) 9.834 3.062 ( -26.167 -7.672 3.514) 27.493 3.210 ( 7.788 2.628 -6.219) 10.307 5.346 ( -8.385 -1.078 -0.338) 8.461 5.952 ( 4.176 1.258 0.298) 4.372 6.118 ( 0.432 0.863 0.224) 0.990 6.778 ( 2.811 1.681 -4.611) 5.656 7.185 ( 11.331 3.023 0.714) 11.749 8.190 ( 6.643 0.345 2.839) 7.232======================= Grid point 244 (82/288) =======================q-point: (-0.07 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.103 ( -18.252 -11.504 8.389) 23.149 1.388 ( -22.458 -2.051 3.184) 22.775 2.075 ( -25.126 -3.594 0.727) 25.393 2.163 ( -2.763 1.776 -3.543) 4.832 2.561 ( -19.203 -5.411 -0.043) 19.950 3.361 ( 6.603 2.043 -1.646) 7.105 5.196 ( -7.238 -0.830 -0.301) 7.291 6.059 ( 6.051 1.453 -0.283) 6.229 6.154 ( 2.556 0.504 0.209) 2.614 6.798 ( -0.113 0.879 -5.379) 5.452 7.417 ( 11.574 2.348 1.727) 11.936 8.300 ( 5.099 -0.441 -0.349) 5.129======================= Grid point 248 (83/288) =======================q-point: ( 0.21 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.134 ( -0.000 22.779 5.903) 23.532 1.157 ( -0.000 19.258 13.519) 23.529 1.760 ( -0.000 30.641 15.157) 34.185 2.043 ( 0.000 -0.316 -6.789) 6.797 2.347 ( -0.000 11.897 -4.802) 12.829 3.388 ( 0.000 -5.504 -4.222) 6.936 5.101 ( -0.000 5.436 -0.267) 5.443 6.125 ( 0.000 -5.614 -0.827) 5.675 6.199 ( 0.000 -3.204 0.192) 3.210 6.565 ( 0.000 10.250 -16.679) 19.577 7.623 ( 0.000 -11.733 4.982) 12.747 8.305 ( 0.000 -0.825 -5.903) 5.960======================= Grid point 249 (84/288) =======================q-point: ( 0.29 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.322 ( -3.380 19.179 13.444) 23.664 1.413 ( 2.024 21.803 1.043) 21.921 2.059 ( 4.954 1.545 -7.182) 8.861 2.204 ( 10.568 15.612 10.897) 21.775 2.496 ( 4.313 19.589 -6.401) 21.054 3.327 ( 0.583 -4.317 -2.064) 4.821 5.195 ( 3.659 6.734 0.245) 7.668 6.049 ( -1.940 -5.681 -0.644) 6.038 6.157 ( -1.047 -2.514 0.071) 2.724 6.635 ( 3.820 3.969 -10.418) 11.785 7.485 ( -3.248 -12.584 4.984) 13.920 8.231 ( -4.741 -1.802 -6.435) 8.193======================= Grid point 250 (85/288) =======================q-point: ( 0.36 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.503 ( -0.546 16.219 8.668) 18.398 1.663 ( 3.265 19.325 -1.856) 19.686 2.181 ( 8.043 3.724 -4.657) 10.013 2.403 ( 2.642 4.968 0.658) 5.665 2.851 ( 10.080 15.911 -4.192) 19.297 3.355 ( 5.547 2.362 4.452) 7.495 5.354 ( 5.388 8.226 1.009) 9.885 5.948 ( -3.166 -4.361 -0.948) 5.472 6.125 ( -0.683 -0.509 -0.306) 0.905 6.689 ( 3.478 -1.357 -6.334) 7.352 7.298 ( -5.740 -12.239 4.787) 14.341 8.080 ( -6.974 -2.430 -6.546) 9.868======================= Grid point 251 (86/288) =======================q-point: ( 0.43 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.682 ( 2.732 12.383 2.986) 13.028 1.890 ( 3.066 15.443 -2.847) 15.999 2.363 ( 7.001 7.275 -1.359) 10.188 2.486 ( 2.740 3.473 -0.586) 4.462 3.013 ( 2.564 0.733 -3.034) 4.040 3.606 ( 10.727 10.232 5.188) 15.706 5.536 ( 4.477 9.241 1.602) 10.393 5.865 ( -1.817 -2.090 -1.344) 3.078 6.126 ( 0.317 1.871 -0.872) 2.088 6.684 ( 1.313 -4.035 -4.826) 6.426 7.068 ( -9.075 -10.740 3.480) 14.485 7.934 ( -3.980 -2.792 -4.510) 6.631======================= Grid point 252 (87/288) =======================q-point: ( 0.50 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.865 ( 4.474 9.905 0.431) 10.877 2.053 ( 2.085 10.780 -3.993) 11.684 2.535 ( 3.601 7.126 0.396) 7.994 2.567 ( 2.630 3.238 0.411) 4.192 3.016 ( -0.904 -0.224 0.003) 0.931 3.866 ( 7.580 5.985 2.392) 9.950 5.687 ( 1.351 9.127 1.697) 9.381 5.847 ( 1.421 0.362 -1.643) 2.202 6.165 ( 1.516 2.847 -1.110) 3.411 6.639 ( 0.080 -3.921 -4.500) 5.969 6.799 ( -11.567 -7.221 2.399) 13.846 7.868 ( 0.967 -3.662 -1.618) 4.119======================= Grid point 253 (88/288) =======================q-point: ( 0.57 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.019 ( 2.374 7.692 -0.538) 8.068 2.172 ( 3.178 7.576 -4.471) 9.353 2.602 ( 0.235 0.354 -0.121) 0.442 2.637 ( 0.206 2.756 2.523) 3.742 2.995 ( -4.839 6.237 -0.404) 7.905 4.007 ( 4.284 0.990 2.009) 4.834 5.775 ( -1.989 8.684 1.115) 8.978 5.903 ( 4.154 1.215 -1.452) 4.565 6.219 ( 2.314 1.727 -0.834) 3.005 6.509 ( -9.182 -4.432 -1.691) 10.335 6.648 ( -1.164 -0.218 0.623) 1.338 7.865 ( 3.262 -4.641 -0.225) 5.677======================= Grid point 254 (89/288) =======================q-point: (-0.36 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.085 ( -1.746 5.025 -0.637) 5.358 2.287 ( 3.625 4.433 -3.867) 6.910 2.561 ( -3.223 -2.064 1.856) 4.254 2.649 ( 0.207 -1.281 0.834) 1.543 2.961 ( -8.945 11.253 -2.449) 14.582 4.059 ( 1.203 -1.567 2.779) 3.409 5.798 ( -5.049 7.482 0.517) 9.041 5.973 ( 3.020 -1.503 -0.472) 3.406 6.275 ( 2.025 0.268 -0.939) 2.249 6.354 ( -4.475 2.912 -0.060) 5.340 6.655 ( 1.040 0.454 0.506) 1.243 7.876 ( 3.576 -5.128 0.223) 6.256======================= Grid point 255 (90/288) =======================q-point: (-0.29 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.056 ( -5.175 0.839 0.435) 5.261 2.317 ( -2.777 0.303 0.431) 2.827 2.503 ( -2.212 -0.198 -0.945) 2.414 2.638 ( 0.218 -2.204 1.102) 2.474 2.902 ( -8.063 10.610 -4.262) 13.991 4.020 ( -4.838 -2.715 2.406) 6.047 5.754 ( -6.988 4.627 0.354) 8.388 5.955 ( -1.612 -3.015 0.575) 3.466 6.246 ( -3.502 1.425 0.361) 3.798 6.455 ( 6.552 6.528 -3.245) 9.802 6.700 ( 4.073 -0.333 1.866) 4.493 7.894 ( 4.292 -4.548 0.874) 6.315======================= Grid point 256 (91/288) =======================q-point: (-0.21 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.923 ( -8.879 -3.872 2.685) 10.052 2.222 ( -8.400 -0.288 2.052) 8.652 2.442 ( -5.984 2.562 -2.423) 6.946 2.583 ( -4.180 -2.861 1.303) 5.230 2.930 ( 3.202 6.678 -4.056) 8.444 3.831 ( -14.235 -3.655 1.122) 14.740 5.654 ( -8.554 2.024 0.452) 8.802 5.902 ( -1.181 -1.585 0.451) 2.027 6.193 ( -4.219 1.518 0.126) 4.485 6.617 ( 6.021 4.930 -4.785) 9.135 6.817 ( 8.896 -0.011 2.472) 9.234 7.951 ( 6.297 -2.859 1.466) 7.069======================= Grid point 257 (92/288) =======================q-point: (-0.14 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.688 ( -13.763 -5.697 4.120) 15.455 2.026 ( -13.854 -1.290 0.606) 13.927 2.341 ( -7.826 3.779 -2.489) 9.040 2.477 ( -4.886 -2.667 0.911) 5.641 3.078 ( 7.968 3.050 -3.137) 9.090 3.465 ( -23.671 -2.960 1.637) 23.911 5.505 ( -9.829 0.364 0.466) 9.847 5.900 ( 2.141 -0.276 -0.091) 2.160 6.144 ( -2.464 0.765 -0.093) 2.582 6.726 ( 3.969 2.582 -3.778) 6.058 7.008 ( 11.440 0.670 1.610) 11.572 8.059 ( 7.828 -1.584 0.387) 7.996======================= Grid point 258 (93/288) =======================q-point: (-0.07 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.370 ( -18.016 -3.792 4.070) 18.855 1.719 ( -18.779 -3.054 -2.372) 19.173 2.246 ( -5.496 2.089 -1.913) 6.182 2.357 ( -8.866 0.728 2.422) 9.219 2.950 ( -26.045 -1.605 -4.508) 26.481 3.268 ( 5.004 2.791 3.772) 6.859 5.339 ( -9.256 0.245 0.478) 9.271 5.964 ( 5.149 -0.192 -0.515) 5.178 6.129 ( 0.404 -0.145 -0.105) 0.442 6.787 ( 1.662 1.883 -3.237) 4.097 7.226 ( 12.287 0.085 2.323) 12.505 8.172 ( 7.170 -2.005 -2.749) 7.937======================= Grid point 263 (94/288) =======================q-point: ( 0.29 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.590 ( -0.000 19.394 2.885) 19.607 1.608 ( -0.000 17.990 10.183) 20.672 1.993 ( 0.000 0.082 -8.104) 8.105 2.305 ( -0.000 12.936 7.608) 15.007 2.643 ( -0.000 22.282 -8.289) 23.774 3.279 ( 0.000 -2.294 1.222) 2.599 5.233 ( -0.000 7.578 0.147) 7.579 6.010 ( 0.000 -5.047 -0.183) 5.051 6.138 ( 0.000 -2.598 -0.026) 2.598 6.605 ( 0.000 1.974 -8.356) 8.586 7.393 ( 0.000 -13.579 3.909) 14.130 8.236 ( 0.000 -2.288 -5.690) 6.133======================= Grid point 264 (95/288) =======================q-point: ( 0.36 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.729 ( -3.918 14.059 3.009) 14.901 1.818 ( 0.879 17.134 4.922) 17.848 2.055 ( 8.164 3.844 -6.566) 11.160 2.423 ( 1.334 5.267 0.261) 5.440 2.857 ( 4.288 12.262 -7.088) 14.798 3.340 ( 3.480 8.655 6.823) 11.557 5.352 ( 4.329 8.225 0.698) 9.321 5.948 ( -1.835 -3.691 -0.435) 4.145 6.118 ( 0.207 -1.022 -0.232) 1.069 6.606 ( 1.930 -1.621 -5.775) 6.301 7.248 ( -2.257 -13.272 3.141) 13.824 8.147 ( -5.045 -2.650 -5.310) 7.789======================= Grid point 265 (96/288) =======================q-point: ( 0.43 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.800 ( -1.017 10.030 0.432) 10.090 2.001 ( 1.088 13.094 1.211) 13.194 2.278 ( 10.134 8.628 -1.661) 13.412 2.488 ( 2.026 4.151 -1.736) 4.935 2.948 ( 3.098 -1.097 -3.143) 4.547 3.592 ( 6.801 15.101 5.199) 17.359 5.540 ( 6.337 8.929 1.582) 11.063 5.879 ( -2.403 -1.692 -1.103) 3.139 6.128 ( 0.956 1.304 -0.917) 1.858 6.594 ( 1.976 -4.392 -4.233) 6.411 7.074 ( -4.145 -11.943 2.531) 12.892 7.995 ( -6.979 -2.587 -4.295) 8.593======================= Grid point 266 (97/288) =======================q-point: ( 0.50 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.914 ( 2.492 9.446 0.594) 9.787 2.124 ( 0.793 8.744 -1.556) 8.917 2.488 ( 5.039 3.774 0.534) 6.319 2.599 ( 3.643 8.302 0.580) 9.084 2.980 ( 4.190 -1.056 -0.830) 4.400 3.835 ( 4.791 9.403 1.714) 10.691 5.732 ( 4.218 8.007 2.411) 9.366 5.842 ( -0.300 1.256 -1.616) 2.069 6.166 ( 1.211 2.679 -2.022) 3.568 6.567 ( 1.797 -4.396 -3.474) 5.884 6.882 ( -6.408 -9.132 1.929) 11.322 7.854 ( -4.265 -2.902 -2.335) 5.662======================= Grid point 267 (98/288) =======================q-point: ( 0.57 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.063 ( 3.080 9.097 0.598) 9.623 2.204 ( 0.637 6.317 -2.078) 6.680 2.569 ( 2.584 0.534 -0.000) 2.639 2.677 ( -1.213 0.127 3.034) 3.270 3.103 ( 3.636 10.568 -0.693) 11.198 3.952 ( 2.568 1.492 0.293) 2.985 5.828 ( 1.891 2.794 0.186) 3.379 5.906 ( 1.140 6.570 0.671) 6.702 6.195 ( 0.871 0.466 -2.497) 2.686 6.552 ( -0.038 -1.102 -2.854) 3.059 6.705 ( -5.729 -3.788 1.912) 7.129 7.780 ( 0.170 -4.218 -0.692) 4.278======================= Grid point 268 (99/288) =======================q-point: ( 0.64 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.179 ( -0.667 7.954 0.197) 7.985 2.270 ( 1.944 4.394 -2.167) 5.271 2.587 ( -1.169 -1.246 0.123) 1.713 2.625 ( -0.755 -4.592 2.449) 5.259 3.234 ( -5.440 16.079 -1.492) 17.039 3.989 ( 3.752 -3.997 1.236) 5.620 5.898 ( 2.745 2.465 -0.283) 3.700 5.952 ( -2.650 4.020 0.548) 4.846 6.206 ( 3.160 -2.335 -1.410) 4.174 6.494 ( -5.959 3.803 -0.298) 7.075 6.658 ( -0.136 0.678 0.156) 0.709 7.760 ( 2.945 -5.380 -0.063) 6.134======================= Grid point 269 (100/288) =======================q-point: (-0.29 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.182 ( -6.146 4.163 0.219) 7.426 2.333 ( 1.324 2.100 -1.885) 3.116 2.521 ( -1.702 -2.663 1.334) 3.431 2.607 ( 0.833 -2.199 0.477) 2.399 3.207 ( -12.933 12.413 -1.964) 18.034 4.016 ( 2.617 -3.916 1.722) 5.015 5.900 ( -5.708 1.553 0.343) 5.925 5.946 ( 0.539 -0.113 -0.041) 0.552 6.260 ( 4.222 -0.592 -0.602) 4.306 6.474 ( -2.430 7.855 -0.392) 8.231 6.661 ( 0.345 -0.616 0.186) 0.730 7.771 ( 4.273 -4.883 0.175) 6.490======================= Grid point 270 (101/288) =======================q-point: (-0.21 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.062 ( -9.165 -0.526 0.819) 9.217 2.323 ( -3.410 0.050 -1.145) 3.598 2.500 ( -0.625 0.769 -0.196) 1.010 2.607 ( 0.294 -1.539 1.688) 2.303 3.066 ( -11.356 6.216 -1.614) 13.047 3.976 ( -4.935 -2.203 0.793) 5.462 5.803 ( -6.576 0.380 0.650) 6.619 5.922 ( -2.313 -0.627 -0.037) 2.397 6.282 ( -2.634 1.169 -0.589) 2.942 6.562 ( 4.091 6.078 -3.107) 7.958 6.686 ( 5.052 -2.487 2.168) 6.034 7.818 ( 5.662 -2.768 0.152) 6.304======================= Grid point 271 (102/288) =======================q-point: (-0.14 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.876 ( -11.237 -1.603 0.974) 11.392 2.206 ( -8.783 -1.407 -2.300) 9.187 2.493 ( -3.204 3.563 -0.991) 4.893 2.542 ( -6.353 -2.611 2.555) 7.328 3.007 ( 1.108 1.826 -0.584) 2.214 3.793 ( -14.699 -0.311 0.789) 14.724 5.676 ( -8.814 -0.125 1.025) 8.874 5.882 ( -0.806 -0.337 -0.749) 1.151 6.211 ( -4.627 -0.204 -0.782) 4.697 6.672 ( 4.070 2.913 -2.763) 5.717 6.815 ( 10.745 -1.690 2.071) 11.073 7.910 ( 6.999 -0.985 -1.035) 7.143======================= Grid point 272 (103/288) =======================q-point: (-0.07 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.647 ( -14.471 0.553 0.021) 14.481 1.972 ( -14.731 -2.551 -4.565) 15.632 2.374 ( -8.291 -0.657 0.565) 8.336 2.477 ( -3.779 2.495 0.838) 4.606 3.075 ( 3.544 -0.898 -2.835) 4.627 3.503 ( -19.492 4.057 4.935) 20.512 5.510 ( -9.720 -0.352 0.992) 9.776 5.890 ( 2.285 -0.302 -1.123) 2.564 6.140 ( -2.362 -0.888 -0.514) 2.575 6.751 ( 3.505 1.336 -1.548) 4.058 7.009 ( 12.444 -1.881 2.019) 12.746 8.017 ( 6.874 -1.114 -3.782) 7.924======================= Grid point 278 (104/288) =======================q-point: ( 0.36 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.921 ( -0.000 12.765 -2.956) 13.103 1.935 ( 0.000 0.831 -2.277) 2.424 2.010 ( -0.000 14.901 1.520) 14.978 2.452 ( -0.000 3.235 -2.811) 4.285 2.883 ( -0.000 2.922 -2.926) 4.135 3.469 ( -0.000 17.905 7.366) 19.361 5.390 ( -0.000 7.318 0.525) 7.337 5.935 ( 0.000 -2.049 -0.348) 2.078 6.107 ( 0.000 -0.063 -0.249) 0.257 6.552 ( 0.000 -2.978 -3.967) 4.961 7.141 ( 0.000 -12.918 1.566) 13.012 8.150 ( 0.000 -2.877 -4.422) 5.276======================= Grid point 279 (105/288) =======================q-point: ( 0.43 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.889 ( -1.630 4.095 -4.621) 6.386 2.066 ( 3.506 5.509 -3.577) 7.446 2.227 ( 6.949 13.779 1.898) 15.549 2.480 ( 1.523 2.637 -3.127) 4.365 2.890 ( 0.764 -2.550 1.838) 3.235 3.703 ( 2.291 18.407 4.820) 19.165 5.512 ( 5.656 6.661 0.851) 8.780 5.904 ( -1.863 -0.230 -1.053) 2.152 6.122 ( 0.885 1.764 -0.455) 2.026 6.514 ( 0.865 -4.530 -2.254) 5.133 7.007 ( -1.548 -11.543 0.530) 11.658 8.065 ( -4.802 -2.593 -3.524) 6.496======================= Grid point 280 (106/288) =======================q-point: ( 0.50 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.941 ( 3.029 5.616 -2.146) 6.732 2.153 ( 3.088 3.446 -3.435) 5.763 2.468 ( 3.742 6.665 2.303) 7.983 2.582 ( 7.667 7.824 -1.934) 11.124 2.882 ( 2.581 -4.167 2.816) 5.653 3.905 ( 1.026 12.688 1.738) 12.848 5.707 ( 7.844 6.181 1.510) 10.100 5.870 ( -1.865 1.616 -1.690) 2.991 6.165 ( 1.248 2.865 -1.366) 3.411 6.480 ( 1.651 -4.858 -1.120) 5.251 6.865 ( -2.679 -9.380 0.123) 9.756 7.928 ( -6.801 -1.929 -2.288) 7.430======================= Grid point 281 (107/288) =======================q-point: ( 0.57 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.074 ( 4.923 6.629 -0.391) 8.267 2.228 ( 2.699 3.325 -1.846) 4.664 2.543 ( 1.532 1.708 1.059) 2.527 2.704 ( -1.410 -0.462 2.034) 2.518 3.036 ( 13.649 6.898 0.655) 15.307 3.985 ( -2.483 5.118 -0.438) 5.705 5.838 ( 0.398 3.018 -0.107) 3.046 5.917 ( 4.551 4.575 0.605) 6.482 6.190 ( -0.587 0.928 -2.601) 2.823 6.492 ( 4.393 -1.454 -0.602) 4.666 6.736 ( -3.066 -5.927 0.441) 6.688 7.794 ( -5.425 -1.946 -1.033) 5.855======================= Grid point 282 (108/288) =======================q-point: ( 0.64 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.215 ( 3.967 5.505 -0.849) 6.838 2.301 ( 1.283 4.705 0.103) 4.878 2.576 ( 0.979 -0.173 0.584) 1.153 2.622 ( -3.993 -5.311 1.605) 6.836 3.366 ( 10.086 13.174 0.284) 16.593 3.929 ( -3.986 -3.266 -0.724) 5.204 5.879 ( 1.500 2.854 -0.629) 3.285 6.016 ( 1.547 2.927 1.638) 3.694 6.147 ( -1.464 -2.850 -2.225) 3.900 6.574 ( 2.127 3.359 -1.090) 4.122 6.661 ( -0.663 -1.616 1.016) 2.021 7.701 ( -1.967 -2.966 -0.289) 3.571======================= Grid point 283 (109/288) =======================q-point: (-0.29 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.306 ( 1.507 3.413 -1.555) 4.042 2.347 ( -3.522 5.174 0.913) 6.325 2.501 ( -1.083 -6.919 1.253) 7.114 2.584 ( 0.138 -0.402 0.002) 0.425 3.543 ( -9.681 13.598 -0.721) 16.707 3.863 ( 7.326 -8.387 0.523) 11.148 5.926 ( 1.133 0.822 -0.278) 1.427 6.011 ( -4.846 1.557 0.448) 5.110 6.145 ( 5.784 -2.163 -0.669) 6.211 6.596 ( -2.171 4.159 0.438) 4.712 6.665 ( -0.694 0.044 -0.456) 0.832 7.671 ( 1.971 -2.732 -0.038) 3.369======================= Grid point 284 (110/288) =======================q-point: (-0.21 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.228 ( -9.563 -0.245 0.159) 9.568 2.346 ( -0.092 0.234 -1.736) 1.754 2.498 ( 2.085 0.065 2.161) 3.004 2.584 ( 0.551 -0.267 0.190) 0.641 3.355 ( -15.977 1.080 0.152) 16.014 3.958 ( 4.877 -0.925 -0.387) 4.979 5.899 ( -4.380 -0.077 -0.099) 4.381 5.959 ( -2.041 -0.000 0.563) 2.117 6.247 ( 5.801 0.017 -1.540) 6.002 6.610 ( -0.150 1.867 0.817) 2.043 6.615 ( -2.410 -1.623 -0.426) 2.937 7.714 ( 4.360 -0.130 -0.168) 4.366======================= Grid point 285 (111/288) =======================q-point: (-0.14 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.052 ( -9.810 -0.574 -0.161) 9.828 2.296 ( -4.479 -1.023 -3.361) 5.693 2.541 ( 0.107 1.774 3.023) 3.507 2.595 ( -0.148 -0.340 0.715) 0.805 3.094 ( -10.717 -3.473 1.199) 11.329 3.961 ( -4.452 0.836 -0.766) 4.594 5.805 ( -6.415 -0.620 0.766) 6.490 5.914 ( -2.749 0.063 -0.714) 2.841 6.267 ( -2.396 -1.399 -1.929) 3.379 6.622 ( 7.802 -5.081 2.007) 9.524 6.642 ( 1.447 2.748 -1.457) 3.431 7.807 ( 5.051 2.094 -0.925) 5.546======================= Grid point 286 (112/288) =======================q-point: (-0.07 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.877 ( -10.779 1.949 -1.764) 11.095 2.146 ( -9.764 -1.801 -5.196) 11.206 2.501 ( -7.055 -3.134 3.049) 8.300 2.566 ( -2.777 3.802 -0.454) 4.731 2.994 ( 2.158 -3.163 2.381) 4.509 3.830 ( -12.011 3.083 1.094) 12.448 5.660 ( -8.411 -2.368 1.034) 8.799 5.881 ( -1.219 1.118 -1.669) 2.350 6.184 ( -3.842 -1.171 -0.833) 4.102 6.686 ( 3.952 -1.565 1.226) 4.424 6.772 ( 11.582 -2.701 -1.112) 11.945 7.911 ( 4.635 2.164 -2.564) 5.722======================= Grid point 293 (113/288) =======================q-point: ( 0.43 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.908 ( 0.000 0.303 -4.608) 4.618 2.028 ( 0.000 2.350 -10.686) 10.941 2.308 ( -0.000 11.563 3.026) 11.953 2.488 ( -0.000 3.079 -1.087) 3.266 2.872 ( -0.000 -3.143 5.252) 6.121 3.882 ( -0.000 17.030 3.573) 17.401 5.513 ( -0.000 4.373 0.465) 4.397 5.924 ( -0.000 1.422 -1.615) 2.152 6.137 ( -0.000 2.969 -0.213) 2.977 6.457 ( 0.000 -4.833 -0.046) 4.833 6.911 ( 0.000 -9.803 -1.005) 9.855 8.073 ( 0.000 -2.448 -2.690) 3.637======================= Grid point 294 (114/288) =======================q-point: ( 0.50 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.919 ( 2.551 2.326 -2.880) 4.496 2.060 ( 5.659 -0.863 -8.328) 10.105 2.479 ( 5.868 8.946 1.985) 10.881 2.529 ( 2.091 3.339 -0.415) 3.962 2.846 ( -0.771 -3.915 5.329) 6.658 4.038 ( -0.487 12.252 1.550) 12.359 5.616 ( 7.081 3.264 0.460) 7.811 5.921 ( -1.867 2.650 -2.032) 3.826 6.177 ( 0.713 3.443 -0.377) 3.536 6.413 ( 0.445 -4.972 1.238) 5.143 6.809 ( -1.190 -7.367 -1.579) 7.628 8.005 ( -4.309 -1.702 -1.766) 4.958======================= Grid point 295 (115/288) =======================q-point: ( 0.57 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.030 ( 5.968 4.434 -0.183) 7.437 2.144 ( 7.017 -0.809 -4.192) 8.214 2.552 ( 0.321 1.918 0.989) 2.181 2.717 ( 3.652 3.401 -0.398) 5.006 2.847 ( 8.991 -0.683 3.946) 9.842 4.103 ( -3.358 6.495 -0.290) 7.317 5.799 ( 8.968 2.565 0.600) 9.347 5.911 ( -1.466 3.051 -1.665) 3.772 6.212 ( -0.401 2.255 -0.995) 2.497 6.395 ( 3.018 -3.744 1.437) 5.019 6.718 ( -1.673 -4.450 -1.118) 4.884 7.891 ( -6.595 -0.805 -0.874) 6.701======================= Grid point 296 (116/288) =======================q-point: ( 0.64 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.174 ( 5.385 3.127 0.021) 6.227 2.258 ( 6.663 1.078 -0.909) 6.811 2.570 ( 0.218 0.327 0.576) 0.697 2.665 ( -4.843 -2.695 0.719) 5.589 3.168 ( 19.279 3.698 0.987) 19.655 4.046 ( -7.728 1.710 -0.930) 7.969 5.900 ( -0.264 3.164 -0.487) 3.213 5.963 ( 5.198 -0.376 0.332) 5.222 6.187 ( -3.505 0.498 -0.675) 3.604 6.479 ( 8.378 -0.496 0.238) 8.397 6.663 ( -1.077 -1.379 -0.077) 1.751 7.765 ( -6.543 -0.519 -0.271) 6.569======================= Grid point 297 (117/288) =======================q-point: (-0.29 -0.57 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.274 ( 3.815 0.953 0.532) 3.968 2.370 ( 5.154 -0.170 -0.445) 5.176 2.525 ( -6.571 -1.624 -0.359) 6.778 2.584 ( -0.464 -0.031 0.006) 0.465 3.527 ( 18.309 -0.609 0.264) 18.321 3.874 ( -12.373 0.869 -0.179) 12.405 5.919 ( 0.492 0.580 0.150) 0.775 6.033 ( 4.385 -1.664 -0.794) 4.757 6.116 ( -4.958 1.810 0.910) 5.356 6.619 ( 4.817 1.220 -0.978) 5.064 6.644 ( 0.274 -1.260 0.933) 1.592 7.670 ( -3.369 0.150 0.020) 3.372======================= Grid point 298 (118/288) =======================q-point: (-0.21 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.332 ( 2.039 -0.004 0.703) 2.157 2.335 ( -4.439 -7.452 -0.176) 8.676 2.479 ( -0.005 4.909 -0.797) 4.973 2.584 ( 0.181 0.397 -0.008) 0.436 3.554 ( -8.448 -13.070 0.363) 15.567 3.855 ( 5.893 8.150 -0.273) 10.061 5.931 ( 0.625 -0.255 0.182) 0.699 6.006 ( -3.370 -2.447 -0.153) 4.167 6.152 ( 4.178 3.343 0.172) 5.353 6.592 ( -2.577 -4.204 -0.086) 4.932 6.671 ( -0.137 0.000 0.121) 0.183 7.672 ( 1.797 2.807 0.015) 3.333======================= Grid point 299 (119/288) =======================q-point: (-0.14 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.177 ( -6.354 -4.036 -0.176) 7.530 2.339 ( -1.697 0.296 -1.552) 2.319 2.527 ( 2.220 0.339 2.175) 3.126 2.602 ( 0.333 2.082 -0.080) 2.110 3.239 ( -12.095 -11.506 1.180) 16.735 3.987 ( 2.154 3.175 -1.111) 3.994 5.900 ( -5.310 -1.567 0.173) 5.539 5.945 ( -0.376 -0.345 -0.074) 0.516 6.252 ( 2.809 1.634 -1.322) 3.509 6.487 ( -0.133 -7.706 0.750) 7.744 6.657 ( -0.876 0.267 -0.145) 0.928 7.766 ( 3.796 4.875 -0.294) 6.186======================= Grid point 300 (120/288) =======================q-point: (-0.07 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.038 ( -6.863 -0.405 -1.234) 6.985 2.261 ( -6.590 0.375 -4.552) 8.018 2.557 ( -0.678 -2.259 3.740) 4.422 2.625 ( -0.505 2.522 -0.414) 2.605 2.972 ( -5.248 -8.584 2.744) 10.428 3.991 ( -3.943 2.093 -0.441) 4.486 5.757 ( -6.792 -5.099 0.636) 8.517 5.933 ( -2.426 2.989 -1.553) 4.151 6.234 ( -3.201 -0.387 -0.785) 3.318 6.507 ( 8.910 -7.280 1.879) 11.658 6.661 ( 1.652 0.578 -1.860) 2.554 7.876 ( 3.153 4.712 -0.900) 5.741======================= Grid point 308 (121/288) =======================q-point: ( 0.50 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.898 ( 0.000 0.717 -1.924) 2.053 1.966 ( 0.000 -0.598 -6.813) 6.839 2.498 ( -0.000 5.921 1.080) 6.019 2.550 ( -0.000 2.288 0.775) 2.416 2.834 ( 0.000 -3.515 4.282) 5.540 4.154 ( -0.000 8.628 0.469) 8.641 5.572 ( -0.000 1.567 0.151) 1.574 5.964 ( -0.000 3.407 -2.057) 3.980 6.203 ( -0.000 3.039 -0.071) 3.039 6.367 ( 0.000 -4.831 2.194) 5.306 6.754 ( 0.000 -4.429 -2.046) 4.879 8.023 ( 0.000 -1.266 -1.114) 1.687======================= Grid point 309 (122/288) =======================q-point: ( 0.57 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.967 ( 6.397 2.697 1.121) 7.032 1.994 ( 4.778 -0.392 -3.134) 5.728 2.568 ( -0.051 0.949 0.736) 1.202 2.615 ( 8.118 3.141 -0.248) 8.708 2.799 ( -1.262 -3.273 2.656) 4.400 4.203 ( -1.813 3.932 -0.841) 4.411 5.656 ( 7.805 0.800 0.007) 7.846 5.973 ( -2.006 3.027 -1.035) 3.776 6.233 ( 0.359 1.829 -0.101) 1.867 6.332 ( 0.650 -3.815 1.430) 4.126 6.708 ( -1.147 -1.618 -1.342) 2.395 7.977 ( -3.905 -0.393 -0.495) 3.955======================= Grid point 310 (123/288) =======================q-point: (-0.36 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.083 ( 6.611 -1.119 -1.008) 6.780 2.141 ( 7.580 3.610 2.738) 8.831 2.571 ( -0.060 -0.450 0.298) 0.543 2.719 ( -3.010 -0.839 -1.310) 3.388 2.864 ( 16.083 -1.168 1.442) 16.190 4.164 ( -4.496 0.080 -1.313) 4.684 5.822 ( 9.523 -0.347 -0.381) 9.537 5.953 ( -2.316 1.085 0.285) 2.573 6.239 ( -1.276 0.666 0.466) 1.513 6.348 ( 4.613 -0.992 0.121) 4.720 6.678 ( -1.394 0.596 -0.332) 1.552 7.883 ( -6.523 0.304 -0.063) 6.530======================= Grid point 311 (124/288) =======================q-point: (-0.29 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.179 ( 6.290 -2.852 0.400) 6.917 2.279 ( 4.496 0.608 1.376) 4.741 2.559 ( -0.165 -1.384 -0.743) 1.579 2.640 ( -4.363 0.815 -1.697) 4.752 3.165 ( 19.201 -4.396 0.623) 19.707 4.051 ( -7.073 -0.917 -0.426) 7.145 5.909 ( 0.820 -3.242 0.277) 3.356 5.951 ( 3.286 0.185 -0.729) 3.371 6.213 ( -3.034 1.649 1.957) 3.969 6.475 ( 9.141 0.406 -0.229) 9.153 6.664 ( -1.646 1.251 -0.017) 2.067 7.770 ( -6.615 1.047 0.208) 6.701======================= Grid point 312 (125/288) =======================q-point: (-0.21 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.229 ( 4.366 -7.285 0.294) 8.498 2.311 ( 0.648 -2.316 1.368) 2.767 2.549 ( -0.078 2.218 -2.474) 3.324 2.594 ( -2.263 1.746 -0.953) 3.013 3.360 ( 10.296 -12.767 -0.347) 16.405 3.945 ( -4.301 3.133 0.883) 5.394 5.892 ( 1.548 -3.033 0.634) 3.464 5.981 ( 1.497 -2.667 -1.755) 3.526 6.199 ( -2.136 3.888 3.060) 5.389 6.598 ( 2.180 -2.802 1.213) 3.752 6.636 ( -0.631 1.150 -1.579) 2.053 7.708 ( -2.244 3.318 0.369) 4.023======================= Grid point 313 (126/288) =======================q-point: (-0.14 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.176 ( -0.409 -7.741 0.010) 7.751 2.319 ( 2.289 -2.491 2.564) 4.245 2.553 ( -2.632 3.252 -3.022) 5.161 2.602 ( 1.801 1.336 -0.098) 2.244 3.246 ( -4.211 -15.888 -0.305) 16.440 3.980 ( 2.092 3.385 0.351) 3.995 5.901 ( 1.564 -4.464 -0.082) 4.730 5.945 ( -0.688 -1.740 -0.132) 1.876 6.237 ( 1.224 2.868 1.724) 3.564 6.492 ( -6.778 -3.435 -0.471) 7.613 6.656 ( 0.588 -0.936 0.038) 1.106 7.763 ( 2.535 5.537 0.257) 6.095======================= Grid point 314 (127/288) =======================q-point: (-0.07 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.092 ( -2.267 -3.927 -0.000) 4.534 2.331 ( -0.513 -0.888 -0.000) 1.026 2.534 ( -0.078 -0.135 -0.000) 0.156 2.643 ( 0.765 1.326 -0.000) 1.531 2.987 ( -7.038 -12.190 -0.000) 14.076 4.031 ( 0.616 1.067 -0.000) 1.232 5.793 ( -4.474 -7.749 -0.000) 8.948 5.978 ( 1.474 2.554 -0.000) 2.949 6.285 ( 0.400 0.693 -0.000) 0.800 6.354 ( -2.428 -4.206 -0.000) 4.857 6.650 ( -0.089 -0.154 -0.000) 0.178 7.874 ( 3.065 5.309 0.000) 6.130======================= Grid point 324 (128/288) =======================q-point: (-0.43 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.913 ( -0.000 1.002 1.064) 1.461 1.982 ( -0.000 3.847 3.400) 5.134 2.554 ( 0.000 -0.540 -0.606) 0.812 2.574 ( -0.000 -0.342 0.551) 0.648 2.789 ( 0.000 -2.263 0.078) 2.264 4.232 ( 0.000 -0.371 -1.898) 1.934 5.586 ( 0.000 -0.069 -0.075) 0.102 6.017 ( -0.000 1.539 0.596) 1.651 6.236 ( 0.000 0.017 -0.047) 0.050 6.301 ( 0.000 -1.482 -0.061) 1.483 6.714 ( -0.000 1.029 -0.601) 1.191 8.010 ( -0.000 0.368 -0.122) 0.388======================= Grid point 325 (129/288) =======================q-point: (-0.36 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.968 ( 4.293 -0.245 1.227) 4.472 2.095 ( 4.721 5.366 6.948) 9.968 2.560 ( 0.197 -2.184 -0.312) 2.215 2.614 ( 8.913 -2.691 -0.178) 9.312 2.753 ( -1.681 -1.235 -2.038) 2.917 4.187 ( -1.435 -4.494 -2.449) 5.315 5.653 ( 7.610 -1.058 -0.338) 7.691 5.999 ( -2.289 -1.338 1.566) 3.079 6.236 ( 0.760 -1.719 0.206) 1.891 6.312 ( 0.987 2.707 -0.556) 2.935 6.722 ( -1.344 3.097 0.062) 3.376 7.983 ( -3.928 1.162 0.130) 4.098======================= Grid point 326 (130/288) =======================q-point: (-0.29 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.043 ( 5.108 -2.802 0.980) 5.908 2.230 ( 3.595 1.474 4.695) 6.094 2.533 ( 0.277 -3.126 -1.202) 3.361 2.699 ( -2.143 -0.653 -2.530) 3.380 2.812 ( 15.724 -2.927 0.850) 16.017 4.088 ( -2.163 -6.739 -1.757) 7.292 5.781 ( 8.191 -3.273 -1.220) 8.904 5.942 ( -1.845 -2.561 1.389) 3.448 6.235 ( 1.250 -1.913 1.190) 2.576 6.387 ( 3.234 4.945 0.774) 5.959 6.729 ( -2.371 4.511 -0.079) 5.097 7.903 ( -6.667 1.692 0.347) 6.887======================= Grid point 327 (131/288) =======================q-point: (-0.21 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.075 ( 4.095 -7.265 -0.394) 8.348 2.274 ( 1.420 -3.029 3.028) 4.513 2.519 ( 1.935 -1.460 -1.470) 2.835 2.654 ( -2.041 0.534 -2.970) 3.644 3.040 ( 13.537 -6.548 0.976) 15.069 3.987 ( -1.168 -5.725 -0.269) 5.849 5.825 ( 2.642 -4.720 -1.315) 5.566 5.915 ( 1.470 -3.142 0.400) 3.492 6.246 ( 0.708 -1.178 2.883) 3.194 6.515 ( 4.921 3.877 1.820) 6.524 6.719 ( -4.290 4.801 -1.308) 6.570 7.812 ( -5.701 2.901 0.737) 6.439======================= Grid point 328 (132/288) =======================q-point: (-0.14 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.052 ( 3.786 -9.195 -0.299) 9.948 2.262 ( 1.272 -5.004 3.695) 6.349 2.561 ( 3.219 0.639 -1.229) 3.505 2.613 ( -1.849 -0.234 -3.012) 3.542 3.103 ( 3.189 -10.484 -0.682) 10.980 3.955 ( 2.483 -3.035 0.503) 3.953 5.814 ( 2.376 -5.319 -1.086) 5.925 5.908 ( 1.362 -3.325 0.694) 3.659 6.246 ( 0.109 -2.058 2.604) 3.321 6.608 ( -1.053 3.709 2.881) 4.813 6.659 ( -5.144 2.701 -2.890) 6.489 7.797 ( -0.564 4.905 1.052) 5.048======================= Grid point 339 (133/288) =======================q-point: (-0.36 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.947 ( -0.000 0.948 3.002) 3.148 2.135 ( -0.000 5.020 10.131) 11.306 2.469 ( 0.000 -6.994 -1.780) 7.217 2.549 ( 0.000 -1.938 0.931) 2.151 2.753 ( 0.000 0.365 -4.094) 4.110 4.116 ( 0.000 -9.593 -3.409) 10.181 5.568 ( 0.000 -1.760 -0.251) 1.778 6.001 ( 0.000 -3.501 1.578) 3.840 6.204 ( 0.000 -2.926 0.004) 2.926 6.346 ( -0.000 5.777 0.092) 5.777 6.777 ( -0.000 5.159 0.347) 5.171 8.036 ( -0.000 2.241 0.189) 2.249======================= Grid point 340 (134/288) =======================q-point: (-0.29 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.974 ( 1.241 -0.942 2.421) 2.879 2.207 ( 1.605 -1.068 6.073) 6.371 2.437 ( 4.857 -9.130 -2.259) 10.585 2.569 ( 4.346 -2.198 4.056) 6.338 2.753 ( -0.001 4.509 -3.944) 5.991 3.990 ( 0.503 -13.375 -3.299) 13.785 5.605 ( 6.492 -3.571 -0.648) 7.438 5.950 ( -1.783 -3.257 0.882) 3.817 6.182 ( 1.202 -3.263 0.093) 3.478 6.424 ( 1.022 7.013 2.327) 7.459 6.824 ( -1.691 6.917 -0.022) 7.121 8.026 ( -4.288 2.944 0.245) 5.207======================= Grid point 341 (135/288) =======================q-point: (-0.21 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.959 ( 0.782 -6.687 -0.630) 6.762 2.210 ( 1.954 -6.280 2.571) 7.062 2.433 ( 4.845 -5.874 -1.184) 7.705 2.604 ( 2.876 -6.223 -0.218) 6.858 2.867 ( 5.500 6.736 1.745) 8.870 3.865 ( 2.782 -14.322 -2.258) 14.763 5.675 ( 6.663 -6.403 -1.634) 9.384 5.896 ( -1.431 -1.913 0.960) 2.575 6.187 ( 2.704 -3.010 0.827) 4.130 6.530 ( 1.838 6.904 4.012) 8.194 6.852 ( -3.692 8.034 -1.252) 8.930 7.958 ( -6.749 3.550 0.747) 7.662======================= Grid point 342 (136/288) =======================q-point: (-0.14 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.888 ( 2.901 -10.580 -1.592) 11.085 2.178 ( 2.249 -8.736 3.438) 9.654 2.486 ( 5.481 -2.052 0.387) 5.865 2.567 ( 1.200 -6.639 -2.612) 7.234 2.999 ( 2.657 2.035 0.982) 3.488 3.804 ( 6.344 -12.046 -1.411) 13.687 5.689 ( 4.218 -7.780 -1.865) 9.044 5.872 ( -0.113 -1.065 1.341) 1.716 6.201 ( 1.807 -3.807 1.459) 4.459 6.639 ( 1.558 5.520 3.838) 6.901 6.838 ( -6.946 8.228 -2.596) 11.076 7.896 ( -4.758 4.682 1.866) 6.931======================= Grid point 354 (137/288) =======================q-point: (-0.29 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.973 ( -0.000 -0.686 1.419) 1.576 2.168 ( 0.000 -7.774 2.575) 8.189 2.266 ( 0.000 -11.488 -0.698) 11.509 2.543 ( -0.000 -1.712 4.148) 4.487 2.802 ( -0.000 8.018 -0.747) 8.053 3.805 ( 0.000 -18.906 -4.068) 19.338 5.505 ( 0.000 -4.497 -0.306) 4.508 5.939 ( 0.000 -2.247 -0.062) 2.248 6.140 ( 0.000 -2.849 0.089) 2.851 6.497 ( -0.000 7.179 3.845) 8.144 6.918 ( -0.000 8.683 -0.273) 8.687 8.100 ( -0.000 3.978 -0.035) 3.978======================= Grid point 355 (138/288) =======================q-point: (-0.21 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.904 ( -3.055 -8.237 -3.433) 9.432 2.087 ( 2.342 -11.488 -0.501) 11.735 2.234 ( 7.116 -8.233 2.129) 11.088 2.527 ( 0.650 -4.594 1.261) 4.808 2.916 ( 1.270 10.026 4.503) 11.063 3.613 ( 3.464 -21.510 -4.037) 22.158 5.498 ( 4.863 -6.641 -0.596) 8.253 5.914 ( -1.240 -0.134 -0.032) 1.248 6.128 ( 1.252 -1.753 0.119) 2.158 6.589 ( 0.986 6.370 5.252) 8.315 6.991 ( -2.190 9.912 -1.143) 10.216 8.103 ( -4.457 4.527 0.135) 6.354======================= Grid point 356 (139/288) =======================q-point: (-0.14 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.732 ( -0.177 -14.141 -5.065) 15.021 2.021 ( 4.028 -13.245 1.495) 13.924 2.318 ( 8.167 -5.244 2.422) 10.003 2.488 ( 0.870 -5.287 -1.140) 5.478 3.037 ( 0.338 6.533 5.219) 8.369 3.495 ( 8.846 -19.722 -4.387) 22.055 5.512 ( 5.517 -8.493 -1.124) 10.190 5.897 ( -1.674 1.597 0.655) 2.405 6.141 ( 1.659 -1.691 0.419) 2.406 6.685 ( 1.291 5.185 4.874) 7.232 7.027 ( -4.924 10.305 -2.331) 11.657 8.053 ( -6.345 5.060 1.561) 8.265======================= Grid point 369 (140/288) =======================q-point: (-0.21 -0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.822 ( 0.000 -13.827 -8.015) 15.982 1.906 ( 0.000 -16.252 -4.727) 16.925 2.119 ( -0.000 -3.435 6.846) 7.659 2.465 ( 0.000 -7.373 0.115) 7.374 3.025 ( -0.000 7.767 9.673) 12.405 3.329 ( 0.000 -23.374 -6.338) 24.218 5.385 ( 0.000 -7.130 0.049) 7.130 5.933 ( -0.000 2.083 -0.463) 2.134 6.109 ( 0.000 -0.030 -0.048) 0.057 6.655 ( -0.000 4.924 6.354) 8.039 7.114 ( -0.000 11.103 -1.374) 11.187 8.190 ( -0.000 4.994 -0.490) 5.018======================= Grid point 370 (141/288) =======================q-point: (-0.14 -0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.574 ( -3.368 -18.749 -9.197) 21.153 1.786 ( 5.527 -16.932 -2.806) 18.031 2.168 ( 5.262 -2.343 5.191) 7.754 2.391 ( 1.975 -9.473 -0.900) 9.718 3.035 ( 3.843 -20.857 8.517) 22.855 3.209 ( 1.777 2.917 -5.276) 6.285 5.345 ( 3.583 -7.930 -0.059) 8.702 5.953 ( -1.200 3.986 0.033) 4.163 6.120 ( 0.429 0.849 -0.092) 0.956 6.725 ( 0.931 3.364 6.239) 7.149 7.198 ( -2.855 11.470 -1.983) 11.985 8.202 ( -4.027 5.115 0.150) 6.512======================= Grid point 384 (142/288) =======================q-point: (-0.14 -0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.414 ( 0.000 -19.925 -9.619) 22.126 1.487 ( 0.000 -20.858 -8.410) 22.489 2.126 ( -0.000 -0.904 5.692) 5.763 2.223 ( 0.000 -18.957 0.768) 18.973 2.742 ( 0.000 -25.132 0.633) 25.140 3.288 ( -0.000 8.605 2.677) 9.012 5.238 ( 0.000 -7.347 0.585) 7.371 6.013 ( -0.000 5.625 0.062) 5.625 6.135 ( -0.000 2.473 -0.295) 2.490 6.762 ( -0.000 1.395 7.185) 7.320 7.337 ( -0.000 11.914 -1.809) 12.051 8.286 ( -0.000 4.678 -0.840) 4.753======================= Grid point 431 (143/288) =======================q-point: ( 0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.452 ( -0.000 -0.000 23.286) 23.286 0.452 ( -0.000 -0.000 23.286) 23.286 0.770 ( -0.000 -0.000 40.184) 40.184 2.091 ( 0.000 0.000 -4.127) 4.127 2.091 ( 0.000 0.000 -4.127) 4.127 3.917 ( 0.000 0.000 -11.214) 11.214 5.001 ( 0.000 0.000 0.028) 0.028 5.001 ( -0.000 0.000 0.028) 0.028 6.273 ( -0.000 -0.000 0.099) 0.099 6.273 ( -0.000 -0.000 0.099) 0.099 7.849 ( -0.000 -0.000 2.876) 2.876 8.328 ( 0.000 0.000 -1.081) 1.081======================= Grid point 432 (144/288) =======================q-point: ( 0.21 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.557 ( 9.030 5.213 15.389) 18.589 0.685 ( 7.720 4.457 22.140) 23.867 1.292 ( 28.190 16.275 24.295) 40.618 2.105 ( 3.419 1.974 -6.013) 7.193 2.112 ( 1.710 0.988 -3.453) 3.978 3.526 ( -8.294 -4.788 -2.565) 9.915 5.039 ( 2.828 1.633 0.310) 3.280 6.101 ( 37.994 21.936 -37.018) 57.403 6.239 ( -3.103 -1.792 -0.030) 3.584 6.246 ( -2.062 -1.191 -0.018) 2.382 7.813 ( -4.617 -2.666 4.226) 6.803 8.294 ( -2.327 -1.344 -4.163) 4.955======================= Grid point 433 (145/288) =======================q-point: ( 0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.880 ( 14.645 8.455 6.869) 18.253 0.963 ( 11.096 6.406 11.931) 17.507 2.033 ( 29.076 16.787 14.326) 36.503 2.149 ( 2.370 1.368 -2.612) 3.783 2.200 ( 6.317 3.647 -7.366) 10.366 3.409 ( -2.076 -1.199 -4.571) 5.161 5.132 ( 4.992 2.882 0.454) 5.782 6.135 ( -5.536 -3.196 -0.490) 6.411 6.185 ( -2.956 -1.706 -0.118) 3.415 6.562 ( 14.219 8.209 -17.167) 23.755 7.668 ( -8.950 -5.167 6.587) 12.255 8.191 ( -4.898 -2.828 -7.962) 9.766======================= Grid point 434 (146/288) =======================q-point: ( 0.36 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.244 ( 14.990 8.654 2.259) 17.455 1.256 ( 12.103 6.988 2.445) 14.188 2.206 ( 3.130 1.807 -1.517) 3.919 2.336 ( 6.870 3.967 -5.169) 9.468 2.673 ( 22.068 12.741 4.887) 25.946 3.399 ( 2.572 1.485 0.246) 2.980 5.267 ( 6.271 3.621 0.521) 7.260 5.998 ( -5.643 -3.258 -0.726) 6.556 6.122 ( -2.186 -1.262 -0.214) 2.533 6.740 ( 4.974 2.872 -7.783) 9.673 7.448 ( -11.994 -6.925 6.747) 15.406 8.042 ( -4.766 -2.752 -8.866) 10.435======================= Grid point 435 (147/288) =======================q-point: ( 0.43 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.535 ( 12.189 7.037 -3.641) 14.538 1.567 ( 12.352 7.132 -0.669) 14.279 2.286 ( 4.034 2.329 -0.130) 4.659 2.473 ( 5.929 3.423 -3.222) 7.566 3.005 ( 5.795 3.346 -0.733) 6.732 3.574 ( 11.212 6.473 5.679) 14.137 5.411 ( 5.626 3.248 0.539) 6.519 5.892 ( -2.868 -1.656 -0.873) 3.425 6.096 ( 0.253 0.146 -0.265) 0.394 6.760 ( -0.970 -0.560 -4.705) 4.837 7.149 ( -14.978 -8.648 3.244) 17.597 7.951 ( -0.951 -0.549 -4.945) 5.066======================= Grid point 436 (148/288) =======================q-point: ( 0.50 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.797 ( 11.765 6.792 -6.586) 15.097 1.800 ( 8.124 4.690 -2.464) 9.699 2.388 ( 4.365 2.520 1.155) 5.171 2.581 ( 3.920 2.263 -2.133) 5.004 3.021 ( -2.894 -1.671 1.324) 3.594 3.849 ( 9.548 5.512 4.386) 11.865 5.517 ( 3.273 1.889 0.431) 3.803 5.872 ( 1.546 0.893 -1.168) 2.133 6.133 ( 2.735 1.579 -0.172) 3.163 6.701 ( -2.356 -1.360 -2.780) 3.890 6.800 ( -14.942 -8.627 0.172) 17.254 7.951 ( 1.207 0.697 -1.219) 1.851======================= Grid point 437 (149/288) =======================q-point: ( 0.57 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.934 ( 4.418 2.551 -2.907) 5.871 2.037 ( 10.829 6.252 -7.778) 14.726 2.478 ( 2.610 1.507 1.686) 3.453 2.633 ( 0.952 0.549 -1.871) 2.170 2.918 ( -5.884 -3.397 2.232) 7.151 4.022 ( 4.329 2.499 3.927) 6.357 5.568 ( 1.232 0.711 0.253) 1.445 5.950 ( 5.199 3.002 -1.567) 6.204 6.200 ( 2.569 1.483 -0.006) 2.967 6.487 ( -11.734 -6.775 0.331) 13.554 6.659 ( -0.538 -0.311 -1.098) 1.262 7.979 ( 1.061 0.612 0.041) 1.225======================= Grid point 438 (150/288) =======================q-point: (-0.36 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.997 ( 1.826 1.054 -2.230) 3.070 2.238 ( 7.768 4.485 -6.465) 11.057 2.503 ( -1.123 -0.649 1.431) 1.932 2.619 ( -0.952 -0.550 -1.262) 1.674 2.790 ( -5.029 -2.903 0.082) 5.808 4.078 ( -0.677 -0.391 4.209) 4.281 5.581 ( -0.109 -0.063 0.137) 0.186 6.066 ( 2.961 1.710 -1.367) 3.682 6.233 ( 0.028 0.016 0.081) 0.088 6.292 ( -3.110 -1.796 0.372) 3.610 6.674 ( 1.902 1.098 0.845) 2.353 7.997 ( 0.538 0.311 0.416) 0.748======================= Grid point 439 (151/288) =======================q-point: (-0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.007 ( -0.664 -0.383 -0.413) 0.871 2.286 ( -3.879 -2.239 2.059) 4.930 2.432 ( -5.046 -2.913 0.235) 5.831 2.665 ( 5.964 3.443 -3.019) 7.519 2.690 ( -2.544 -1.469 -4.360) 5.258 4.004 ( -7.148 -4.127 3.307) 8.892 5.563 ( -1.550 -0.895 0.065) 1.791 6.010 ( -4.803 -2.773 0.900) 5.619 6.203 ( -2.436 -1.406 0.083) 2.814 6.394 ( 8.754 5.054 -2.841) 10.500 6.753 ( 4.586 2.648 1.980) 5.653 8.016 ( 1.121 0.647 1.437) 1.934======================= Grid point 440 (152/288) =======================q-point: (-0.21 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.948 ( -5.504 -3.178 3.564) 7.287 2.120 ( -10.747 -6.205 6.692) 14.099 2.292 ( -5.914 -3.414 -2.901) 7.420 2.595 ( -4.120 -2.379 -1.312) 4.935 2.868 ( 10.711 6.184 -6.240) 13.853 3.750 ( -15.590 -9.001 1.213) 18.042 5.503 ( -3.762 -2.172 -0.081) 4.345 5.926 ( -2.166 -1.251 1.142) 2.749 6.140 ( -2.477 -1.430 0.098) 2.862 6.584 ( 7.976 4.605 -5.033) 10.495 6.899 ( 7.465 4.310 1.772) 8.800 8.069 ( 3.050 1.761 3.047) 4.657======================= Grid point 441 (153/288) =======================q-point: (-0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.748 ( -13.213 -7.628 7.646) 17.066 1.845 ( -14.875 -8.588 8.044) 18.966 2.179 ( -2.487 -1.436 -5.733) 6.412 2.471 ( -6.796 -3.923 -1.249) 7.946 3.095 ( 9.885 5.707 -3.770) 12.021 3.296 ( -23.158 -13.370 -0.554) 26.746 5.387 ( -6.028 -3.480 -0.354) 6.969 5.927 ( 2.019 1.166 0.692) 2.432 6.108 ( -0.091 -0.053 0.199) 0.225 6.714 ( 4.656 2.688 -6.086) 8.120 7.102 ( 9.446 5.453 1.093) 10.961 8.172 ( 4.677 2.700 3.256) 6.306======================= Grid point 446 (154/288) =======================q-point: ( 0.21 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.718 ( -0.000 18.596 13.330) 22.880 0.846 ( -0.000 16.068 18.123) 24.220 1.272 ( -0.000 22.033 29.537) 36.850 2.035 ( 0.000 -1.004 -6.410) 6.488 2.148 ( -0.000 6.830 -4.631) 8.252 3.513 ( 0.000 -10.774 -4.098) 11.528 5.020 ( -0.000 2.447 -0.126) 2.450 5.982 ( -0.000 42.204 -31.708) 52.788 6.239 ( 0.000 -1.910 -1.088) 2.198 6.255 ( 0.000 -2.035 0.169) 2.042 7.823 ( 0.000 -5.648 4.283) 7.088 8.298 ( 0.000 -1.073 -4.160) 4.296======================= Grid point 447 (155/288) =======================q-point: ( 0.29 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.964 ( 0.533 22.208 7.417) 23.420 1.023 ( -0.378 14.513 18.741) 23.707 1.812 ( 20.711 21.066 15.667) 33.439 2.055 ( 5.517 0.236 -4.272) 6.982 2.213 ( 0.405 8.715 -5.883) 10.522 3.396 ( -1.416 -4.284 -5.977) 7.488 5.089 ( 3.729 3.752 0.169) 5.292 6.158 ( -1.663 -4.775 -1.172) 5.190 6.209 ( -1.992 -2.247 -0.007) 3.003 6.383 ( 11.406 17.837 -19.986) 29.116 7.728 ( -4.006 -8.984 5.831) 11.435 8.233 ( -4.239 -1.255 -6.797) 8.109======================= Grid point 448 (156/288) =======================q-point: ( 0.36 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.219 ( 2.473 15.939 13.094) 20.776 1.259 ( 5.167 17.587 2.041) 18.443 2.117 ( 7.587 1.116 -6.029) 9.755 2.290 ( 2.818 6.478 -3.360) 7.822 2.478 ( 19.939 18.852 7.047) 28.331 3.358 ( 2.035 -0.790 -2.913) 3.640 5.216 ( 5.221 5.534 0.467) 7.622 6.044 ( -4.433 -5.053 -0.788) 6.768 6.148 ( -2.303 -1.713 -0.031) 2.870 6.627 ( 8.360 5.553 -10.462) 14.498 7.551 ( -7.246 -10.562 6.861) 14.531 8.093 ( -6.656 -1.668 -8.582) 10.988======================= Grid point 449 (157/288) =======================q-point: ( 0.43 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.449 ( 5.482 11.236 5.239) 13.555 1.544 ( 6.300 17.007 -0.904) 18.158 2.243 ( 5.556 3.888 -2.426) 7.202 2.400 ( 4.836 4.845 -3.853) 7.855 2.912 ( 10.640 8.150 -0.154) 13.404 3.470 ( 9.188 5.123 3.678) 11.144 5.374 ( 5.093 6.914 0.697) 8.616 5.921 ( -3.725 -3.612 -0.827) 5.254 6.106 ( -1.164 -0.024 -0.267) 1.195 6.719 ( 2.776 -0.736 -6.287) 6.912 7.302 ( -11.494 -10.868 4.960) 16.578 7.957 ( -3.486 -1.322 -6.251) 7.279======================= Grid point 450 (158/288) =======================q-point: ( 0.50 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.672 ( 7.397 8.968 0.024) 11.625 1.789 ( 4.820 13.343 -2.805) 14.461 2.373 ( 3.724 6.685 -0.157) 7.654 2.518 ( 5.008 2.744 -2.352) 6.176 3.031 ( 0.913 -0.150 -0.619) 1.113 3.744 ( 11.036 6.952 4.247) 13.717 5.519 ( 2.648 7.276 0.777) 7.782 5.856 ( -0.326 -1.309 -0.916) 1.631 6.114 ( 1.242 1.783 -0.362) 2.203 6.694 ( -0.581 -2.800 -4.973) 5.736 6.976 ( -14.612 -9.443 1.929) 17.504 7.915 ( 1.279 -1.467 -1.901) 2.721======================= Grid point 451 (159/288) =======================q-point: ( 0.57 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.871 ( 6.138 6.419 -1.669) 9.037 1.969 ( 4.444 10.487 -5.163) 12.506 2.496 ( 1.606 7.334 1.323) 7.623 2.601 ( 2.834 1.070 -1.899) 3.575 2.984 ( -4.168 -2.330 0.736) 4.832 3.967 ( 6.844 3.615 3.506) 8.497 5.609 ( -0.675 7.042 0.602) 7.100 5.881 ( 3.861 0.694 -1.148) 4.088 6.173 ( 2.704 2.345 -0.186) 3.584 6.613 ( -7.067 -5.606 -5.321) 10.473 6.679 ( -6.791 -3.097 3.065) 8.069 7.935 ( 2.821 -2.163 0.007) 3.555======================= Grid point 452 (160/288) =======================q-point: ( 0.64 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.984 ( 1.698 4.340 -2.024) 5.081 2.143 ( 6.707 7.900 -6.543) 12.256 2.562 ( -2.008 4.294 2.099) 5.185 2.626 ( 0.066 0.794 -1.516) 1.713 2.867 ( -6.473 -1.683 -0.108) 6.689 4.079 ( 2.368 0.570 4.105) 4.773 5.646 ( -3.004 6.589 0.384) 7.252 5.980 ( 6.112 0.762 -1.289) 6.293 6.236 ( 1.774 2.163 -0.151) 2.802 6.378 ( -8.993 -3.892 -0.332) 9.805 6.653 ( 1.037 -0.052 0.548) 1.174 7.958 ( 2.546 -2.739 0.288) 3.751======================= Grid point 453 (161/288) =======================q-point: (-0.29 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.019 ( -0.672 2.254 -1.549) 2.816 2.284 ( 3.392 3.083 -4.388) 6.345 2.520 ( -4.964 -0.375 2.075) 5.394 2.638 ( 0.176 3.974 -1.381) 4.211 2.744 ( -6.060 0.045 -2.199) 6.447 4.080 ( -3.361 -2.073 4.068) 5.669 5.642 ( -4.559 5.431 0.299) 7.097 6.029 ( -0.341 -3.608 -0.179) 3.628 6.238 ( -3.093 -0.264 0.040) 3.104 6.326 ( 4.257 4.975 -1.446) 6.705 6.700 ( 3.704 0.681 1.394) 4.016 7.975 ( 2.664 -2.781 0.668) 3.909======================= Grid point 454 (162/288) =======================q-point: (-0.21 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.993 ( -3.048 -1.603 0.687) 3.512 2.252 ( -6.424 -2.038 1.871) 6.995 2.408 ( -8.256 0.133 0.013) 8.257 2.636 ( -4.123 -2.144 -0.823) 4.719 2.755 ( 6.797 7.929 -5.665) 11.881 3.928 ( -11.653 -5.104 2.775) 13.021 5.595 ( -6.097 3.250 0.311) 6.916 5.952 ( -2.683 -3.086 0.670) 4.144 6.181 ( -3.304 -0.449 0.127) 3.337 6.489 ( 7.330 5.994 -4.142) 10.336 6.808 ( 6.884 1.575 1.754) 7.277 8.011 ( 4.230 -2.024 1.664) 4.976======================= Grid point 455 (163/288) =======================q-point: (-0.14 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.860 ( -8.485 -8.067 5.555) 12.958 2.069 ( -12.541 -2.716 3.489) 13.298 2.261 ( -8.134 2.263 -3.459) 9.124 2.535 ( -4.807 -2.740 -0.684) 5.576 2.964 ( 9.751 6.439 -5.210) 12.794 3.584 ( -21.043 -7.848 1.943) 22.543 5.493 ( -7.904 0.620 0.248) 7.932 5.911 ( 0.373 -0.797 0.514) 1.020 6.128 ( -2.194 0.279 0.047) 2.212 6.640 ( 5.578 4.168 -5.582) 8.924 6.979 ( 9.635 2.691 1.452) 10.109 8.094 ( 6.190 -0.989 1.900) 6.550======================= Grid point 461 (164/288) =======================q-point: ( 0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.194 ( -0.000 20.870 7.185) 22.072 1.282 ( -0.000 17.430 12.796) 21.623 1.927 ( -0.000 26.245 19.384) 32.628 1.974 ( 0.000 -0.599 -7.700) 7.724 2.287 ( -0.000 10.450 -7.831) 13.059 3.341 ( 0.000 -4.261 -5.772) 7.174 5.100 ( -0.000 5.477 0.099) 5.478 6.117 ( 0.000 -4.954 -0.829) 5.023 6.200 ( 0.000 -3.241 0.048) 3.241 6.410 ( -0.000 15.656 -15.673) 22.153 7.673 ( 0.000 -11.955 5.643) 13.220 8.242 ( 0.000 -0.897 -7.332) 7.387======================= Grid point 462 (165/288) =======================q-point: ( 0.36 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.410 ( -0.123 18.339 3.182) 18.613 1.470 ( -2.477 18.753 12.975) 22.938 1.986 ( 5.399 1.595 -8.175) 9.926 2.298 ( 4.667 8.333 6.029) 11.294 2.440 ( 8.898 22.273 -2.917) 24.161 3.306 ( 1.412 -1.083 -2.484) 3.056 5.199 ( 3.881 6.861 0.457) 7.896 6.044 ( -2.128 -5.564 -0.516) 5.980 6.157 ( -1.071 -2.599 -0.036) 2.811 6.539 ( 4.868 7.119 -9.786) 13.044 7.536 ( -2.918 -13.404 5.694) 14.853 8.162 ( -5.056 -1.139 -8.005) 9.536======================= Grid point 463 (166/288) =======================q-point: ( 0.43 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.565 ( -0.621 13.325 2.992) 13.671 1.678 ( 0.491 19.259 6.322) 20.276 2.135 ( 9.692 4.602 -5.173) 11.911 2.390 ( 1.785 5.393 -3.372) 6.606 2.825 ( 9.926 12.019 -1.257) 15.638 3.392 ( 6.758 5.869 3.456) 9.595 5.364 ( 5.563 8.524 0.956) 10.224 5.940 ( -3.325 -4.420 -0.771) 5.584 6.121 ( -0.823 -0.736 -0.364) 1.162 6.630 ( 4.004 -0.117 -6.060) 7.264 7.344 ( -5.684 -13.358 5.042) 15.368 8.016 ( -6.705 -1.254 -7.013) 9.783======================= Grid point 464 (167/288) =======================q-point: ( 0.50 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.706 ( 2.148 11.310 1.735) 11.642 1.881 ( 1.103 15.164 1.356) 15.264 2.349 ( 8.088 8.124 -1.615) 11.577 2.473 ( 3.050 4.459 -2.143) 5.811 2.988 ( 3.712 1.082 -2.313) 4.506 3.650 ( 10.000 9.364 3.971) 14.264 5.551 ( 4.455 9.705 1.400) 10.770 5.854 ( -1.903 -2.320 -0.910) 3.136 6.118 ( 0.312 1.447 -0.851) 1.707 6.638 ( 1.388 -3.503 -4.916) 6.194 7.098 ( -9.720 -11.360 2.911) 15.231 7.896 ( -2.745 -1.956 -3.500) 4.859======================= Grid point 465 (168/288) =======================q-point: ( 0.57 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.872 ( 3.672 10.008 1.011) 10.708 2.025 ( 0.803 10.872 -1.878) 11.063 2.535 ( 4.298 5.060 -0.333) 6.647 2.569 ( 2.400 6.940 -0.004) 7.343 3.011 ( -0.215 -0.269 -1.026) 1.082 3.889 ( 7.559 4.957 2.275) 9.321 5.703 ( 0.971 9.617 1.535) 9.787 5.834 ( 1.417 0.093 -1.027) 1.752 6.155 ( 1.865 2.315 -0.996) 3.135 6.595 ( -0.242 -3.575 -4.699) 5.909 6.820 ( -11.273 -7.035 2.036) 13.443 7.858 ( 1.778 -3.491 -0.610) 3.965======================= Grid point 466 (169/288) =======================q-point: ( 0.64 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.017 ( 1.576 8.098 0.245) 8.254 2.134 ( 2.251 8.334 -3.703) 9.394 2.596 ( 1.103 0.132 -0.989) 1.487 2.662 ( -0.547 4.318 2.531) 5.035 2.984 ( -4.979 5.319 -1.905) 7.530 4.029 ( 4.986 0.358 2.650) 5.658 5.785 ( -2.433 8.846 1.070) 9.237 5.892 ( 4.212 1.295 -0.935) 4.505 6.211 ( 2.706 1.227 -0.713) 3.055 6.488 ( -7.294 -3.262 -2.670) 8.425 6.658 ( -2.365 -0.776 1.459) 2.885 7.865 ( 3.459 -4.704 0.171) 5.841======================= Grid point 467 (170/288) =======================q-point: (-0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.079 ( -2.097 5.605 -0.588) 6.013 2.248 ( 3.544 5.646 -4.255) 7.909 2.574 ( -2.413 -1.807 0.797) 3.118 2.661 ( -0.584 -1.546 1.823) 2.460 2.936 ( -9.458 11.133 -2.945) 14.902 4.088 ( 1.581 -2.184 3.303) 4.264 5.803 ( -5.224 7.483 0.691) 9.152 5.968 ( 3.377 -1.140 -0.600) 3.614 6.265 ( 2.179 0.310 -1.121) 2.470 6.353 ( -4.707 2.695 -0.140) 5.426 6.661 ( 1.431 0.300 0.663) 1.605 7.878 ( 3.742 -5.140 0.242) 6.362======================= Grid point 468 (171/288) =======================q-point: (-0.21 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.056 ( -4.622 1.620 -0.242) 4.904 2.306 ( -0.767 1.414 -2.654) 3.103 2.506 ( -3.394 -1.337 1.176) 3.833 2.652 ( 0.671 -2.074 1.870) 2.872 2.863 ( -9.512 11.514 -3.953) 15.449 4.044 ( -5.015 -3.520 2.666) 6.682 5.760 ( -7.016 4.707 0.829) 8.489 5.957 ( -1.347 -3.003 -0.123) 3.294 6.247 ( -3.346 1.404 -0.070) 3.629 6.425 ( 5.300 6.037 -2.972) 8.565 6.715 ( 4.705 -0.153 1.361) 4.900 7.901 ( 4.704 -4.610 0.542) 6.608======================= Grid point 469 (172/288) =======================q-point: (-0.14 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.946 ( -7.433 -3.670 2.054) 8.540 2.227 ( -7.429 -1.189 -0.821) 7.568 2.429 ( -6.630 2.046 -0.424) 6.952 2.596 ( -5.263 -2.005 1.257) 5.771 2.893 ( 3.211 8.035 -3.610) 9.376 3.846 ( -14.340 -4.202 1.900) 15.063 5.661 ( -8.698 2.190 1.159) 9.045 5.902 ( -1.093 -1.900 -0.295) 2.212 6.192 ( -4.187 1.296 -0.336) 4.396 6.572 ( 5.712 5.135 -4.721) 9.016 6.838 ( 8.720 0.271 1.888) 8.926 7.960 ( 6.592 -3.460 0.385) 7.455======================= Grid point 476 (173/288) =======================q-point: ( 0.36 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.612 ( -0.000 17.272 2.038) 17.392 1.693 ( -0.000 16.897 7.115) 18.334 1.920 ( 0.000 -0.056 -6.559) 6.559 2.354 ( -0.000 6.145 0.319) 6.153 2.585 ( -0.000 23.335 -1.623) 23.391 3.293 ( -0.000 2.658 1.582) 3.093 5.236 ( -0.000 7.667 0.505) 7.684 6.008 ( 0.000 -4.978 -0.208) 4.983 6.137 ( 0.000 -2.666 -0.195) 2.674 6.533 ( -0.000 4.326 -6.774) 8.037 7.433 ( 0.000 -14.722 4.496) 15.394 8.172 ( 0.000 -1.249 -7.658) 7.759======================= Grid point 477 (174/288) =======================q-point: ( 0.43 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.720 ( -2.842 11.613 -3.437) 12.440 1.893 ( -0.736 15.231 9.424) 17.926 1.992 ( 9.696 5.182 -6.750) 12.901 2.403 ( 1.044 4.175 -4.510) 6.234 2.818 ( 4.185 11.646 -1.089) 12.423 3.399 ( 3.416 11.114 5.711) 12.954 5.360 ( 4.579 8.330 0.826) 9.541 5.944 ( -2.060 -3.788 -0.616) 4.356 6.115 ( 0.100 -1.131 -0.370) 1.195 6.559 ( 1.960 -0.254 -4.031) 4.489 7.279 ( -1.986 -14.618 3.437) 15.147 8.090 ( -4.997 -1.339 -6.738) 8.495======================= Grid point 478 (175/288) =======================q-point: ( 0.50 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.787 ( 0.787 9.021 -2.678) 9.443 2.023 ( 0.040 9.861 2.776) 10.245 2.267 ( 10.869 11.324 -0.594) 15.707 2.464 ( 2.752 4.371 -3.331) 6.146 2.929 ( 2.803 0.915 -0.866) 3.073 3.637 ( 5.823 13.784 4.276) 15.562 5.554 ( 6.691 9.110 1.312) 11.379 5.869 ( -2.536 -1.934 -1.024) 3.350 6.119 ( 0.627 1.039 -0.939) 1.535 6.561 ( 1.617 -3.453 -2.845) 4.758 7.097 ( -3.920 -13.131 2.297) 13.895 7.952 ( -6.438 -1.398 -4.594) 8.032======================= Grid point 479 (176/288) =======================q-point: ( 0.57 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.914 ( 3.475 9.096 -0.373) 9.744 2.117 ( 0.343 7.641 -0.013) 7.648 2.495 ( 4.209 4.103 0.782) 5.929 2.600 ( 5.340 9.898 -0.448) 11.255 2.974 ( 3.691 -0.173 -0.462) 3.724 3.850 ( 4.254 8.181 1.356) 9.320 5.753 ( 4.369 8.172 1.969) 9.474 5.828 ( -0.239 1.107 -1.260) 1.694 6.148 ( 1.025 2.121 -1.706) 2.909 6.538 ( 1.251 -3.395 -2.589) 4.450 6.898 ( -6.224 -9.678 1.343) 11.584 7.834 ( -3.445 -2.351 -1.876) 4.574======================= Grid point 480 (177/288) =======================q-point: ( 0.64 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.067 ( 3.247 8.655 0.268) 9.248 2.191 ( 0.062 6.713 -0.645) 6.744 2.568 ( 2.056 0.924 -0.219) 2.265 2.702 ( -0.721 0.283 2.147) 2.282 3.094 ( 3.105 11.169 -1.339) 11.670 3.957 ( 3.121 0.687 0.642) 3.260 5.828 ( 1.884 1.902 -0.098) 2.679 5.914 ( 0.928 7.577 0.989) 7.698 6.174 ( 1.300 -0.072 -1.783) 2.208 6.527 ( -0.216 0.003 -2.417) 2.427 6.720 ( -5.559 -4.110 1.345) 7.043 7.775 ( 0.597 -4.175 -0.296) 4.228======================= Grid point 481 (178/288) =======================q-point: ( 0.71 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.180 ( -0.449 7.521 0.002) 7.534 2.254 ( 0.800 5.450 -1.209) 5.640 2.586 ( -0.390 -0.572 -0.377) 0.788 2.646 ( -1.435 -5.450 2.035) 5.992 3.217 ( -6.019 16.599 -1.966) 17.766 4.003 ( 4.576 -4.550 1.662) 6.664 5.896 ( 3.126 2.006 -0.211) 3.721 5.958 ( -3.292 4.386 0.522) 5.509 6.194 ( 3.530 -2.214 -1.002) 4.285 6.490 ( -5.331 4.496 -0.462) 6.989 6.659 ( -0.513 0.199 0.176) 0.578 7.760 ( 3.057 -5.431 0.049) 6.232======================= Grid point 482 (179/288) =======================q-point: (-0.21 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.183 ( -6.050 4.333 0.020) 7.442 2.313 ( 0.949 2.841 -2.223) 3.730 2.536 ( -1.928 -2.546 1.651) 3.596 2.613 ( 1.305 -2.565 0.950) 3.030 3.189 ( -13.228 13.150 -1.795) 18.738 4.031 ( 2.746 -4.770 1.518) 5.710 5.905 ( -5.404 1.099 0.537) 5.541 5.945 ( 0.495 0.369 -0.057) 0.620 6.250 ( 4.204 -0.666 -1.547) 4.529 6.472 ( -3.402 8.013 -0.022) 8.705 6.662 ( 1.030 -0.765 0.138) 1.291 7.772 ( 4.377 -4.967 0.042) 6.621======================= Grid point 483 (180/288) =======================q-point: (-0.14 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.070 ( -8.716 -0.508 0.759) 8.764 2.303 ( -3.118 -0.248 -2.906) 4.270 2.506 ( -1.670 1.072 1.265) 2.354 2.627 ( 1.004 -1.628 2.536) 3.177 3.052 ( -11.897 7.515 -1.442) 14.146 3.983 ( -4.771 -3.079 0.580) 5.708 5.812 ( -6.205 0.216 1.215) 6.327 5.919 ( -2.640 -0.635 -0.379) 2.741 6.269 ( -2.089 0.609 -1.964) 2.932 6.535 ( 2.460 6.359 -2.493) 7.260 6.705 ( 5.816 -1.989 1.751) 6.392 7.817 ( 5.628 -3.161 -0.330) 6.464======================= Grid point 491 (181/288) =======================q-point: ( 0.43 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.873 ( 0.000 1.721 -8.308) 8.485 1.877 ( -0.000 9.645 -6.366) 11.557 2.060 ( -0.000 13.611 6.712) 15.176 2.415 ( -0.000 3.577 -4.392) 5.664 2.880 ( -0.000 5.615 1.967) 5.949 3.534 ( -0.000 17.015 6.305) 18.146 5.396 ( -0.000 7.300 0.686) 7.332 5.929 ( 0.000 -2.350 -0.974) 2.544 6.105 ( 0.000 -0.065 -0.343) 0.349 6.526 ( 0.000 -1.764 -1.551) 2.349 7.156 ( 0.000 -14.339 1.623) 14.431 8.101 ( 0.000 -1.486 -5.850) 6.035======================= Grid point 492 (182/288) =======================q-point: ( 0.50 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.838 ( -0.425 4.829 -5.862) 7.607 2.015 ( 6.449 2.632 -6.937) 9.830 2.255 ( 5.571 13.630 3.659) 15.172 2.455 ( 1.394 3.932 -1.924) 4.594 2.916 ( -0.017 -0.239 3.461) 3.470 3.745 ( 1.680 16.819 3.994) 17.368 5.520 ( 5.896 6.568 0.730) 8.857 5.892 ( -1.886 -0.594 -1.518) 2.492 6.118 ( 0.648 1.776 -0.508) 1.958 6.503 ( 0.502 -3.466 0.052) 3.503 7.011 ( -1.236 -12.828 0.260) 12.890 8.028 ( -4.620 -1.299 -4.341) 6.471======================= Grid point 493 (183/288) =======================q-point: ( 0.57 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.919 ( 4.251 6.344 -2.203) 7.948 2.118 ( 5.048 2.066 -4.037) 6.786 2.490 ( 2.745 5.778 2.269) 6.787 2.566 ( 8.826 9.239 -1.359) 12.849 2.912 ( 1.245 -2.734 3.517) 4.625 3.918 ( 0.315 11.569 1.000) 11.616 5.718 ( 8.373 6.046 0.942) 10.371 5.854 ( -1.838 1.349 -1.639) 2.808 6.153 ( 0.661 2.800 -1.107) 3.083 6.477 ( 1.010 -3.784 0.578) 3.959 6.864 ( -2.132 -10.270 -0.339) 10.494 7.905 ( -6.413 -1.020 -2.436) 6.935======================= Grid point 494 (184/288) =======================q-point: ( 0.64 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.070 ( 5.159 6.732 -0.337) 8.488 2.213 ( 3.856 3.175 -1.510) 5.218 2.552 ( 1.205 1.722 0.851) 2.267 2.719 ( -0.744 -0.156 1.007) 1.261 3.046 ( 12.516 7.168 1.421) 14.492 3.980 ( -2.668 4.556 -0.718) 5.329 5.834 ( -0.056 2.596 -0.495) 2.644 5.923 ( 5.682 4.768 0.545) 7.438 6.170 ( -0.984 1.049 -1.627) 2.172 6.490 ( 3.465 -0.685 0.112) 3.534 6.738 ( -2.376 -6.313 0.030) 6.745 7.785 ( -5.068 -1.566 -0.881) 5.377======================= Grid point 495 (185/288) =======================q-point: ( 0.71 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.209 ( 3.573 5.356 -0.515) 6.459 2.303 ( 1.935 4.855 0.164) 5.229 2.580 ( 0.649 0.211 0.237) 0.722 2.634 ( -3.926 -6.076 0.920) 7.292 3.368 ( 9.313 13.701 0.159) 16.567 3.924 ( -3.289 -3.643 -0.405) 4.925 5.874 ( 1.582 2.877 -0.358) 3.303 6.028 ( 1.551 2.892 0.945) 3.415 6.130 ( -1.333 -2.546 -1.207) 3.117 6.566 ( 2.139 3.552 -0.631) 4.193 6.669 ( -0.786 -1.645 0.530) 1.898 7.699 ( -1.809 -2.892 -0.159) 3.415======================= Grid point 496 (186/288) =======================q-point: (-0.21 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.292 ( 0.762 3.834 -1.377) 4.145 2.356 ( -3.268 4.803 0.944) 5.886 2.512 ( -0.478 -7.204 1.046) 7.295 2.584 ( 0.143 -0.397 -0.006) 0.421 3.536 ( -9.941 14.235 -0.667) 17.376 3.868 ( 7.543 -8.936 0.471) 11.703 5.924 ( 1.033 0.929 -0.270) 1.415 6.017 ( -4.764 1.630 0.717) 5.086 6.137 ( 5.560 -2.141 -0.982) 6.038 6.602 ( -1.710 4.232 0.699) 4.617 6.660 ( -1.066 0.048 -0.671) 1.260 7.671 ( 1.975 -2.741 -0.041) 3.378======================= Grid point 497 (187/288) =======================q-point: (-0.14 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.229 ( -9.222 -0.245 0.107) 9.226 2.327 ( -1.050 0.033 -2.052) 2.306 2.523 ( 2.430 0.436 2.898) 3.807 2.587 ( 1.150 -0.616 0.450) 1.380 3.357 ( -16.073 1.980 0.276) 16.197 3.953 ( 4.873 -1.692 -0.702) 5.206 5.897 ( -3.843 -0.143 -0.360) 3.862 5.967 ( -2.592 -0.007 1.220) 2.864 6.227 ( 5.184 0.050 -2.621) 5.809 6.608 ( -3.403 1.159 -0.910) 3.708 6.621 ( 1.047 -0.733 1.426) 1.914 7.711 ( 4.210 -0.232 -0.300) 4.227======================= Grid point 506 (188/288) =======================q-point: ( 0.50 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.865 ( 0.000 1.657 -4.498) 4.794 1.926 ( 0.000 2.268 -10.726) 10.963 2.336 ( -0.000 10.425 2.915) 10.825 2.485 ( -0.000 4.263 0.400) 4.282 2.921 ( -0.000 -2.433 5.152) 5.698 3.910 ( -0.000 15.576 2.446) 15.767 5.517 ( -0.000 4.226 0.411) 4.246 5.906 ( 0.000 1.091 -2.088) 2.356 6.135 ( -0.000 3.055 -0.218) 3.062 6.467 ( 0.000 -3.969 2.220) 4.547 6.899 ( 0.000 -10.779 -1.563) 10.892 8.044 ( 0.000 -1.248 -3.344) 3.570======================= Grid point 507 (189/288) =======================q-point: ( 0.57 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.895 ( 3.231 4.075 -2.125) 5.617 1.988 ( 7.069 0.110 -6.921) 9.894 2.495 ( 6.426 8.479 1.434) 10.735 2.531 ( 0.781 3.302 0.799) 3.486 2.895 ( -0.874 -4.132 4.849) 6.431 4.046 ( -0.815 11.217 0.233) 11.249 5.619 ( 7.190 3.096 0.217) 7.832 5.902 ( -1.738 2.634 -1.982) 3.726 6.173 ( 0.458 3.532 -0.310) 3.575 6.433 ( 0.112 -4.595 2.890) 5.430 6.791 ( -0.851 -7.751 -2.248) 8.115 7.987 ( -4.175 -0.771 -2.040) 4.710======================= Grid point 508 (190/288) =======================q-point: ( 0.64 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.030 ( 5.930 5.348 0.180) 7.987 2.110 ( 8.276 0.320 -2.901) 8.776 2.562 ( 0.224 1.605 1.146) 1.985 2.711 ( 4.982 3.482 -0.982) 6.157 2.887 ( 7.132 -1.667 4.326) 8.506 4.095 ( -3.547 6.079 -1.359) 7.168 5.802 ( 9.218 2.282 0.067) 9.496 5.897 ( -1.292 3.467 -1.262) 3.909 6.205 ( -0.771 2.581 -0.465) 2.734 6.412 ( 2.500 -3.995 2.160) 5.184 6.706 ( -1.112 -4.275 -1.531) 4.675 7.882 ( -6.438 -0.260 -0.892) 6.505======================= Grid point 509 (191/288) =======================q-point: ( 0.71 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.175 ( 5.345 3.317 0.293) 6.297 2.251 ( 6.781 1.847 -0.596) 7.053 2.576 ( 0.129 0.025 0.600) 0.614 2.668 ( -4.703 -3.489 -0.181) 5.858 3.181 ( 18.840 3.346 1.642) 19.205 4.034 ( -7.536 1.910 -1.449) 7.908 5.896 ( -0.262 3.453 -0.265) 3.473 5.964 ( 5.529 -0.681 -0.101) 5.571 6.184 ( -3.619 1.340 0.028) 3.859 6.482 ( 7.710 -0.878 0.332) 7.767 6.662 ( -0.531 -1.190 -0.119) 1.309 7.763 ( -6.454 -0.278 -0.227) 6.464======================= Grid point 510 (192/288) =======================q-point: (-0.21 -0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.281 ( 3.483 1.842 1.011) 4.067 2.364 ( 5.415 -0.322 -0.782) 5.481 2.520 ( -6.376 -3.029 -0.720) 7.095 2.584 ( -0.432 -0.056 0.009) 0.436 3.530 ( 17.900 -1.136 0.499) 17.943 3.872 ( -12.024 1.600 -0.344) 12.135 5.921 ( 0.412 1.066 0.241) 1.168 6.025 ( 3.967 -2.724 -0.946) 4.904 6.127 ( -4.655 3.019 1.163) 5.669 6.609 ( 4.442 1.054 -0.928) 4.659 6.653 ( 0.655 -1.183 0.870) 1.608 7.670 ( -3.366 0.271 0.035) 3.378======================= Grid point 511 (193/288) =======================q-point: (-0.14 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.332 ( -2.221 -3.846 -0.000) 4.441 2.337 ( -1.521 -2.635 -0.000) 3.042 2.475 ( 2.007 3.476 0.000) 4.014 2.584 ( 0.218 0.378 -0.000) 0.436 3.555 ( -7.691 -13.322 -0.000) 15.383 3.853 ( 4.933 8.544 -0.000) 9.866 5.932 ( 0.066 0.114 -0.000) 0.131 6.005 ( -1.904 -3.298 -0.000) 3.808 6.153 ( 2.504 4.337 -0.000) 5.007 6.591 ( -2.480 -4.296 0.000) 4.960 6.671 ( -0.011 -0.019 -0.000) 0.022 7.672 ( 1.663 2.880 -0.000) 3.326======================= Grid point 522 (194/288) =======================q-point: ( 0.57 0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.885 ( -0.000 1.921 -0.857) 2.103 1.917 ( -0.000 2.870 -3.391) 4.442 2.505 ( -0.000 5.191 0.492) 5.214 2.560 ( -0.000 2.125 1.370) 2.529 2.872 ( 0.000 -4.825 3.736) 6.102 4.151 ( -0.000 7.777 -1.221) 7.872 5.573 ( -0.000 1.467 0.049) 1.468 5.946 ( -0.000 3.925 -1.577) 4.230 6.202 ( -0.000 3.073 -0.087) 3.074 6.391 ( 0.000 -5.528 2.976) 6.278 6.732 ( 0.000 -3.935 -2.687) 4.765 8.012 ( 0.000 -0.518 -1.266) 1.368======================= Grid point 523 (195/288) =======================q-point: ( 0.64 0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.965 ( 6.098 0.564 -1.246) 6.249 1.995 ( 4.827 5.815 2.954) 8.114 2.577 ( -0.078 0.545 1.062) 1.197 2.611 ( 7.523 2.734 -0.646) 8.031 2.823 ( -0.694 -4.968 2.481) 5.596 4.187 ( -1.755 3.488 -2.439) 4.604 5.655 ( 7.746 0.699 -0.173) 7.780 5.966 ( -1.990 4.050 -0.440) 4.534 6.232 ( 0.369 2.006 0.027) 2.040 6.346 ( 0.608 -5.162 1.544) 5.422 6.694 ( -0.954 -0.751 -1.725) 2.109 7.972 ( -3.857 0.077 -0.553) 3.897======================= Grid point 524 (196/288) =======================q-point: (-0.29 -0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.076 ( 6.880 -0.326 -0.440) 6.902 2.171 ( 5.994 4.984 3.685) 8.622 2.574 ( -0.184 -1.002 0.409) 1.098 2.703 ( -1.977 -1.520 -2.121) 3.274 2.882 ( 15.213 -2.093 2.412) 15.545 4.146 ( -4.073 0.161 -2.426) 4.743 5.817 ( 9.388 -0.623 -0.648) 9.431 5.957 ( -2.403 1.938 0.503) 3.128 6.246 ( -1.111 1.284 0.849) 1.898 6.349 ( 4.615 -1.865 0.196) 4.981 6.673 ( -1.160 1.084 -0.582) 1.691 7.882 ( -6.481 0.546 -0.133) 6.506======================= Grid point 525 (197/288) =======================q-point: (-0.21 -0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.182 ( 6.678 -2.918 0.254) 7.292 2.294 ( 3.124 1.536 1.855) 3.944 2.550 ( -0.695 -2.219 -1.197) 2.616 2.625 ( -3.671 0.180 -1.497) 3.969 3.174 ( 18.705 -4.672 1.318) 19.324 4.044 ( -6.345 -0.442 -1.055) 6.448 5.909 ( 2.385 -3.807 -0.276) 4.501 5.946 ( 1.434 0.537 -0.274) 1.555 6.232 ( -2.813 2.648 2.029) 4.364 6.473 ( 9.045 0.621 -0.187) 9.068 6.663 ( -1.526 0.946 -0.076) 1.797 7.771 ( -6.578 1.231 0.097) 6.693======================= Grid point 537 (198/288) =======================q-point: (-0.36 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.927 ( -0.000 1.846 1.959) 2.691 2.028 ( -0.000 7.163 6.164) 9.450 2.545 ( 0.000 -1.018 -1.139) 1.527 2.581 ( 0.000 -0.675 1.025) 1.227 2.790 ( 0.000 -4.291 0.104) 4.292 4.206 ( 0.000 -0.687 -3.534) 3.600 5.585 ( 0.000 -0.125 -0.135) 0.184 6.025 ( -0.000 2.857 1.117) 3.067 6.236 ( 0.000 0.032 -0.083) 0.089 6.300 ( 0.000 -2.798 -0.139) 2.801 6.706 ( -0.000 1.911 -1.047) 2.180 8.008 ( -0.000 0.656 -0.255) 0.703======================= Grid point 538 (199/288) =======================q-point: (-0.29 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.983 ( 3.516 0.625 1.921) 4.055 2.163 ( 3.434 6.606 7.454) 10.536 2.555 ( 1.002 -3.421 -1.027) 3.710 2.615 ( 7.998 -1.036 0.530) 8.082 2.737 ( -1.019 -3.631 -1.152) 3.943 4.158 ( -1.039 -4.515 -3.658) 5.903 5.649 ( 7.398 -1.166 -0.410) 7.501 6.013 ( -2.530 -1.084 1.360) 3.070 6.238 ( 1.027 -1.988 0.112) 2.240 6.310 ( 1.335 3.294 0.170) 3.558 6.719 ( -1.350 3.563 -0.563) 3.851 7.983 ( -3.893 1.297 -0.164) 4.107======================= Grid point 539 (200/288) =======================q-point: (-0.21 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.051 ( 4.385 -2.710 0.791) 5.215 2.273 ( 2.263 1.138 4.191) 4.897 2.520 ( 0.324 -3.767 -1.576) 4.096 2.673 ( -2.362 -0.216 -2.653) 3.559 2.830 ( 15.793 -3.119 2.878) 16.353 4.069 ( -1.339 -6.521 -2.420) 7.084 5.769 ( 7.828 -3.557 -1.146) 8.675 5.952 ( -1.942 -2.547 0.819) 3.306 6.244 ( 2.250 -2.038 0.661) 3.107 6.401 ( 2.902 6.229 2.067) 7.176 6.725 ( -2.497 4.355 -0.741) 5.074 7.904 ( -6.551 1.856 -0.096) 6.810======================= Grid point 552 (201/288) =======================q-point: (-0.29 -0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.974 ( -0.000 1.052 2.731) 2.927 2.224 ( -0.000 4.347 8.311) 9.379 2.453 ( 0.000 -7.092 -1.678) 7.288 2.566 ( -0.000 -0.400 2.810) 2.838 2.718 ( 0.000 -1.088 -3.266) 3.442 4.080 ( 0.000 -9.545 -4.181) 10.421 5.566 ( 0.000 -1.815 -0.230) 1.830 6.012 ( 0.000 -4.155 0.754) 4.223 6.204 ( 0.000 -2.870 -0.034) 2.871 6.352 ( -0.000 7.159 1.310) 7.278 6.776 ( -0.000 5.399 -0.491) 5.421 8.035 ( -0.000 2.262 -0.467) 2.310======================= Grid point 553 (202/288) =======================q-point: (-0.21 -0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.991 ( 0.611 -1.737 1.051) 2.121 2.249 ( 0.866 -3.806 2.497) 4.633 2.418 ( 4.407 -8.496 -1.756) 9.731 2.612 ( 3.254 -3.076 4.338) 6.235 2.729 ( 1.394 7.197 -0.441) 7.344 3.958 ( 1.020 -13.264 -3.383) 13.727 5.599 ( 6.142 -3.652 -0.538) 7.166 5.955 ( -1.562 -3.613 0.074) 3.937 6.182 ( 1.278 -3.160 -0.056) 3.409 6.452 ( 1.291 8.227 3.537) 9.048 6.820 ( -1.893 6.823 -0.873) 7.134 8.023 ( -4.118 3.015 -0.767) 5.162======================= Grid point 567 (203/288) =======================q-point: (-0.21 -0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.973 ( 0.000 -3.372 -1.472) 3.679 2.166 ( 0.000 -10.531 -2.782) 10.892 2.270 ( 0.000 -9.258 1.505) 9.379 2.577 ( 0.000 -3.753 2.809) 4.688 2.818 ( -0.000 11.689 3.914) 12.327 3.771 ( 0.000 -18.907 -3.079) 19.156 5.503 ( 0.000 -4.453 -0.125) 4.454 5.935 ( 0.000 -2.459 -0.703) 2.558 6.140 ( 0.000 -2.837 -0.005) 2.837 6.538 ( -0.000 8.297 4.769) 9.569 6.912 ( -0.000 8.518 -0.983) 8.574 8.092 ( -0.000 4.032 -1.673) 4.365======================= Grid point 644 (204/288) =======================q-point: ( 0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.664 ( -0.000 -0.000 21.810) 21.810 0.664 ( -0.000 -0.000 21.810) 21.810 1.141 ( -0.000 -0.000 38.583) 38.583 2.044 ( 0.000 0.000 -5.941) 5.941 2.044 ( 0.000 0.000 -5.941) 5.941 3.789 ( 0.000 0.000 -15.806) 15.806 5.002 ( 0.000 -0.000 0.037) 0.037 5.002 ( -0.000 0.000 0.037) 0.037 6.274 ( -0.000 -0.000 0.122) 0.122 6.274 ( -0.000 -0.000 0.122) 0.122 7.880 ( -0.000 -0.000 3.728) 3.728 8.316 ( 0.000 0.000 -1.536) 1.536======================= Grid point 645 (205/288) =======================q-point: ( 0.29 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.718 ( 5.007 2.891 18.079) 18.981 0.902 ( 6.209 3.585 23.292) 24.370 1.521 ( 21.290 12.292 23.776) 34.201 2.046 ( 3.459 1.997 -6.152) 7.335 2.070 ( 2.264 1.307 -5.307) 5.916 3.478 ( -8.963 -5.175 -7.684) 12.890 5.041 ( 2.902 1.676 0.100) 3.353 5.807 ( 39.683 22.911 -25.529) 52.454 6.238 ( -3.243 -1.872 -0.120) 3.746 6.247 ( -2.105 -1.215 0.085) 2.432 7.854 ( -3.739 -2.159 4.515) 6.248 8.258 ( -4.066 -2.348 -3.585) 5.907======================= Grid point 646 (206/288) =======================q-point: ( 0.36 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.966 ( 11.502 6.641 11.031) 17.265 1.107 ( 6.094 3.519 18.060) 19.382 2.057 ( 15.414 8.900 -9.250) 20.059 2.116 ( 3.017 1.742 -4.451) 5.652 2.230 ( 16.873 9.742 13.770) 23.858 3.354 ( -0.757 -0.437 -7.040) 7.094 5.135 ( 5.061 2.922 0.095) 5.844 6.129 ( -5.574 -3.218 -0.653) 6.469 6.185 ( -3.009 -1.737 0.046) 3.475 6.403 ( 19.260 11.120 -16.160) 27.490 7.733 ( -8.222 -4.747 7.039) 11.818 8.117 ( -6.208 -3.584 -7.674) 10.501======================= Grid point 647 (207/288) =======================q-point: ( 0.43 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.282 ( 12.871 7.431 5.725) 15.927 1.306 ( 7.811 4.510 8.050) 12.089 2.184 ( 3.910 2.258 -3.250) 5.563 2.270 ( 9.009 5.201 -8.161) 13.222 2.729 ( 17.668 10.200 6.286) 21.347 3.393 ( 5.789 3.342 -1.505) 6.852 5.270 ( 6.353 3.668 0.146) 7.338 5.992 ( -5.663 -3.270 -0.566) 6.564 6.121 ( -2.249 -1.298 -0.030) 2.597 6.661 ( 7.070 4.082 -8.675) 11.912 7.511 ( -13.047 -7.533 6.471) 16.397 7.965 ( -3.770 -2.177 -7.301) 8.500======================= Grid point 648 (208/288) =======================q-point: ( 0.50 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.523 ( 9.595 5.540 0.957) 11.121 1.573 ( 10.833 6.255 1.858) 12.646 2.278 ( 4.902 2.830 -1.584) 5.878 2.438 ( 6.965 4.021 -4.017) 8.990 3.000 ( 5.335 3.080 -0.402) 6.173 3.617 ( 11.946 6.897 3.461) 14.222 5.414 ( 5.679 3.279 0.269) 6.564 5.885 ( -2.956 -1.707 -0.412) 3.438 6.094 ( 0.224 0.129 -0.118) 0.284 6.708 ( -0.108 -0.063 -6.132) 6.134 7.176 ( -16.321 -9.423 2.325) 18.988 7.918 ( 0.571 0.330 -2.054) 2.157======================= Grid point 649 (209/288) =======================q-point: ( 0.57 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.750 ( 10.216 5.898 -3.214) 12.227 1.784 ( 7.245 4.183 -0.935) 8.417 2.394 ( 5.011 2.893 0.190) 5.789 2.559 ( 4.208 2.429 -2.576) 5.500 3.027 ( -2.114 -1.220 0.017) 2.441 3.887 ( 9.421 5.439 3.569) 11.449 5.520 ( 3.246 1.874 0.309) 3.760 5.864 ( 1.318 0.761 -0.527) 1.610 6.132 ( 2.779 1.605 -0.094) 3.210 6.658 ( -2.294 -1.325 -5.787) 6.365 6.814 ( -14.379 -8.302 2.285) 16.760 7.948 ( 1.659 0.958 0.437) 1.964======================= Grid point 650 (210/288) =======================q-point: ( 0.64 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.909 ( 4.215 2.434 -2.382) 5.419 1.970 ( 9.995 5.771 -6.286) 13.142 2.492 ( 2.832 1.635 1.312) 3.524 2.614 ( 1.191 0.687 -2.130) 2.535 2.929 ( -5.806 -3.352 0.233) 6.708 4.061 ( 4.554 2.629 4.325) 6.809 5.570 ( 1.184 0.684 0.231) 1.387 5.937 ( 4.921 2.841 -0.983) 5.767 6.200 ( 2.618 1.511 0.033) 3.023 6.479 ( -10.297 -5.945 -1.964) 12.052 6.659 ( -0.790 -0.456 1.207) 1.513 7.982 ( 1.030 0.595 0.588) 1.327======================= Grid point 651 (211/288) =======================q-point: (-0.29 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.973 ( 2.166 1.250 -2.648) 3.642 2.170 ( 8.863 5.117 -7.911) 12.935 2.518 ( -1.284 -0.741 1.643) 2.213 2.606 ( -1.002 -0.578 -1.450) 1.855 2.791 ( -5.594 -3.230 0.024) 6.460 4.122 ( -0.809 -0.467 4.931) 5.019 5.582 ( -0.135 -0.078 0.170) 0.231 6.052 ( 3.446 1.990 -1.585) 4.283 6.234 ( 0.035 0.020 0.102) 0.110 6.296 ( -3.547 -2.048 0.341) 4.110 6.683 ( 2.269 1.310 1.146) 2.860 8.001 ( 0.684 0.395 0.453) 0.910======================= Grid point 652 (212/288) =======================q-point: (-0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.996 ( 0.412 0.238 -1.824) 1.885 2.281 ( 0.456 0.263 -3.333) 3.374 2.439 ( -5.811 -3.355 1.144) 6.807 2.607 ( 2.934 1.694 -5.941) 6.839 2.693 ( -2.128 -1.229 1.968) 3.148 4.040 ( -7.872 -4.545 4.190) 10.009 5.564 ( -1.581 -0.913 0.164) 1.833 6.015 ( -4.259 -2.459 0.139) 4.919 6.203 ( -2.451 -1.415 0.065) 2.831 6.370 ( 7.536 4.351 -2.269) 8.993 6.768 ( 4.744 2.739 1.265) 5.622 8.028 ( 1.670 0.964 1.066) 2.203======================= Grid point 659 (213/288) =======================q-point: ( 0.29 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.863 ( -0.000 13.169 16.999) 21.504 1.010 ( -0.000 13.753 16.628) 21.579 1.550 ( -0.000 16.362 29.036) 33.329 1.969 ( 0.000 -1.324 -7.536) 7.651 2.097 ( -0.000 6.789 -6.008) 9.066 3.450 ( 0.000 -10.529 -9.218) 13.993 5.020 ( -0.000 2.442 0.104) 2.444 5.733 ( -0.000 43.099 -21.291) 48.072 6.234 ( 0.000 -3.405 -0.331) 3.421 6.256 ( 0.000 -2.045 0.086) 2.047 7.865 ( 0.000 -4.827 4.544) 6.629 8.261 ( 0.000 -3.154 -3.821) 4.955======================= Grid point 660 (214/288) =======================q-point: ( 0.36 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.049 ( 0.029 17.329 10.773) 20.404 1.207 ( -0.116 12.025 19.708) 23.088 1.886 ( 8.133 9.206 -2.343) 12.505 2.067 ( 12.741 9.729 6.488) 17.294 2.162 ( 2.003 7.444 -2.401) 8.074 3.328 ( -0.972 -3.158 -8.399) 9.026 5.091 ( 3.780 3.842 0.163) 5.392 6.136 ( 3.419 2.263 -4.877) 6.371 6.202 ( 1.224 3.370 -3.769) 5.202 6.228 ( 5.292 9.796 -8.645) 14.097 7.785 ( -3.375 -8.468 6.132) 10.987 8.169 ( -5.011 -2.712 -6.769) 8.848======================= Grid point 661 (215/288) =======================q-point: ( 0.43 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.286 ( 4.355 16.086 5.013) 17.403 1.365 ( -1.162 11.991 15.998) 20.027 2.051 ( 9.776 2.076 -7.688) 12.609 2.231 ( 2.303 8.851 -7.923) 12.101 2.562 ( 17.452 13.385 9.461) 23.943 3.324 ( 3.953 1.894 -4.138) 6.028 5.220 ( 5.223 5.783 0.217) 7.795 6.037 ( -4.435 -5.097 -0.561) 6.779 6.148 ( -2.371 -1.799 0.039) 2.976 6.531 ( 10.100 8.045 -9.641) 16.114 7.617 ( -7.206 -11.178 7.073) 15.063 8.013 ( -6.527 -1.475 -8.173) 10.563======================= Grid point 662 (216/288) =======================q-point: ( 0.50 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.496 ( 3.823 9.713 3.817) 11.114 1.567 ( 3.589 15.626 6.448) 17.281 2.215 ( 7.063 4.286 -3.549) 8.991 2.358 ( 5.536 6.360 -4.951) 9.778 2.913 ( 9.175 5.641 0.079) 10.771 3.496 ( 10.653 7.008 1.860) 12.887 5.379 ( 5.051 7.268 0.373) 8.858 5.916 ( -3.680 -3.731 -0.350) 5.252 6.104 ( -1.185 -0.210 -0.142) 1.212 6.658 ( 3.309 0.157 -6.515) 7.309 7.343 ( -12.933 -11.593 3.549) 17.727 7.909 ( -1.552 -0.660 -3.591) 3.967======================= Grid point 663 (217/288) =======================q-point: ( 0.57 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.680 ( 5.546 9.013 1.650) 10.710 1.780 ( 3.090 12.148 0.961) 12.572 2.366 ( 4.695 7.243 -1.219) 8.717 2.494 ( 5.263 3.448 -2.677) 6.837 3.022 ( 1.679 -0.172 -1.215) 2.080 3.777 ( 11.017 6.774 2.675) 13.207 5.525 ( 2.503 7.613 0.526) 8.031 5.850 ( -0.377 -1.521 -0.184) 1.578 6.111 ( 1.347 1.589 -0.247) 2.098 6.644 ( -0.409 -2.476 -5.656) 6.188 6.992 ( -14.894 -9.348 1.487) 17.647 7.908 ( 2.296 -1.396 0.251) 2.698======================= Grid point 664 (218/288) =======================q-point: ( 0.64 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.863 ( 5.007 7.116 -0.103) 8.702 1.930 ( 2.716 9.841 -3.066) 10.660 2.505 ( 2.123 7.864 0.658) 8.172 2.582 ( 2.792 1.424 -2.147) 3.799 2.983 ( -3.721 -2.577 -0.983) 4.632 3.999 ( 7.378 3.431 3.208) 8.747 5.615 ( -0.883 7.267 0.491) 7.337 5.874 ( 3.669 0.506 -0.337) 3.719 6.172 ( 2.868 2.233 -0.138) 3.638 6.561 ( -5.092 -4.224 -5.601) 8.669 6.710 ( -7.761 -3.938 3.274) 9.299 7.939 ( 2.909 -2.347 0.884) 3.841======================= Grid point 665 (219/288) =======================q-point: ( 0.71 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.968 ( 0.927 4.842 -1.392) 5.123 2.084 ( 5.662 8.471 -6.015) 11.832 2.579 ( -1.685 4.090 1.495) 4.669 2.612 ( -0.022 2.037 -1.384) 2.463 2.860 ( -6.180 -2.622 -1.217) 6.822 4.120 ( 2.839 0.298 4.306) 5.166 5.650 ( -3.152 6.738 0.383) 7.448 5.970 ( 5.851 0.836 -0.838) 5.969 6.235 ( 1.711 1.852 -0.178) 2.527 6.372 ( -7.718 -3.525 -1.013) 8.545 6.662 ( 0.912 -0.153 1.338) 1.627 7.962 ( 2.509 -2.845 0.460) 3.822======================= Grid point 666 (220/288) =======================q-point: (-0.21 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.002 ( -0.644 2.910 -2.027) 3.604 2.231 ( 4.648 4.956 -6.656) 9.511 2.540 ( -4.788 -0.534 1.962) 5.202 2.624 ( -2.104 5.612 -1.401) 6.155 2.733 ( -4.986 -2.139 -0.257) 5.431 4.120 ( -3.463 -2.658 4.264) 6.102 5.645 ( -4.651 5.597 0.395) 7.288 6.024 ( 0.205 -3.087 -0.858) 3.210 6.238 ( -2.713 -0.161 0.002) 2.718 6.315 ( 3.076 3.830 -0.909) 4.995 6.712 ( 3.898 0.728 1.059) 4.104 7.980 ( 2.961 -2.710 0.461) 4.041======================= Grid point 674 (221/288) =======================q-point: ( 0.36 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.274 ( -0.000 17.282 10.078) 20.006 1.390 ( -0.000 15.425 9.637) 18.188 1.904 ( 0.000 -0.443 -6.823) 6.837 2.097 ( -0.000 23.506 12.103) 26.439 2.215 ( -0.000 7.635 -3.306) 8.320 3.280 ( 0.000 -1.822 -7.055) 7.286 5.102 ( -0.000 5.551 0.445) 5.569 6.110 ( 0.000 -3.263 -0.646) 3.327 6.200 ( 0.000 -3.299 -0.106) 3.301 6.277 ( -0.000 18.529 -12.285) 22.232 7.728 ( 0.000 -11.968 6.088) 13.427 8.170 ( 0.000 -1.819 -7.905) 8.112======================= Grid point 675 (222/288) =======================q-point: ( 0.43 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.437 ( -1.386 15.523 3.044) 15.879 1.597 ( -0.147 15.806 13.009) 20.471 1.910 ( 4.979 2.335 -7.548) 9.339 2.264 ( 0.940 8.199 -10.181) 13.106 2.491 ( 10.980 18.099 10.568) 23.660 3.281 ( 2.086 2.867 -2.782) 4.507 5.204 ( 3.925 7.024 0.580) 8.067 6.040 ( -2.325 -5.574 -0.304) 6.047 6.156 ( -1.044 -2.715 -0.140) 2.912 6.456 ( 5.454 10.049 -7.602) 13.730 7.592 ( -2.639 -14.234 6.134) 15.722 8.083 ( -5.028 -0.896 -8.619) 10.018======================= Grid point 676 (223/288) =======================q-point: ( 0.50 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.570 ( 0.934 11.585 -0.549) 11.636 1.768 ( -2.402 16.530 11.326) 20.181 2.086 ( 11.222 5.732 -5.142) 13.610 2.343 ( 2.653 6.745 -6.329) 9.622 2.824 ( 8.347 8.687 0.719) 12.069 3.419 ( 7.362 8.782 2.299) 11.688 5.372 ( 5.614 8.830 0.723) 10.489 5.934 ( -3.349 -4.539 -0.463) 5.660 6.118 ( -0.897 -0.989 -0.345) 1.379 6.578 ( 3.922 1.260 -4.750) 6.288 7.390 ( -6.081 -14.482 4.552) 16.353 7.952 ( -5.525 -0.412 -6.214) 8.326======================= Grid point 677 (224/288) =======================q-point: ( 0.57 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.715 ( 3.161 10.406 0.337) 10.881 1.915 ( -1.317 13.316 5.294) 14.390 2.334 ( 8.806 9.630 -1.707) 13.160 2.448 ( 3.858 5.238 -3.067) 7.193 2.969 ( 3.914 1.197 -1.793) 4.469 3.680 ( 9.475 9.139 2.369) 13.376 5.562 ( 4.453 10.132 0.943) 11.107 5.848 ( -1.845 -2.574 -0.293) 3.181 6.111 ( 0.332 1.045 -0.636) 1.268 6.594 ( 0.982 -2.709 -4.205) 5.098 7.121 ( -10.437 -11.730 1.805) 15.804 7.871 ( -1.076 -1.757 -1.699) 2.670======================= Grid point 678 (225/288) =======================q-point: ( 0.64 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.881 ( 3.693 9.763 0.901) 10.477 2.021 ( -0.993 10.222 1.000) 10.319 2.530 ( 3.937 3.647 -0.640) 5.405 2.566 ( 3.222 10.104 -0.590) 10.622 2.997 ( -0.120 -0.392 -1.967) 2.009 3.908 ( 7.878 4.470 1.716) 9.219 5.715 ( 0.725 10.090 1.089) 10.175 5.828 ( 1.457 -0.265 -0.172) 1.490 6.147 ( 2.140 1.900 -0.663) 2.938 6.553 ( -0.783 -2.881 -4.280) 5.218 6.837 ( -10.714 -6.994 1.574) 12.891 7.857 ( 2.407 -3.745 0.478) 4.477======================= Grid point 679 (226/288) =======================q-point: ( 0.71 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.023 ( 1.120 8.097 0.853) 8.218 2.105 ( 0.606 8.786 -2.326) 9.109 2.585 ( 1.209 0.399 -1.233) 1.772 2.683 ( -0.389 5.313 1.998) 5.690 2.960 ( -5.070 4.734 -3.115) 7.604 4.055 ( 5.780 -0.048 2.703) 6.381 5.794 ( -2.726 9.003 0.838) 9.444 5.886 ( 4.140 1.189 -0.204) 4.312 6.206 ( 2.908 0.874 -0.460) 3.072 6.462 ( -5.910 -1.935 -2.884) 6.855 6.674 ( -3.006 -1.587 1.761) 3.829 7.868 ( 3.473 -4.936 0.514) 6.057======================= Grid point 680 (227/288) =======================q-point: (-0.21 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.075 ( -2.826 5.918 -0.203) 6.561 2.208 ( 2.693 6.729 -4.142) 8.348 2.577 ( -1.407 -1.193 -0.115) 1.848 2.681 ( -0.891 -1.980 2.340) 3.192 2.908 ( -9.585 11.381 -2.908) 15.161 4.119 ( 1.920 -2.857 3.148) 4.664 5.810 ( -5.288 7.603 0.749) 9.291 5.962 ( 3.333 -0.998 -0.613) 3.533 6.255 ( 2.012 0.080 -1.082) 2.286 6.351 ( -4.476 2.770 -0.199) 5.268 6.667 ( 1.599 -0.029 0.696) 1.744 7.880 ( 3.791 -5.215 0.201) 6.451======================= Grid point 689 (228/288) =======================q-point: ( 0.43 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.629 ( -0.000 13.448 1.520) 13.533 1.712 ( -0.000 12.276 -4.079) 12.936 1.899 ( -0.000 3.682 3.044) 4.777 2.297 ( -0.000 6.826 -10.495) 12.520 2.626 ( -0.000 18.897 8.401) 20.681 3.307 ( -0.000 7.237 1.334) 7.359 5.242 ( -0.000 7.717 0.767) 7.755 6.006 ( 0.000 -5.181 -0.387) 5.195 6.134 ( 0.000 -2.723 -0.331) 2.743 6.482 ( -0.000 6.644 -4.028) 7.770 7.477 ( 0.000 -15.965 4.873) 16.692 8.095 ( 0.000 -0.460 -8.574) 8.586======================= Grid point 690 (229/288) =======================q-point: ( 0.50 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.678 ( -2.116 9.221 -5.254) 10.822 1.926 ( 10.452 5.050 -7.365) 13.747 1.982 ( -0.050 13.653 9.221) 16.475 2.347 ( 1.647 6.049 -6.466) 9.006 2.829 ( 2.717 10.108 2.922) 10.867 3.446 ( 3.204 12.991 4.342) 14.067 5.367 ( 4.672 8.376 0.805) 9.624 5.937 ( -2.087 -4.067 -0.832) 4.646 6.112 ( 0.020 -1.229 -0.432) 1.302 6.532 ( 1.630 1.161 -1.534) 2.521 7.312 ( -1.841 -16.102 3.450) 16.570 8.024 ( -4.563 -0.157 -7.101) 8.443======================= Grid point 691 (230/288) =======================q-point: ( 0.57 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.759 ( 2.624 8.767 -3.120) 9.669 2.039 ( 1.881 5.272 0.116) 5.598 2.270 ( 10.242 14.086 1.430) 17.474 2.432 ( 3.017 5.413 -3.031) 6.898 2.929 ( 1.730 2.232 0.674) 2.903 3.671 ( 4.939 13.001 2.887) 14.204 5.564 ( 6.899 9.204 0.821) 11.531 5.860 ( -2.402 -2.257 -0.865) 3.408 6.111 ( 0.411 0.815 -0.715) 1.160 6.542 ( 0.799 -2.405 -0.996) 2.723 7.117 ( -3.941 -14.275 1.761) 14.913 7.911 ( -5.358 -0.522 -4.009) 6.712======================= Grid point 692 (231/288) =======================q-point: ( 0.64 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.909 ( 4.441 9.029 -0.519) 10.075 2.120 ( 0.904 5.928 0.445) 6.013 2.502 ( 3.067 3.868 0.680) 4.983 2.593 ( 6.854 11.771 -0.708) 13.639 2.971 ( 2.528 0.804 -0.171) 2.658 3.860 ( 3.984 7.326 0.745) 8.372 5.768 ( 4.629 8.369 1.101) 9.627 5.819 ( -0.076 0.757 -0.676) 1.018 6.135 ( 0.922 1.739 -0.982) 2.200 6.519 ( 0.327 -2.388 -1.386) 2.780 6.907 ( -6.097 -10.089 0.689) 11.809 7.820 ( -2.437 -2.205 -1.043) 3.448======================= Grid point 693 (232/288) =======================q-point: ( 0.71 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.068 ( 3.422 8.273 0.013) 8.953 2.191 ( -0.198 6.568 0.566) 6.595 2.565 ( 1.569 1.276 -0.435) 2.069 2.717 ( -0.283 0.266 1.142) 1.206 3.079 ( 2.170 12.092 -1.763) 12.411 3.964 ( 3.868 0.101 0.847) 3.961 5.828 ( 1.983 1.465 0.077) 2.466 5.922 ( 0.825 7.891 0.665) 7.961 6.162 ( 1.577 -0.362 -0.761) 1.789 6.507 ( -0.661 1.017 -1.747) 2.127 6.730 ( -5.264 -4.437 0.837) 6.935 7.774 ( 0.947 -4.349 0.150) 4.453======================= Grid point 694 (233/288) =======================q-point: ( 0.79 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.178 ( 0.004 6.779 -0.287) 6.785 2.248 ( -0.657 6.449 -0.124) 6.483 2.581 ( -0.175 -0.181 -0.551) 0.606 2.662 ( -1.239 -5.789 1.157) 6.032 3.198 ( -6.391 17.286 -2.006) 18.539 4.019 ( 5.160 -5.113 1.722) 7.466 5.895 ( 3.239 1.727 -0.001) 3.670 5.962 ( -3.511 4.467 0.384) 5.695 6.187 ( 3.443 -2.252 -0.563) 4.153 6.486 ( -4.848 5.352 -0.443) 7.235 6.661 ( -0.731 -0.410 0.155) 0.852 7.761 ( 3.071 -5.554 0.150) 6.349======================= Grid point 704 (234/288) =======================q-point: ( 0.50 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.794 ( 0.000 3.885 -8.453) 9.303 1.804 ( -0.000 6.507 -9.100) 11.187 2.122 ( -0.000 11.409 6.307) 13.036 2.379 ( -0.000 6.218 -2.909) 6.865 2.910 ( -0.000 6.050 3.884) 7.189 3.586 ( -0.000 16.503 4.783) 17.182 5.403 ( -0.000 7.206 0.715) 7.242 5.917 ( 0.000 -2.755 -1.462) 3.119 6.101 ( 0.000 -0.032 -0.371) 0.373 6.524 ( -0.000 -0.639 1.207) 1.366 7.171 ( 0.000 -15.975 1.562) 16.051 8.043 ( 0.000 -0.091 -6.322) 6.323======================= Grid point 705 (235/288) =======================q-point: ( 0.57 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.784 ( 0.976 6.001 -5.550) 8.232 1.942 ( 8.613 2.067 -8.257) 12.109 2.291 ( 4.817 12.098 3.835) 13.575 2.446 ( 1.073 5.532 -0.151) 5.637 2.951 ( -0.673 0.909 3.668) 3.838 3.776 ( 1.145 15.408 2.653) 15.677 5.525 ( 5.965 6.422 0.483) 8.778 5.877 ( -1.721 -0.924 -1.665) 2.567 6.113 ( 0.469 1.810 -0.404) 1.913 6.515 ( -0.063 -2.549 2.338) 3.460 7.012 ( -0.953 -14.301 -0.033) 14.333 7.986 ( -4.225 -0.034 -4.397) 6.098======================= Grid point 706 (236/288) =======================q-point: ( 0.64 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.901 ( 5.267 7.267 -1.591) 9.115 2.078 ( 7.187 1.667 -4.224) 8.502 2.510 ( 1.457 4.391 1.770) 4.953 2.558 ( 9.337 10.528 -0.258) 14.074 2.945 ( 0.356 -1.587 3.391) 3.760 3.924 ( -0.146 10.478 0.084) 10.479 5.724 ( 8.676 5.910 0.224) 10.500 5.840 ( -1.630 1.132 -1.285) 2.365 6.145 ( 0.334 2.793 -0.539) 2.864 6.490 ( 0.060 -2.940 2.128) 3.630 6.859 ( -1.591 -11.201 -0.751) 11.339 7.883 ( -5.824 -0.265 -2.135) 6.209======================= Grid point 707 (237/288) =======================q-point: ( 0.71 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.068 ( 5.273 6.946 -0.101) 8.722 2.200 ( 5.030 3.041 -1.214) 6.002 2.559 ( 0.803 1.813 0.646) 2.085 2.723 ( -0.087 0.006 -0.083) 0.121 3.062 ( 10.954 7.519 1.818) 13.410 3.972 ( -2.450 3.944 -0.869) 4.724 5.830 ( 0.003 2.458 -0.385) 2.488 5.926 ( 6.267 4.716 -0.022) 7.844 6.160 ( -1.179 1.172 -0.430) 1.717 6.495 ( 2.354 -0.226 0.932) 2.542 6.736 ( -1.744 -6.593 -0.387) 6.831 7.778 ( -4.648 -1.354 -0.566) 4.874======================= Grid point 708 (238/288) =======================q-point: ( 0.79 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.206 ( 3.171 5.493 -0.000) 6.343 2.304 ( 2.647 4.585 0.000) 5.294 2.581 ( 0.263 0.456 -0.000) 0.526 2.638 ( -3.701 -6.411 -0.000) 7.403 3.369 ( 8.273 14.329 -0.000) 16.546 3.922 ( -2.396 -4.149 -0.000) 4.791 5.872 ( 1.657 2.870 -0.000) 3.313 6.033 ( 1.632 2.826 -0.000) 3.263 6.125 ( -1.382 -2.393 -0.000) 2.763 6.563 ( 2.105 3.646 -0.000) 4.210 6.671 ( -0.922 -1.596 -0.000) 1.843 7.699 ( -1.679 -2.909 -0.000) 3.359======================= Grid point 720 (239/288) =======================q-point: ( 0.57 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.826 ( -0.000 3.365 -3.662) 4.973 1.833 ( 0.000 3.834 -8.639) 9.451 2.361 ( -0.000 9.151 2.392) 9.459 2.494 ( -0.000 4.931 1.448) 5.139 2.966 ( -0.000 -2.124 4.271) 4.770 3.926 ( -0.000 14.035 0.983) 14.069 5.521 ( -0.000 4.059 0.275) 4.068 5.887 ( 0.000 0.977 -1.957) 2.188 6.133 ( -0.000 3.136 -0.178) 3.141 6.498 ( 0.000 -3.476 4.176) 5.434 6.882 ( 0.000 -12.004 -2.032) 12.175 8.012 ( 0.000 -0.001 -3.415) 3.415======================= Grid point 721 (240/288) =======================q-point: ( 0.64 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.880 ( 3.860 6.130 -1.305) 7.361 1.934 ( 7.594 1.735 -4.135) 8.819 2.505 ( 6.440 7.631 0.681) 10.008 2.543 ( 0.171 3.279 1.690) 3.693 2.936 ( -0.845 -4.308 3.880) 5.859 4.042 ( -0.976 10.055 -1.131) 10.166 5.620 ( 7.149 2.960 -0.053) 7.738 5.885 ( -1.589 2.821 -1.454) 3.549 6.171 ( 0.336 3.604 -0.143) 3.623 6.466 ( -0.273 -4.761 4.195) 6.351 6.767 ( -0.443 -8.193 -2.764) 8.658 7.968 ( -3.973 0.154 -1.960) 4.433======================= Grid point 722 (241/288) =======================q-point: ( 0.71 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.030 ( 6.025 5.357 -0.436) 8.074 2.094 ( 8.430 2.527 -0.245) 8.804 2.573 ( 0.014 1.407 1.262) 1.890 2.699 ( 5.165 3.002 -1.459) 6.150 2.926 ( 6.554 -2.062 3.954) 7.927 4.078 ( -3.404 5.545 -2.224) 6.876 5.801 ( 9.288 2.129 -0.445) 9.539 5.888 ( -1.151 3.879 -0.587) 4.088 6.203 ( -0.860 2.832 0.058) 2.961 6.435 ( 1.884 -4.775 2.659) 5.781 6.690 ( -0.473 -3.959 -1.756) 4.357 7.874 ( -6.234 0.218 -0.763) 6.285======================= Grid point 736 (242/288) =======================q-point: ( 0.64 0.64 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.882 ( -0.000 3.129 0.335) 3.147 1.903 ( -0.000 6.393 0.326) 6.402 2.507 ( -0.000 4.452 -0.147) 4.455 2.575 ( -0.000 1.902 1.833) 2.641 2.903 ( 0.000 -5.797 2.785) 6.432 4.132 ( -0.000 6.828 -2.742) 7.359 5.573 ( -0.000 1.392 -0.063) 1.393 5.935 ( -0.000 4.577 -0.773) 4.642 6.202 ( -0.000 3.082 -0.085) 3.083 6.421 ( 0.000 -6.996 3.395) 7.776 6.705 ( 0.000 -3.245 -2.964) 4.395 8.000 ( 0.000 0.226 -1.218) 1.239======================= Grid point 738 (243/288) =======================q-point: (-0.29 -0.36 -0.79)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.960 ( 4.741 2.153 0.183) 5.210 2.032 ( 5.120 7.747 4.832) 10.468 2.585 ( 0.967 0.229 0.450) 1.091 2.605 ( 5.861 2.182 -0.223) 6.258 2.845 ( -0.002 -6.136 2.004) 6.454 4.158 ( -1.531 3.020 -3.677) 4.998 5.653 ( 7.602 0.642 -0.310) 7.636 5.965 ( -2.059 4.917 0.225) 5.336 6.233 ( 0.517 2.200 0.133) 2.264 6.360 ( 0.647 -6.792 1.420) 6.969 6.677 ( -0.744 0.083 -1.749) 1.903 7.967 ( -3.793 0.483 -0.543) 3.862======================= Grid point 753 (244/288) =======================q-point: (-0.29 -0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.949 ( -0.000 2.386 2.529) 3.477 2.095 ( -0.000 9.457 7.777) 12.244 2.533 ( 0.000 -1.360 -1.515) 2.036 2.593 ( 0.000 -0.971 1.348) 1.662 2.790 ( 0.000 -5.809 0.060) 5.809 4.167 ( 0.000 -0.892 -4.634) 4.719 5.584 ( 0.000 -0.156 -0.169) 0.230 6.038 ( -0.000 3.737 1.476) 4.018 6.235 ( 0.000 0.040 -0.103) 0.111 6.298 ( 0.000 -3.750 -0.241) 3.758 6.695 ( -0.000 2.493 -1.235) 2.782 8.005 ( -0.000 0.804 -0.381) 0.890======================= Grid point 860 (245/288) =======================q-point: ( 0.29 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.859 ( -0.000 -0.000 19.506) 19.506 0.859 ( -0.000 -0.000 19.506) 19.506 1.491 ( -0.000 -0.000 35.819) 35.819 1.981 ( 0.000 0.000 -7.281) 7.281 1.981 ( 0.000 0.000 -7.281) 7.281 3.624 ( 0.000 0.000 -19.032) 19.032 5.002 ( 0.000 -0.000 0.040) 0.040 5.002 ( 0.000 0.000 0.040) 0.040 6.275 ( -0.000 -0.000 0.122) 0.122 6.275 ( -0.000 -0.000 0.122) 0.122 7.917 ( -0.000 -0.000 3.966) 3.966 8.300 ( 0.000 0.000 -1.823) 1.823======================= Grid point 861 (246/288) =======================q-point: ( 0.36 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.889 ( 2.864 1.653 18.013) 18.314 1.112 ( 7.894 4.557 21.024) 22.914 1.712 ( 9.570 5.525 14.090) 17.906 2.012 ( 7.533 4.349 1.464) 8.821 2.013 ( 2.743 1.584 -6.819) 7.518 3.384 ( -7.632 -4.407 -12.037) 14.918 5.041 ( 2.896 1.672 -0.129) 3.346 5.615 ( 36.614 21.139 -15.678) 45.091 6.237 ( -3.409 -1.968 -0.182) 3.940 6.248 ( -2.113 -1.220 0.172) 2.446 7.897 ( -3.016 -1.741 4.495) 5.686 8.226 ( -5.498 -3.174 -3.344) 7.176======================= Grid point 862 (247/288) =======================q-point: ( 0.43 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.082 ( 8.856 5.113 13.263) 16.747 1.291 ( 2.266 1.308 20.687) 20.852 1.948 ( 11.913 6.878 -12.896) 18.855 2.066 ( 3.634 2.098 -6.076) 7.384 2.366 ( 17.713 10.227 13.782) 24.663 3.279 ( 1.001 0.578 -8.640) 8.717 5.134 ( 5.095 2.942 -0.281) 5.890 6.123 ( -5.171 -2.986 -0.694) 6.011 6.186 ( -3.041 -1.756 0.203) 3.517 6.267 ( 21.824 12.600 -12.496) 28.129 7.800 ( -7.307 -4.219 7.358) 11.195 8.047 ( -7.524 -4.344 -7.330) 11.367======================= Grid point 863 (248/288) =======================q-point: ( 0.50 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.349 ( 10.660 6.155 8.464) 14.939 1.401 ( 3.792 2.189 11.564) 12.365 2.145 ( 4.735 2.734 -4.873) 7.324 2.193 ( 11.375 6.567 -7.608) 15.179 2.780 ( 13.673 7.894 4.046) 16.299 3.374 ( 8.800 5.081 -2.467) 10.456 5.269 ( 6.456 3.727 -0.258) 7.459 5.988 ( -5.589 -3.227 -0.162) 6.455 6.121 ( -2.312 -1.335 0.161) 2.675 6.582 ( 8.438 4.872 -7.978) 12.593 7.564 ( -14.815 -8.553 4.230) 17.622 7.911 ( -1.796 -1.037 -3.703) 4.244======================= Grid point 864 (249/288) =======================q-point: ( 0.57 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.553 ( 6.889 3.977 5.455) 9.645 1.602 ( 9.011 5.202 4.237) 11.234 2.257 ( 5.916 3.415 -2.961) 7.445 2.402 ( 7.895 4.558 -3.598) 9.800 2.993 ( 4.859 2.805 -1.193) 5.735 3.639 ( 12.748 7.360 1.244) 14.773 5.415 ( 5.795 3.346 -0.057) 6.692 5.885 ( -2.969 -1.714 0.280) 3.439 6.094 ( 0.167 0.097 0.054) 0.201 6.649 ( 0.382 0.221 -6.369) 6.384 7.191 ( -16.842 -9.723 0.856) 19.466 7.914 ( 1.514 0.874 1.226) 2.135======================= Grid point 865 (250/288) =======================q-point: ( 0.64 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.739 ( 8.010 4.625 0.920) 9.295 1.783 ( 5.985 3.455 0.734) 6.949 2.392 ( 5.855 3.381 -0.761) 6.804 2.534 ( 4.434 2.560 -2.571) 5.729 3.021 ( -1.795 -1.036 -1.439) 2.523 3.915 ( 9.939 5.738 2.228) 11.691 5.522 ( 3.284 1.896 0.125) 3.794 5.863 ( 1.097 0.634 0.360) 1.317 6.131 ( 2.791 1.611 0.004) 3.223 6.600 ( -2.681 -1.548 -6.239) 6.964 6.838 ( -12.958 -7.481 2.553) 15.179 7.959 ( 1.543 0.891 1.884) 2.593======================= Grid point 866 (251/288) =======================q-point: ( 0.71 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.891 ( 3.607 2.082 -1.473) 4.418 1.922 ( 8.163 4.713 -3.715) 10.132 2.502 ( 3.277 1.892 0.771) 3.861 2.594 ( 1.426 0.823 -2.107) 2.674 2.923 ( -5.548 -3.203 -1.451) 6.569 4.101 ( 5.136 2.965 3.858) 7.075 5.572 ( 1.175 0.678 0.163) 1.366 5.932 ( 4.500 2.598 -0.150) 5.198 6.201 ( 2.653 1.532 0.066) 3.064 6.453 ( -7.983 -4.609 -3.218) 9.763 6.678 ( -1.906 -1.101 2.612) 3.416 7.989 ( 0.720 0.416 0.989) 1.292======================= Grid point 875 (252/288) =======================q-point: ( 0.36 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.029 ( -0.000 10.225 17.936) 20.646 1.152 ( -0.000 11.499 13.063) 17.404 1.796 ( -0.000 10.151 20.534) 22.906 1.898 ( 0.000 -1.254 -7.263) 7.371 2.049 ( -0.000 7.804 -2.050) 8.069 3.344 ( 0.000 -8.278 -12.851) 15.286 5.022 ( -0.000 2.525 0.312) 2.544 5.575 ( -0.000 39.811 -12.821) 41.825 6.232 ( 0.000 -3.881 -0.139) 3.883 6.256 ( 0.000 -2.092 -0.014) 2.092 7.907 ( 0.000 -4.031 4.386) 5.957 8.226 ( 0.000 -5.082 -3.578) 6.215======================= Grid point 876 (253/288) =======================q-point: ( 0.43 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.160 ( -1.017 13.095 12.380) 18.049 1.386 ( 3.438 9.646 18.036) 20.740 1.820 ( 1.857 4.388 -9.320) 10.467 2.041 ( 4.150 7.475 -8.641) 12.156 2.249 ( 11.854 11.264 15.085) 22.248 3.242 ( -0.197 -1.146 -9.573) 9.643 5.092 ( 3.591 4.051 0.126) 5.415 6.051 ( 14.606 22.877 -10.093) 28.958 6.165 ( -1.909 -2.757 -1.601) 3.716 6.213 ( -1.886 -2.362 -0.097) 3.024 7.843 ( -2.622 -7.634 6.274) 10.223 8.106 ( -5.771 -4.584 -6.610) 9.900======================= Grid point 877 (254/288) =======================q-point: ( 0.50 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.344 ( 3.678 11.340 7.072) 13.862 1.518 ( -3.408 10.442 15.948) 19.365 1.978 ( 11.809 3.967 -7.474) 14.527 2.151 ( 3.639 9.132 -8.775) 13.177 2.640 ( 13.754 9.971 6.669) 18.250 3.284 ( 5.749 4.794 -4.189) 8.578 5.220 ( 5.102 6.097 -0.068) 7.950 6.034 ( -4.408 -5.096 -0.171) 6.741 6.149 ( -2.360 -1.937 0.110) 3.055 6.451 ( 10.883 9.928 -7.318) 16.449 7.681 ( -8.098 -12.085 6.126) 15.784 7.943 ( -5.102 -1.107 -6.395) 8.255======================= Grid point 878 (255/288) =======================q-point: ( 0.57 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.529 ( 4.668 7.779 3.896) 9.874 1.652 ( -0.267 13.788 10.603) 17.396 2.177 ( 8.021 4.936 -4.455) 10.419 2.313 ( 6.890 7.342 -4.292) 10.945 2.909 ( 7.886 4.194 -1.029) 8.990 3.505 ( 11.480 8.489 0.205) 14.279 5.381 ( 5.008 7.631 -0.009) 9.128 5.915 ( -3.537 -3.803 0.254) 5.199 6.104 ( -1.177 -0.412 0.030) 1.248 6.600 ( 3.267 1.009 -5.628) 6.585 7.365 ( -14.305 -11.788 1.088) 18.568 7.893 ( 0.634 -0.722 0.181) 0.978======================= Grid point 879 (256/288) =======================q-point: ( 0.64 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.702 ( 4.971 7.873 2.967) 9.772 1.808 ( 0.404 11.009 4.825) 12.027 2.350 ( 5.694 8.043 -2.224) 10.102 2.470 ( 5.445 3.877 -2.367) 7.091 3.007 ( 1.929 -0.246 -2.114) 2.872 3.794 ( 11.366 7.079 0.861) 13.418 5.528 ( 2.446 7.940 0.194) 8.310 5.852 ( -0.361 -1.698 0.658) 1.856 6.110 ( 1.409 1.406 -0.055) 1.992 6.591 ( -0.682 -2.032 -5.345) 5.759 7.004 ( -14.378 -9.013 0.903) 16.994 7.919 ( 2.780 -1.853 2.228) 4.016======================= Grid point 880 (257/288) =======================q-point: ( 0.71 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.868 ( 4.226 7.323 1.091) 8.525 1.915 ( 0.146 8.597 0.039) 8.598 2.508 ( 2.730 8.563 -0.005) 8.988 2.562 ( 2.796 1.664 -2.100) 3.872 2.966 ( -3.479 -2.792 -2.551) 5.138 4.026 ( 8.224 3.653 2.346) 9.300 5.618 ( -0.999 7.488 0.300) 7.560 5.876 ( 3.438 0.284 0.604) 3.502 6.171 ( 2.963 2.132 -0.025) 3.650 6.510 ( -4.332 -3.306 -5.118) 7.476 6.740 ( -7.444 -4.280 3.105) 9.130 7.951 ( 2.653 -2.777 1.559) 4.145======================= Grid point 890 (258/288) =======================q-point: ( 0.43 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.381 ( -0.000 12.928 12.513) 17.991 1.450 ( -0.000 12.547 2.201) 12.739 1.859 ( 0.000 1.004 -1.966) 2.208 2.049 ( -0.000 12.323 -13.567) 18.328 2.321 ( -0.000 14.212 16.728) 21.950 3.212 ( 0.000 1.423 -7.071) 7.213 5.108 ( -0.000 5.646 0.705) 5.690 6.105 ( -0.000 1.352 -0.310) 1.388 6.183 ( -0.000 16.865 -7.795) 18.579 6.198 ( 0.000 -3.367 -0.242) 3.376 7.787 ( 0.000 -11.775 6.435) 13.419 8.095 ( 0.000 -3.202 -8.069) 8.681======================= Grid point 891 (259/288) =======================q-point: ( 0.50 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.463 ( -2.128 10.963 1.877) 11.325 1.698 ( 6.513 12.324 7.101) 15.643 1.860 ( 0.659 4.594 -1.744) 4.957 2.154 ( 3.062 9.949 -12.119) 15.976 2.590 ( 7.332 13.576 9.692) 18.221 3.256 ( 2.666 6.774 -2.319) 7.640 5.209 ( 3.785 7.194 0.599) 8.151 6.038 ( -2.443 -5.784 -0.199) 6.282 6.155 ( -0.968 -2.845 -0.214) 3.013 6.400 ( 5.540 12.484 -4.220) 14.295 7.650 ( -2.589 -15.199 6.126) 16.591 8.003 ( -4.555 -0.768 -8.264) 9.467======================= Grid point 892 (260/288) =======================q-point: ( 0.57 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.565 ( 2.180 9.256 -0.398) 9.517 1.874 ( -3.295 13.525 10.615) 17.506 2.037 ( 12.564 6.810 -5.303) 15.243 2.283 ( 4.312 8.357 -5.649) 10.970 2.833 ( 6.054 6.947 0.874) 9.256 3.435 ( 7.424 10.875 1.137) 13.217 5.377 ( 5.536 9.092 0.383) 10.651 5.931 ( -3.184 -4.729 -0.187) 5.703 6.115 ( -0.882 -1.212 -0.217) 1.515 6.543 ( 3.237 2.555 -2.613) 4.882 7.426 ( -7.175 -15.256 2.898) 17.106 7.904 ( -3.350 -0.173 -3.839) 5.098======================= Grid point 893 (261/288) =======================q-point: ( 0.64 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.719 ( 4.276 9.399 0.861) 10.362 1.971 ( -2.245 10.310 6.108) 12.191 2.316 ( 9.187 11.870 -2.206) 15.171 2.421 ( 4.518 5.525 -2.192) 7.466 2.953 ( 3.403 1.466 -1.556) 4.019 3.694 ( 9.088 9.361 0.588) 13.061 5.568 ( 4.468 10.443 0.368) 11.365 5.848 ( -1.604 -2.833 0.269) 3.267 6.106 ( 0.371 0.757 -0.231) 0.874 6.561 ( 0.127 -1.829 -2.837) 3.378 7.131 ( -10.949 -11.665 0.440) 16.005 7.865 ( 0.581 -2.303 0.507) 2.429======================= Grid point 894 (262/288) =======================q-point: ( 0.71 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.890 ( 3.845 9.195 0.961) 10.013 2.042 ( -2.249 8.826 3.313) 9.692 2.523 ( 3.186 2.735 -1.043) 4.326 2.560 ( 4.302 12.694 -0.614) 13.417 2.975 ( -0.585 -0.497 -2.797) 2.900 3.920 ( 8.445 4.545 0.874) 9.630 5.723 ( 0.664 10.402 0.477) 10.434 5.831 ( 1.571 -0.606 0.660) 1.809 6.143 ( 2.277 1.672 -0.118) 2.827 6.516 ( -1.559 -2.096 -3.393) 4.282 6.850 ( -9.904 -6.984 1.148) 12.173 7.866 ( 2.723 -4.350 1.445) 5.332======================= Grid point 906 (263/288) =======================q-point: ( 0.50 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.634 ( -0.000 7.879 -0.964) 7.938 1.639 ( -0.000 8.519 -10.042) 13.169 1.956 ( -0.000 7.036 7.583) 10.344 2.194 ( -0.000 10.854 -9.907) 14.696 2.710 ( -0.000 14.159 8.499) 16.514 3.319 ( -0.000 10.926 1.198) 10.991 5.250 ( -0.000 7.716 0.883) 7.766 6.001 ( 0.000 -5.576 -0.651) 5.614 6.131 ( 0.000 -2.756 -0.406) 2.786 6.460 ( -0.000 8.618 -0.519) 8.633 7.523 ( 0.000 -17.302 4.799) 17.956 8.015 ( 0.000 0.169 -8.334) 8.335======================= Grid point 907 (264/288) =======================q-point: ( 0.57 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.625 ( -0.497 7.658 -5.796) 9.617 1.850 ( 11.449 4.645 -9.150) 15.374 2.063 ( 0.338 11.557 7.920) 14.015 2.297 ( 2.175 9.109 -3.639) 10.047 2.862 ( 1.081 8.682 3.625) 9.470 3.480 ( 2.853 14.250 2.863) 14.812 5.374 ( 4.602 8.356 0.644) 9.561 5.928 ( -1.930 -4.431 -0.939) 4.924 6.108 ( 0.005 -1.284 -0.375) 1.338 6.531 ( 0.972 2.369 1.261) 2.855 7.342 ( -1.936 -17.523 2.887) 17.865 7.961 ( -3.710 0.741 -6.201) 7.264======================= Grid point 908 (265/288) =======================q-point: ( 0.64 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.733 ( 4.371 8.621 -2.158) 9.904 2.020 ( 6.229 2.750 -3.991) 7.893 2.292 ( 8.014 14.936 2.785) 17.178 2.413 ( 2.665 6.452 -0.651) 7.011 2.939 ( 0.519 3.087 1.337) 3.404 3.691 ( 4.172 12.619 1.214) 13.346 5.569 ( 6.933 9.192 0.235) 11.516 5.853 ( -2.057 -2.577 -0.642) 3.359 6.107 ( 0.352 0.695 -0.275) 0.827 6.542 ( -0.359 -1.464 1.010) 1.814 7.129 ( -4.218 -15.090 0.833) 15.690 7.880 ( -3.878 -0.207 -2.567) 4.655======================= Grid point 909 (266/288) =======================q-point: ( 0.71 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.907 ( 5.115 8.859 -0.000) 10.230 2.123 ( 2.546 4.410 0.000) 5.093 2.505 ( 2.138 3.703 -0.000) 4.276 2.589 ( 7.418 12.848 -0.000) 14.836 2.971 ( 1.019 1.765 -0.000) 2.038 3.864 ( 4.016 6.955 -0.000) 8.031 5.773 ( 4.869 8.433 -0.000) 9.737 5.816 ( 0.235 0.407 -0.000) 0.470 6.130 ( 0.917 1.589 -0.000) 1.835 6.513 ( -0.880 -1.524 -0.000) 1.759 6.911 ( -5.948 -10.303 -0.000) 11.897 7.815 ( -1.450 -2.511 -0.000) 2.900======================= Grid point 922 (267/288) =======================q-point: ( 0.57 0.57 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.712 ( 0.000 4.966 -10.089) 11.245 1.717 ( -0.000 5.971 -7.671) 9.721 2.178 ( -0.000 9.670 5.375) 11.064 2.364 ( -0.000 8.569 -0.210) 8.572 2.947 ( -0.000 5.703 3.685) 6.790 3.623 ( -0.000 16.060 2.946) 16.328 5.409 ( -0.000 7.053 0.603) 7.079 5.903 ( 0.000 -3.111 -1.491) 3.450 6.098 ( 0.000 0.030 -0.327) 0.328 6.548 ( -0.000 0.175 3.716) 3.720 7.185 ( 0.000 -17.626 1.227) 17.669 7.986 ( 0.000 1.114 -5.726) 5.834======================= Grid point 923 (268/288) =======================q-point: ( 0.64 0.57 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.737 ( 2.662 7.201 -4.395) 8.846 1.867 ( 9.501 3.323 -7.436) 12.515 2.324 ( 4.426 10.425 3.176) 11.762 2.452 ( 0.815 6.485 1.383) 6.681 2.983 ( -1.075 1.412 3.058) 3.535 3.793 ( 0.723 14.241 0.977) 14.293 5.529 ( 5.873 6.249 0.159) 8.577 5.862 ( -1.490 -1.120 -1.353) 2.303 6.111 ( 0.420 1.866 -0.185) 1.922 6.546 ( -0.745 -1.918 4.187) 4.666 7.010 ( -0.732 -15.769 -0.406) 15.791 7.948 ( -3.658 0.974 -3.671) 5.274======================= Grid point 939 (269/288) =======================q-point: (-0.36 -0.36 -0.71)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.768 ( -0.000 6.386 -5.130) 8.192 1.798 ( -0.000 5.182 -2.337) 5.685 2.380 ( -0.000 7.903 1.642) 8.072 2.511 ( -0.000 5.179 2.173) 5.617 3.000 ( 0.000 -2.008 2.943) 3.563 3.928 ( -0.000 12.601 -0.638) 12.617 5.522 ( -0.000 3.903 0.084) 3.904 5.871 ( -0.000 1.062 -1.289) 1.670 6.132 ( -0.000 3.196 -0.102) 3.198 6.544 ( -0.000 -3.267 5.577) 6.463 6.861 ( 0.000 -13.417 -2.380) 13.627 7.982 ( 0.000 1.081 -2.911) 3.105======================= Grid point 1078 (270/288) =======================q-point: ( 0.36 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.027 ( -0.000 -0.000 15.849) 15.849 1.027 ( -0.000 -0.000 15.849) 15.849 1.807 ( -0.000 -0.000 30.742) 30.742 1.910 ( 0.000 0.000 -7.543) 7.543 1.910 ( 0.000 0.000 -7.543) 7.543 3.439 ( 0.000 0.000 -19.711) 19.711 5.002 ( 0.000 0.000 0.034) 0.034 5.002 ( -0.000 0.000 0.034) 0.034 6.276 ( 0.000 -0.000 0.097) 0.097 6.276 ( -0.000 -0.000 0.097) 0.097 7.953 ( -0.000 -0.000 3.457) 3.457 8.283 ( 0.000 0.000 -1.772) 1.772======================= Grid point 1079 (271/288) =======================q-point: ( 0.43 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.050 ( 2.098 1.211 16.034) 16.216 1.288 ( 11.527 6.655 15.485) 20.419 1.752 ( -3.418 -1.973 -2.861) 4.874 1.944 ( 3.004 1.734 -7.566) 8.323 2.104 ( 12.445 7.185 15.360) 21.034 3.261 ( -5.391 -3.113 -13.319) 14.702 5.039 ( 2.811 1.623 -0.331) 3.263 5.504 ( 33.214 19.176 -8.422) 39.265 6.235 ( -3.561 -2.056 -0.206) 4.117 6.250 ( -2.085 -1.204 0.223) 2.418 7.937 ( -2.277 -1.315 3.763) 4.591 8.196 ( -6.702 -3.869 -2.818) 8.236======================= Grid point 1080 (272/288) =======================q-point: ( 0.50 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.209 ( 7.126 4.114 13.658) 15.945 1.484 ( -1.210 -0.698 19.401) 19.452 1.825 ( 13.592 7.847 -12.411) 20.009 2.003 ( 4.108 2.372 -7.256) 8.669 2.475 ( 15.082 8.708 8.749) 19.490 3.199 ( 3.031 1.750 -7.749) 8.503 5.130 ( 5.090 2.938 -0.598) 5.907 6.117 ( -2.615 -1.510 -0.560) 3.071 6.172 ( 20.515 11.844 -7.657) 24.895 6.189 ( -3.045 -1.758 0.315) 3.530 7.871 ( -6.206 -3.583 7.641) 10.475 7.979 ( -8.702 -5.024 -7.086) 12.296======================= Grid point 1081 (273/288) =======================q-point: ( 0.57 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.438 ( 8.731 5.041 10.239) 14.369 1.512 ( 1.312 0.757 11.404) 11.505 2.093 ( 5.547 3.202 -6.321) 8.999 2.136 ( 13.140 7.586 -3.970) 15.684 2.799 ( 10.965 6.331 -0.190) 12.663 3.350 ( 10.932 6.312 -2.352) 12.840 5.265 ( 6.558 3.786 -0.606) 7.596 5.989 ( -5.425 -3.132 0.351) 6.274 6.124 ( -2.362 -1.364 0.316) 2.746 6.515 ( 8.939 5.161 -6.001) 11.939 7.584 ( -16.371 -9.452 -0.152) 18.904 7.902 ( 0.210 0.121 1.951) 1.966======================= Grid point 1082 (274/288) =======================q-point: ( 0.64 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.621 ( 4.864 2.808 8.772) 10.416 1.651 ( 7.072 4.083 6.230) 10.271 2.223 ( 7.070 4.082 -4.236) 9.197 2.374 ( 8.202 4.735 -2.127) 9.707 2.976 ( 4.719 2.724 -2.518) 6.002 3.641 ( 13.418 7.747 -0.909) 15.521 5.413 ( 5.949 3.434 -0.368) 6.879 5.891 ( -2.889 -1.668 1.015) 3.487 6.095 ( 0.096 0.056 0.214) 0.241 6.592 ( 0.474 0.274 -5.519) 5.546 7.193 ( -16.402 -9.470 -0.438) 18.944 7.939 ( 1.598 0.923 3.993) 4.399======================= Grid point 1094 (275/288) =======================q-point: ( 0.43 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.193 ( -0.000 9.974 16.510) 19.289 1.246 ( -0.000 8.762 6.212) 10.740 1.842 ( 0.000 -0.301 -4.027) 4.038 1.858 ( 0.000 2.124 -5.267) 5.679 2.126 ( -0.000 10.503 15.886) 19.044 3.221 ( 0.000 -5.392 -12.430) 13.549 5.026 ( -0.000 2.679 0.457) 2.718 5.485 ( -0.000 36.793 -6.642) 37.387 6.231 ( 0.000 -4.138 0.002) 4.138 6.255 ( 0.000 -2.166 -0.112) 2.169 7.944 ( 0.000 -3.054 3.422) 4.587 8.195 ( 0.000 -6.898 -2.890) 7.479======================= Grid point 1095 (276/288) =======================q-point: ( 0.50 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.270 ( -0.971 9.546 10.037) 13.886 1.536 ( 10.434 8.108 12.872) 18.447 1.735 ( -4.113 4.861 -7.593) 9.910 1.953 ( 4.292 4.912 -9.221) 11.295 2.377 ( 9.595 10.976 10.853) 18.175 3.159 ( 0.748 1.143 -7.377) 7.502 5.093 ( 3.201 4.341 0.069) 5.394 5.977 ( 15.707 26.283 -5.422) 31.095 6.156 ( -2.889 -4.977 -0.471) 5.774 6.213 ( -1.802 -2.617 -0.005) 3.177 7.901 ( -1.549 -5.949 5.883) 8.509 8.046 ( -6.667 -7.106 -6.019) 11.453======================= Grid point 1096 (277/288) =======================q-point: ( 0.57 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.412 ( 3.939 6.823 6.795) 10.404 1.650 ( -4.287 9.665 11.208) 15.408 1.921 ( 13.126 4.922 -4.272) 14.655 2.074 ( 5.585 9.391 -6.632) 12.782 2.679 ( 10.322 8.443 1.308) 13.399 3.251 ( 6.979 7.016 -2.412) 10.186 5.219 ( 4.883 6.420 -0.327) 8.073 6.034 ( -4.304 -5.118 0.159) 6.689 6.151 ( -2.275 -2.087 0.180) 3.093 6.397 ( 10.731 11.103 -3.928) 15.933 7.721 ( -11.060 -12.788 1.398) 16.965 7.905 ( -1.315 -0.889 -0.772) 1.765======================= Grid point 1097 (278/288) =======================q-point: ( 0.64 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.572 ( 5.473 5.297 5.238) 9.244 1.755 ( -1.949 12.703 10.850) 16.819 2.129 ( 8.606 5.564 -5.987) 11.869 2.285 ( 7.865 7.489 -1.117) 10.918 2.892 ( 7.115 4.089 -2.585) 8.604 3.500 ( 11.565 9.367 -1.347) 14.943 5.379 ( 4.969 7.947 -0.367) 9.379 5.920 ( -3.263 -3.856 0.749) 5.106 6.105 ( -1.150 -0.572 0.220) 1.303 6.555 ( 2.657 1.672 -3.791) 4.922 7.363 ( -14.791 -11.282 -1.372) 18.653 7.912 ( 2.098 -1.594 3.827) 4.647======================= Grid point 1110 (279/288) =======================q-point: ( 0.50 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.425 ( -0.000 9.091 -7.046) 11.502 1.504 ( -0.000 7.719 13.108) 15.212 1.873 ( -0.000 3.566 4.696) 5.896 1.904 ( -0.000 11.244 -16.469) 19.941 2.458 ( -0.000 13.558 11.202) 17.587 3.157 ( -0.000 4.363 -4.104) 5.990 5.115 ( -0.000 5.744 0.829) 5.803 6.105 ( -0.000 14.908 0.293) 14.911 6.132 ( -0.000 5.037 -3.056) 5.891 6.195 ( 0.000 -3.435 -0.334) 3.451 7.849 ( 0.000 -11.328 6.700) 13.161 8.019 ( 0.000 -4.748 -8.032) 9.330======================= Grid point 1111 (280/288) =======================q-point: ( 0.57 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.460 ( -0.248 7.166 -2.878) 7.726 1.714 ( 11.523 5.379 -2.674) 12.995 1.885 ( -3.768 9.835 4.691) 11.530 2.062 ( 5.070 11.351 -5.510) 13.598 2.662 ( 4.147 11.887 5.003) 13.547 3.242 ( 2.999 9.439 -0.419) 9.913 5.215 ( 3.495 7.342 0.512) 8.147 6.036 ( -2.405 -6.087 -0.237) 6.549 6.152 ( -0.840 -2.954 -0.227) 3.080 6.379 ( 5.104 14.174 -0.128) 15.065 7.702 ( -3.330 -16.424 4.557) 17.367 7.933 ( -3.127 -0.410 -6.025) 6.800======================= Grid point 1112 (281/288) =======================q-point: ( 0.64 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.563 ( 4.217 7.305 -0.000) 8.435 1.944 ( 2.744 4.753 -0.000) 5.488 1.995 ( 7.958 13.783 -0.000) 15.915 2.253 ( 5.342 9.252 -0.000) 10.683 2.838 ( 4.054 7.021 -0.000) 8.107 3.441 ( 6.889 11.931 -0.000) 13.777 5.379 ( 5.353 9.271 -0.000) 10.705 5.930 ( -2.859 -4.951 -0.000) 5.717 6.114 ( -0.779 -1.350 -0.000) 1.559 6.531 ( 2.054 3.557 -0.000) 4.107 7.440 ( -8.695 -15.060 -0.000) 17.390 7.885 ( -0.606 -1.050 -0.000) 1.212======================= Grid point 1126 (282/288) =======================q-point: ( 0.57 0.57 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.538 ( -0.000 8.580 -10.924) 13.891 1.600 ( 0.000 2.572 -6.689) 7.166 2.028 ( -0.000 7.141 7.435) 10.309 2.130 ( -0.000 14.642 -3.135) 14.974 2.775 ( -0.000 11.997 4.973) 12.987 3.331 ( -0.000 12.970 1.625) 13.071 5.258 ( -0.000 7.665 0.827) 7.709 5.994 ( 0.000 -5.971 -0.689) 6.011 6.127 ( 0.000 -2.758 -0.402) 2.787 6.472 ( -0.000 9.914 3.041) 10.370 7.564 ( 0.000 -18.599 3.594) 18.943 7.944 ( 0.000 0.663 -6.440) 6.474======================= Grid point 1300 (283/288) =======================q-point: ( 0.43 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.149 ( -0.000 -0.000 9.642) 9.642 1.149 ( -0.000 -0.000 9.642) 9.642 1.847 ( 0.000 0.000 -5.441) 5.441 1.847 ( 0.000 0.000 -5.441) 5.441 2.052 ( -0.000 -0.000 20.175) 20.175 3.271 ( 0.000 0.000 -14.711) 14.711 5.003 ( 0.000 -0.000 0.020) 0.020 5.003 ( -0.000 0.000 0.020) 0.020 6.277 ( -0.000 -0.000 0.054) 0.054 6.277 ( -0.000 -0.000 0.054) 0.054 7.979 ( -0.000 -0.000 2.086) 2.086 8.268 ( 0.000 0.000 -1.163) 1.163======================= Grid point 1301 (284/288) =======================q-point: ( 0.50 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.183 ( 2.633 1.520 11.686) 12.075 1.379 ( 14.335 8.276 2.314) 16.714 1.730 ( -6.633 -3.830 0.969) 7.720 1.876 ( 2.718 1.569 -6.537) 7.252 2.232 ( 9.882 5.705 9.365) 14.762 3.154 ( -3.360 -1.940 -8.000) 8.891 5.035 ( 2.666 1.539 -0.468) 3.114 5.451 ( 31.073 17.940 -2.948) 36.001 6.233 ( -3.662 -2.114 -0.183) 4.232 6.252 ( -2.027 -1.170 0.229) 2.352 7.964 ( -1.649 -0.952 1.803) 2.622 8.176 ( -7.516 -4.339 -1.310) 8.777======================= Grid point 1302 (285/288) =======================q-point: ( 0.57 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.332 ( 6.613 3.818 12.027) 14.246 1.598 ( -2.749 -1.587 -1.700) 3.601 1.770 ( 16.058 9.271 7.015) 19.825 1.933 ( 4.143 2.392 -7.362) 8.780 2.516 ( 12.466 7.197 -0.735) 14.413 3.148 ( 4.474 2.583 -2.502) 5.740 5.123 ( 5.046 2.913 -0.792) 5.880 6.112 ( 16.594 9.580 -0.712) 19.174 6.125 ( 1.393 0.804 -2.046) 2.602 6.192 ( -3.020 -1.744 0.361) 3.506 7.913 ( -8.756 -5.055 -6.864) 12.220 7.944 ( -5.843 -3.374 7.839) 10.343======================= Grid point 1316 (286/288) =======================q-point: ( 0.50 0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.258 ( -0.000 5.419 -3.686) 6.554 1.329 ( -0.000 12.758 11.408) 17.115 1.782 ( 0.000 -2.669 -8.659) 9.061 1.832 ( -0.000 1.664 2.157) 2.724 2.247 ( -0.000 9.602 6.800) 11.766 3.135 ( 0.000 -3.404 -4.365) 5.535 5.031 ( -0.000 2.876 0.513) 2.922 5.446 ( -0.000 35.359 -1.738) 35.402 6.232 ( 0.000 -4.247 0.112) 4.248 6.254 ( 0.000 -2.255 -0.189) 2.262 7.967 ( 0.000 -2.058 1.173) 2.369 8.175 ( 0.000 -8.389 -1.125) 8.464======================= Grid point 1317 (287/288) =======================q-point: ( 0.57 0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.323 ( 3.206 5.553 -0.000) 6.412 1.600 ( 8.289 14.358 -0.000) 16.579 1.701 ( -0.653 -1.131 0.000) 1.306 1.899 ( 2.691 4.661 0.000) 5.382 2.432 ( 6.543 11.332 -0.000) 13.085 3.121 ( 1.304 2.259 -0.000) 2.608 5.094 ( 2.690 4.658 -0.000) 5.379 5.951 ( 15.606 27.031 -0.000) 31.213 6.154 ( -3.063 -5.305 -0.000) 6.125 6.213 ( -1.595 -2.762 -0.000) 3.189 7.939 ( -1.079 -1.868 -0.000) 2.157 8.008 ( -6.741 -11.676 0.000) 13.483======================= Grid point 1527 (288/288) =======================q-point: (-0.50 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.10e-04 3.35e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.197 ( -0.000 -0.000 0.000) 0.000 1.197 ( -0.000 -0.000 0.000) 0.000 1.819 ( 0.000 0.000 -0.000) 0.000 1.819 ( -0.000 0.000 -0.000) 0.000 2.154 ( -0.000 -0.000 0.000) 0.000 3.195 ( -0.000 -0.000 0.000) 0.000 5.003 ( -0.000 -0.000 0.000) 0.000 5.003 ( -0.000 -0.000 0.000) 0.000 6.277 ( -0.000 -0.000 0.000) 0.000 6.277 ( -0.000 -0.000 0.000) 0.000 7.990 ( -0.000 -0.000 0.000) 0.000 8.263 ( -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 3/32928 10.0 377.621 377.621 966.582 -0.000 -0.000 -0.000 3/32928 20.0 116.128 116.128 127.773 0.000 -0.000 -0.000 3/32928 30.0 61.045 61.045 51.372 0.000 -0.000 -0.000 3/32928 40.0 41.523 41.523 30.707 0.000 -0.000 -0.000 3/32928 50.0 31.169 31.169 21.566 0.000 -0.000 -0.000 3/32928 60.0 24.599 24.599 16.449 0.000 -0.000 -0.000 3/32928 70.0 20.123 20.123 13.215 0.000 -0.000 -0.000 3/32928 80.0 16.942 16.942 11.013 0.000 -0.000 -0.000 3/32928 90.0 14.599 14.599 9.431 0.000 -0.000 -0.000 3/32928 100.0 12.819 12.819 8.248 0.000 -0.000 -0.000 3/32928 110.0 11.428 11.428 7.332 0.000 -0.000 -0.000 3/32928 120.0 10.314 10.314 6.603 0.000 -0.000 -0.000 3/32928 130.0 9.402 9.402 6.010 0.000 -0.000 -0.000 3/32928 140.0 8.643 8.643 5.517 0.000 -0.000 -0.000 3/32928 150.0 8.001 8.001 5.102 0.000 -0.000 -0.000 3/32928 160.0 7.451 7.451 4.747 0.000 -0.000 -0.000 3/32928 170.0 6.975 6.975 4.439 0.000 -0.000 -0.000 3/32928 180.0 6.557 6.557 4.170 0.000 -0.000 -0.000 3/32928 190.0 6.188 6.188 3.933 0.000 -0.000 -0.000 3/32928 200.0 5.860 5.860 3.722 0.000 -0.000 -0.000 3/32928 210.0 5.566 5.566 3.534 0.000 -0.000 -0.000 3/32928 220.0 5.301 5.301 3.364 0.000 -0.000 -0.000 3/32928 230.0 5.060 5.060 3.210 0.000 -0.000 -0.000 3/32928 240.0 4.842 4.842 3.069 0.000 -0.000 -0.000 3/32928 250.0 4.641 4.641 2.941 0.000 -0.000 -0.000 3/32928 260.0 4.457 4.457 2.824 0.000 -0.000 -0.000 3/32928 270.0 4.288 4.288 2.715 0.000 -0.000 -0.000 3/32928 280.0 4.131 4.131 2.615 0.000 -0.000 -0.000 3/32928 290.0 3.985 3.985 2.522 0.000 -0.000 -0.000 3/32928 300.0 3.850 3.850 2.436 0.000 -0.000 -0.000 3/32928 310.0 3.723 3.723 2.355 0.000 -0.000 -0.000 3/32928 320.0 3.605 3.605 2.280 0.000 -0.000 -0.000 3/32928 330.0 3.494 3.494 2.209 0.000 -0.000 -0.000 3/32928 340.0 3.390 3.390 2.143 0.000 -0.000 -0.000 3/32928 350.0 3.292 3.292 2.081 0.000 -0.000 -0.000 3/32928 360.0 3.200 3.200 2.022 0.000 -0.000 -0.000 3/32928 370.0 3.112 3.112 1.966 0.000 -0.000 -0.000 3/32928 380.0 3.030 3.030 1.914 0.000 -0.000 -0.000 3/32928 390.0 2.951 2.951 1.864 0.000 -0.000 -0.000 3/32928 400.0 2.877 2.877 1.817 0.000 -0.000 -0.000 3/32928 410.0 2.806 2.806 1.772 0.000 -0.000 -0.000 3/32928 420.0 2.739 2.739 1.729 0.000 -0.000 -0.000 3/32928 430.0 2.675 2.675 1.689 0.000 -0.000 -0.000 3/32928 440.0 2.614 2.614 1.650 0.000 -0.000 -0.000 3/32928 450.0 2.556 2.556 1.613 0.000 -0.000 -0.000 3/32928 460.0 2.500 2.500 1.577 0.000 -0.000 -0.000 3/32928 470.0 2.447 2.447 1.544 0.000 -0.000 -0.000 3/32928 480.0 2.396 2.396 1.511 0.000 -0.000 -0.000 3/32928 490.0 2.347 2.347 1.480 0.000 -0.000 -0.000 3/32928 500.0 2.300 2.300 1.450 0.000 -0.000 -0.000 3/32928 510.0 2.255 2.255 1.422 0.000 -0.000 -0.000 3/32928 520.0 2.211 2.211 1.394 0.000 -0.000 -0.000 3/32928 530.0 2.170 2.170 1.368 0.000 -0.000 -0.000 3/32928 540.0 2.129 2.129 1.342 0.000 -0.000 -0.000 3/32928 550.0 2.091 2.091 1.318 0.000 -0.000 -0.000 3/32928 560.0 2.053 2.053 1.294 0.000 -0.000 -0.000 3/32928 570.0 2.017 2.017 1.271 0.000 -0.000 -0.000 3/32928 580.0 1.983 1.983 1.249 0.000 -0.000 -0.000 3/32928 590.0 1.949 1.949 1.228 0.000 -0.000 -0.000 3/32928 600.0 1.917 1.917 1.208 0.000 -0.000 -0.000 3/32928 610.0 1.885 1.885 1.188 0.000 -0.000 -0.000 3/32928 620.0 1.855 1.855 1.169 0.000 -0.000 -0.000 3/32928 630.0 1.826 1.826 1.150 0.000 -0.000 -0.000 3/32928 640.0 1.797 1.797 1.132 0.000 -0.000 -0.000 3/32928 650.0 1.770 1.770 1.115 0.000 -0.000 -0.000 3/32928 660.0 1.743 1.743 1.098 0.000 -0.000 -0.000 3/32928 670.0 1.717 1.717 1.081 0.000 -0.000 -0.000 3/32928 680.0 1.692 1.692 1.065 0.000 -0.000 -0.000 3/32928 690.0 1.667 1.667 1.050 0.000 -0.000 -0.000 3/32928 700.0 1.643 1.643 1.035 0.000 -0.000 -0.000 3/32928 710.0 1.620 1.620 1.020 0.000 -0.000 -0.000 3/32928 720.0 1.598 1.598 1.006 0.000 -0.000 -0.000 3/32928 730.0 1.576 1.576 0.992 0.000 -0.000 -0.000 3/32928 740.0 1.555 1.555 0.979 0.000 -0.000 -0.000 3/32928 750.0 1.534 1.534 0.966 0.000 -0.000 -0.000 3/32928 760.0 1.514 1.514 0.953 0.000 -0.000 -0.000 3/32928 770.0 1.494 1.494 0.941 0.000 -0.000 -0.000 3/32928 780.0 1.475 1.475 0.929 0.000 -0.000 -0.000 3/32928 790.0 1.457 1.457 0.917 0.000 -0.000 -0.000 3/32928 800.0 1.439 1.439 0.905 0.000 -0.000 -0.000 3/32928 810.0 1.421 1.421 0.894 0.000 -0.000 -0.000 3/32928 820.0 1.404 1.404 0.883 0.000 -0.000 -0.000 3/32928 830.0 1.387 1.387 0.873 0.000 -0.000 -0.000 3/32928 840.0 1.370 1.370 0.862 0.000 -0.000 -0.000 3/32928 850.0 1.354 1.354 0.852 0.000 -0.000 -0.000 3/32928 860.0 1.339 1.339 0.842 0.000 -0.000 -0.000 3/32928 870.0 1.323 1.323 0.833 0.000 -0.000 -0.000 3/32928 880.0 1.308 1.308 0.823 0.000 -0.000 -0.000 3/32928 890.0 1.294 1.294 0.814 0.000 -0.000 -0.000 3/32928 900.0 1.279 1.279 0.805 0.000 -0.000 -0.000 3/32928 910.0 1.265 1.265 0.796 0.000 -0.000 -0.000 3/32928 920.0 1.252 1.252 0.787 0.000 -0.000 -0.000 3/32928 930.0 1.238 1.238 0.779 0.000 -0.000 -0.000 3/32928 940.0 1.225 1.225 0.771 0.000 -0.000 -0.000 3/32928 950.0 1.212 1.212 0.762 0.000 -0.000 -0.000 3/32928 960.0 1.200 1.200 0.755 0.000 -0.000 -0.000 3/32928 970.0 1.187 1.187 0.747 0.000 -0.000 -0.000 3/32928 980.0 1.175 1.175 0.739 0.000 -0.000 -0.000 3/32928 990.0 1.163 1.163 0.732 0.000 -0.000 -0.000 3/32928 1000.0 1.152 1.152 0.724 0.000 -0.000 -0.000 3/32928Thermal conductivity related properties were written into "kappa-m141414.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:19:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|