# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/3e637ebf-c029-4f6e-98f9-7994af3236ba/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 NaRhO2 / R-3m (166) / materials id 8830](https://mdr.nims.go.jp/datasets/43609d5f-737d-4175-8887-c5ff2883c649) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 23:02:19]-------------------------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 1.561120683689384 0.901313446965557 5.076504239999995 b -1.561120683689381 0.901313446965557 5.076504239999995 c 0.000000000000002 -1.802626893931116 5.076504239999995Atomic positions (fractional): *1 O 0.76790679214751 0.76790679214751 0.76790679214751 15.999 2 O 0.23209320785249 0.23209320785249 0.23209320785249 15.999 *3 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 *4 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906-------------------------------- unit cell ---------------------------------Lattice vectors: a 3.122241367378765 0.000000000000000 0.000000000000000 b -1.561120683689383 2.703940340896673 0.000000000000000 c 0.000000000000000 0.000000000000000 15.229512720000001Atomic positions (fractional): *1 O 0.66666666666667 0.33333333333333 0.10124012548085 15.999 > 1 2 O 0.00000000000000 0.00000000000000 0.23209320785249 15.999 > 2 3 O 0.33333333333333 0.66666666666667 0.43457345881418 15.999 > 1 4 O 0.66666666666667 0.33333333333333 0.56542654118582 15.999 > 2 5 O 0.00000000000000 0.00000000000000 0.76790679214751 15.999 > 1 6 O 0.33333333333333 0.66666666666667 0.89875987451915 15.999 > 2 *7 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 3 8 Na 0.66666666666667 0.33333333333333 0.33333333333333 22.990 > 3 9 Na 0.33333333333333 0.66666666666667 0.66666666666667 22.990 > 3 *10 Rh 0.33333333333333 0.66666666666667 0.16666666666667 102.906 > 4 11 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906 > 4 12 Rh 0.66666666666667 0.33333333333333 0.83333333333333 102.906 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 9.366724102136295 0.000000000000000 0.000000000000000 b -4.683362051068149 8.111821022690020 0.000000000000000 c 0.000000000000000 0.000000000000000 15.229512720000001Atomic positions (fractional): *1 O 0.22222222222222 0.11111111111111 0.10124012548085 15.999 > 1 2 O 0.55555555555556 0.11111111111111 0.10124012548085 15.999 > 1 3 O 0.88888888888889 0.11111111111111 0.10124012548085 15.999 > 1 4 O 0.22222222222222 0.44444444444444 0.10124012548085 15.999 > 1 5 O 0.55555555555556 0.44444444444444 0.10124012548085 15.999 > 1 6 O 0.88888888888889 0.44444444444444 0.10124012548085 15.999 > 1 7 O 0.22222222222222 0.77777777777778 0.10124012548085 15.999 > 1 8 O 0.55555555555556 0.77777777777778 0.10124012548085 15.999 > 1 9 O 0.88888888888889 0.77777777777778 0.10124012548085 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.23209320785249 15.999 > 2 11 O 0.33333333333333 0.00000000000000 0.23209320785249 15.999 > 2 12 O 0.66666666666667 0.00000000000000 0.23209320785249 15.999 > 2 13 O 0.00000000000000 0.33333333333333 0.23209320785249 15.999 > 2 14 O 0.33333333333333 0.33333333333333 0.23209320785249 15.999 > 2 15 O 0.66666666666667 0.33333333333333 0.23209320785249 15.999 > 2 16 O 0.00000000000000 0.66666666666667 0.23209320785249 15.999 > 2 17 O 0.33333333333333 0.66666666666667 0.23209320785249 15.999 > 2 18 O 0.66666666666667 0.66666666666667 0.23209320785249 15.999 > 2 19 O 0.11111111111111 0.22222222222222 0.43457345881418 15.999 > 1 20 O 0.44444444444444 0.22222222222222 0.43457345881418 15.999 > 1 21 O 0.77777777777778 0.22222222222222 0.43457345881418 15.999 > 1 22 O 0.11111111111111 0.55555555555556 0.43457345881418 15.999 > 1 23 O 0.44444444444444 0.55555555555556 0.43457345881418 15.999 > 1 24 O 0.77777777777778 0.55555555555556 0.43457345881418 15.999 > 1 25 O 0.11111111111111 0.88888888888889 0.43457345881418 15.999 > 1 26 O 0.44444444444444 0.88888888888889 0.43457345881418 15.999 > 1 27 O 0.77777777777778 0.88888888888889 0.43457345881418 15.999 > 1 28 O 0.22222222222222 0.11111111111111 0.56542654118582 15.999 > 2 29 O 0.55555555555556 0.11111111111111 0.56542654118582 15.999 > 2 30 O 0.88888888888889 0.11111111111111 0.56542654118582 15.999 > 2 31 O 0.22222222222222 0.44444444444444 0.56542654118582 15.999 > 2 32 O 0.55555555555556 0.44444444444444 0.56542654118582 15.999 > 2 33 O 0.88888888888889 0.44444444444444 0.56542654118582 15.999 > 2 34 O 0.22222222222222 0.77777777777778 0.56542654118582 15.999 > 2 35 O 0.55555555555556 0.77777777777778 0.56542654118582 15.999 > 2 36 O 0.88888888888889 0.77777777777778 0.56542654118582 15.999 > 2 37 O 0.00000000000000 0.00000000000000 0.76790679214751 15.999 > 1 38 O 0.33333333333333 0.00000000000000 0.76790679214751 15.999 > 1 39 O 0.66666666666667 0.00000000000000 0.76790679214751 15.999 > 1 40 O 0.00000000000000 0.33333333333333 0.76790679214751 15.999 > 1 41 O 0.33333333333333 0.33333333333333 0.76790679214751 15.999 > 1 42 O 0.66666666666667 0.33333333333333 0.76790679214751 15.999 > 1 43 O 0.00000000000000 0.66666666666667 0.76790679214751 15.999 > 1 44 O 0.33333333333333 0.66666666666667 0.76790679214751 15.999 > 1 45 O 0.66666666666667 0.66666666666667 0.76790679214751 15.999 > 1 46 O 0.11111111111111 0.22222222222222 0.89875987451915 15.999 > 2 47 O 0.44444444444444 0.22222222222222 0.89875987451915 15.999 > 2 48 O 0.77777777777778 0.22222222222222 0.89875987451915 15.999 > 2 49 O 0.11111111111111 0.55555555555556 0.89875987451915 15.999 > 2 50 O 0.44444444444444 0.55555555555556 0.89875987451915 15.999 > 2 51 O 0.77777777777778 0.55555555555556 0.89875987451915 15.999 > 2 52 O 0.11111111111111 0.88888888888889 0.89875987451915 15.999 > 2 53 O 0.44444444444444 0.88888888888889 0.89875987451915 15.999 > 2 54 O 0.77777777777778 0.88888888888889 0.89875987451915 15.999 > 2 *55 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 3 56 Na 0.33333333333333 0.00000000000000 0.00000000000000 22.990 > 3 57 Na 0.66666666666667 0.00000000000000 0.00000000000000 22.990 > 3 58 Na 0.00000000000000 0.33333333333333 0.00000000000000 22.990 > 3 59 Na 0.33333333333333 0.33333333333333 0.00000000000000 22.990 > 3 60 Na 0.66666666666667 0.33333333333333 0.00000000000000 22.990 > 3 61 Na 0.00000000000000 0.66666666666667 0.00000000000000 22.990 > 3 62 Na 0.33333333333333 0.66666666666667 0.00000000000000 22.990 > 3 63 Na 0.66666666666667 0.66666666666667 0.00000000000000 22.990 > 3 64 Na 0.22222222222222 0.11111111111111 0.33333333333333 22.990 > 3 65 Na 0.55555555555556 0.11111111111111 0.33333333333333 22.990 > 3 66 Na 0.88888888888889 0.11111111111111 0.33333333333333 22.990 > 3 67 Na 0.22222222222222 0.44444444444444 0.33333333333333 22.990 > 3 68 Na 0.55555555555556 0.44444444444444 0.33333333333333 22.990 > 3 69 Na 0.88888888888889 0.44444444444444 0.33333333333333 22.990 > 3 70 Na 0.22222222222222 0.77777777777778 0.33333333333333 22.990 > 3 71 Na 0.55555555555556 0.77777777777778 0.33333333333333 22.990 > 3 72 Na 0.88888888888889 0.77777777777778 0.33333333333333 22.990 > 3 73 Na 0.11111111111111 0.22222222222222 0.66666666666667 22.990 > 3 74 Na 0.44444444444444 0.22222222222222 0.66666666666667 22.990 > 3 75 Na 0.77777777777778 0.22222222222222 0.66666666666667 22.990 > 3 76 Na 0.11111111111111 0.55555555555556 0.66666666666667 22.990 > 3 77 Na 0.44444444444444 0.55555555555556 0.66666666666667 22.990 > 3 78 Na 0.77777777777778 0.55555555555556 0.66666666666667 22.990 > 3 79 Na 0.11111111111111 0.88888888888889 0.66666666666667 22.990 > 3 80 Na 0.44444444444444 0.88888888888889 0.66666666666667 22.990 > 3 81 Na 0.77777777777778 0.88888888888889 0.66666666666667 22.990 > 3 *82 Rh 0.11111111111111 0.22222222222222 0.16666666666667 102.906 > 4 83 Rh 0.44444444444444 0.22222222222222 0.16666666666667 102.906 > 4 84 Rh 0.77777777777778 0.22222222222222 0.16666666666667 102.906 > 4 85 Rh 0.11111111111111 0.55555555555556 0.16666666666667 102.906 > 4 86 Rh 0.44444444444444 0.55555555555556 0.16666666666667 102.906 > 4 87 Rh 0.77777777777778 0.55555555555556 0.16666666666667 102.906 > 4 88 Rh 0.11111111111111 0.88888888888889 0.16666666666667 102.906 > 4 89 Rh 0.44444444444444 0.88888888888889 0.16666666666667 102.906 > 4 90 Rh 0.77777777777778 0.88888888888889 0.16666666666667 102.906 > 4 91 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906 > 4 92 Rh 0.33333333333333 0.00000000000000 0.50000000000000 102.906 > 4 93 Rh 0.66666666666667 0.00000000000000 0.50000000000000 102.906 > 4 94 Rh 0.00000000000000 0.33333333333333 0.50000000000000 102.906 > 4 95 Rh 0.33333333333333 0.33333333333333 0.50000000000000 102.906 > 4 96 Rh 0.66666666666667 0.33333333333333 0.50000000000000 102.906 > 4 97 Rh 0.00000000000000 0.66666666666667 0.50000000000000 102.906 > 4 98 Rh 0.33333333333333 0.66666666666667 0.50000000000000 102.906 > 4 99 Rh 0.66666666666667 0.66666666666667 0.50000000000000 102.906 > 4 100 Rh 0.22222222222222 0.11111111111111 0.83333333333333 102.906 > 4 101 Rh 0.55555555555556 0.11111111111111 0.83333333333333 102.906 > 4 102 Rh 0.88888888888889 0.11111111111111 0.83333333333333 102.906 > 4 103 Rh 0.22222222222222 0.44444444444444 0.83333333333333 102.906 > 4 104 Rh 0.55555555555556 0.44444444444444 0.83333333333333 102.906 > 4 105 Rh 0.88888888888889 0.44444444444444 0.83333333333333 102.906 > 4 106 Rh 0.22222222222222 0.77777777777778 0.83333333333333 102.906 > 4 107 Rh 0.55555555555556 0.77777777777778 0.83333333333333 102.906 > 4 108 Rh 0.88888888888889 0.77777777777778 0.83333333333333 102.906 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 8.3022075 0.0000000 0.0000000 0.0000000 8.3022075 0.0000000 0.0000000 0.0000000 3.7657033-------------------------- Born effective charges -------------------------- 1 O -2.1011578 -0.0000000 0.0000000 0.0000000 -2.1011578 0.0000000 0.0000000 0.0000000 -1.1034558 2 O -2.1011578 -0.0000000 0.0000000 0.0000000 -2.1011578 0.0000000 0.0000000 0.0000000 -1.1034558 3 Na 1.0073750 0.0000000 0.0000000 0.0000000 1.0073750 0.0000000 0.0000000 0.0000000 1.5764381 4 Rh 3.1949406 -0.0000000 0.0000000 0.0000000 3.1949406 0.0000000 0.0000000 0.0000000 0.6304734----------------------------------------------------------------------------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: 214Finding 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: 0.107Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.114--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) 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: 214Finding 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 (xx) 0.00000000 (xx) 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 23:02:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:02:23]-------------------------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 1.561120683689384 0.901313446965557 5.076504239999995 b -1.561120683689381 0.901313446965557 5.076504239999995 c 0.000000000000002 -1.802626893931116 5.076504239999995Atomic positions (fractional): 1 O 0.76790679214751 0.76790679214751 0.76790679214751 15.999 2 O 0.23209320785249 0.23209320785249 0.23209320785249 15.999 3 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 4 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906-------------------------------- supercell ---------------------------------Lattice vectors: a 9.366724102136295 0.000000000000000 0.000000000000000 b -4.683362051068149 8.111821022690020 0.000000000000000 c 0.000000000000000 0.000000000000000 15.229512720000001Atomic positions (fractional): 1 O 0.22222222222222 0.11111111111111 0.10124012548085 15.999 > 1 2 O 0.55555555555556 0.11111111111111 0.10124012548085 15.999 > 1 3 O 0.88888888888889 0.11111111111111 0.10124012548085 15.999 > 1 4 O 0.22222222222222 0.44444444444444 0.10124012548085 15.999 > 1 5 O 0.55555555555556 0.44444444444444 0.10124012548085 15.999 > 1 6 O 0.88888888888889 0.44444444444444 0.10124012548085 15.999 > 1 7 O 0.22222222222222 0.77777777777778 0.10124012548085 15.999 > 1 8 O 0.55555555555556 0.77777777777778 0.10124012548085 15.999 > 1 9 O 0.88888888888889 0.77777777777778 0.10124012548085 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.23209320785249 15.999 > 10 11 O 0.33333333333333 0.00000000000000 0.23209320785249 15.999 > 10 12 O 0.66666666666667 0.00000000000000 0.23209320785249 15.999 > 10 13 O 0.00000000000000 0.33333333333333 0.23209320785249 15.999 > 10 14 O 0.33333333333333 0.33333333333333 0.23209320785249 15.999 > 10 15 O 0.66666666666667 0.33333333333333 0.23209320785249 15.999 > 10 16 O 0.00000000000000 0.66666666666667 0.23209320785249 15.999 > 10 17 O 0.33333333333333 0.66666666666667 0.23209320785249 15.999 > 10 18 O 0.66666666666667 0.66666666666667 0.23209320785249 15.999 > 10 19 O 0.11111111111111 0.22222222222222 0.43457345881418 15.999 > 1 20 O 0.44444444444444 0.22222222222222 0.43457345881418 15.999 > 1 21 O 0.77777777777778 0.22222222222222 0.43457345881418 15.999 > 1 22 O 0.11111111111111 0.55555555555556 0.43457345881418 15.999 > 1 23 O 0.44444444444444 0.55555555555556 0.43457345881418 15.999 > 1 24 O 0.77777777777778 0.55555555555556 0.43457345881418 15.999 > 1 25 O 0.11111111111111 0.88888888888889 0.43457345881418 15.999 > 1 26 O 0.44444444444444 0.88888888888889 0.43457345881418 15.999 > 1 27 O 0.77777777777778 0.88888888888889 0.43457345881418 15.999 > 1 28 O 0.22222222222222 0.11111111111111 0.56542654118582 15.999 > 10 29 O 0.55555555555556 0.11111111111111 0.56542654118582 15.999 > 10 30 O 0.88888888888889 0.11111111111111 0.56542654118582 15.999 > 10 31 O 0.22222222222222 0.44444444444444 0.56542654118582 15.999 > 10 32 O 0.55555555555556 0.44444444444444 0.56542654118582 15.999 > 10 33 O 0.88888888888889 0.44444444444444 0.56542654118582 15.999 > 10 34 O 0.22222222222222 0.77777777777778 0.56542654118582 15.999 > 10 35 O 0.55555555555556 0.77777777777778 0.56542654118582 15.999 > 10 36 O 0.88888888888889 0.77777777777778 0.56542654118582 15.999 > 10 37 O 0.00000000000000 0.00000000000000 0.76790679214751 15.999 > 1 38 O 0.33333333333333 0.00000000000000 0.76790679214751 15.999 > 1 39 O 0.66666666666667 0.00000000000000 0.76790679214751 15.999 > 1 40 O 0.00000000000000 0.33333333333333 0.76790679214751 15.999 > 1 41 O 0.33333333333333 0.33333333333333 0.76790679214751 15.999 > 1 42 O 0.66666666666667 0.33333333333333 0.76790679214751 15.999 > 1 43 O 0.00000000000000 0.66666666666667 0.76790679214751 15.999 > 1 44 O 0.33333333333333 0.66666666666667 0.76790679214751 15.999 > 1 45 O 0.66666666666667 0.66666666666667 0.76790679214751 15.999 > 1 46 O 0.11111111111111 0.22222222222222 0.89875987451915 15.999 > 10 47 O 0.44444444444444 0.22222222222222 0.89875987451915 15.999 > 10 48 O 0.77777777777778 0.22222222222222 0.89875987451915 15.999 > 10 49 O 0.11111111111111 0.55555555555556 0.89875987451915 15.999 > 10 50 O 0.44444444444444 0.55555555555556 0.89875987451915 15.999 > 10 51 O 0.77777777777778 0.55555555555556 0.89875987451915 15.999 > 10 52 O 0.11111111111111 0.88888888888889 0.89875987451915 15.999 > 10 53 O 0.44444444444444 0.88888888888889 0.89875987451915 15.999 > 10 54 O 0.77777777777778 0.88888888888889 0.89875987451915 15.999 > 10 55 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 55 56 Na 0.33333333333333 0.00000000000000 0.00000000000000 22.990 > 55 57 Na 0.66666666666667 0.00000000000000 0.00000000000000 22.990 > 55 58 Na 0.00000000000000 0.33333333333333 0.00000000000000 22.990 > 55 59 Na 0.33333333333333 0.33333333333333 0.00000000000000 22.990 > 55 60 Na 0.66666666666667 0.33333333333333 0.00000000000000 22.990 > 55 61 Na 0.00000000000000 0.66666666666667 0.00000000000000 22.990 > 55 62 Na 0.33333333333333 0.66666666666667 0.00000000000000 22.990 > 55 63 Na 0.66666666666667 0.66666666666667 0.00000000000000 22.990 > 55 64 Na 0.22222222222222 0.11111111111111 0.33333333333333 22.990 > 55 65 Na 0.55555555555556 0.11111111111111 0.33333333333333 22.990 > 55 66 Na 0.88888888888889 0.11111111111111 0.33333333333333 22.990 > 55 67 Na 0.22222222222222 0.44444444444444 0.33333333333333 22.990 > 55 68 Na 0.55555555555556 0.44444444444444 0.33333333333333 22.990 > 55 69 Na 0.88888888888889 0.44444444444444 0.33333333333333 22.990 > 55 70 Na 0.22222222222222 0.77777777777778 0.33333333333333 22.990 > 55 71 Na 0.55555555555556 0.77777777777778 0.33333333333333 22.990 > 55 72 Na 0.88888888888889 0.77777777777778 0.33333333333333 22.990 > 55 73 Na 0.11111111111111 0.22222222222222 0.66666666666667 22.990 > 55 74 Na 0.44444444444444 0.22222222222222 0.66666666666667 22.990 > 55 75 Na 0.77777777777778 0.22222222222222 0.66666666666667 22.990 > 55 76 Na 0.11111111111111 0.55555555555556 0.66666666666667 22.990 > 55 77 Na 0.44444444444444 0.55555555555556 0.66666666666667 22.990 > 55 78 Na 0.77777777777778 0.55555555555556 0.66666666666667 22.990 > 55 79 Na 0.11111111111111 0.88888888888889 0.66666666666667 22.990 > 55 80 Na 0.44444444444444 0.88888888888889 0.66666666666667 22.990 > 55 81 Na 0.77777777777778 0.88888888888889 0.66666666666667 22.990 > 55 82 Rh 0.11111111111111 0.22222222222222 0.16666666666667 102.906 > 82 83 Rh 0.44444444444444 0.22222222222222 0.16666666666667 102.906 > 82 84 Rh 0.77777777777778 0.22222222222222 0.16666666666667 102.906 > 82 85 Rh 0.11111111111111 0.55555555555556 0.16666666666667 102.906 > 82 86 Rh 0.44444444444444 0.55555555555556 0.16666666666667 102.906 > 82 87 Rh 0.77777777777778 0.55555555555556 0.16666666666667 102.906 > 82 88 Rh 0.11111111111111 0.88888888888889 0.16666666666667 102.906 > 82 89 Rh 0.44444444444444 0.88888888888889 0.16666666666667 102.906 > 82 90 Rh 0.77777777777778 0.88888888888889 0.16666666666667 102.906 > 82 91 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906 > 82 92 Rh 0.33333333333333 0.00000000000000 0.50000000000000 102.906 > 82 93 Rh 0.66666666666667 0.00000000000000 0.50000000000000 102.906 > 82 94 Rh 0.00000000000000 0.33333333333333 0.50000000000000 102.906 > 82 95 Rh 0.33333333333333 0.33333333333333 0.50000000000000 102.906 > 82 96 Rh 0.66666666666667 0.33333333333333 0.50000000000000 102.906 > 82 97 Rh 0.00000000000000 0.66666666666667 0.50000000000000 102.906 > 82 98 Rh 0.33333333333333 0.66666666666667 0.50000000000000 102.906 > 82 99 Rh 0.66666666666667 0.66666666666667 0.50000000000000 102.906 > 82 100 Rh 0.22222222222222 0.11111111111111 0.83333333333333 102.906 > 82 101 Rh 0.55555555555556 0.11111111111111 0.83333333333333 102.906 > 82 102 Rh 0.88888888888889 0.11111111111111 0.83333333333333 102.906 > 82 103 Rh 0.22222222222222 0.44444444444444 0.83333333333333 102.906 > 82 104 Rh 0.55555555555556 0.44444444444444 0.83333333333333 102.906 > 82 105 Rh 0.88888888888889 0.44444444444444 0.83333333333333 102.906 > 82 106 Rh 0.22222222222222 0.77777777777778 0.83333333333333 102.906 > 82 107 Rh 0.55555555555556 0.77777777777778 0.83333333333333 102.906 > 82 108 Rh 0.88888888888889 0.77777777777778 0.83333333333333 102.906 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 8.3022075 0.0000000 0.0000000 0.0000000 8.3022075 0.0000000 0.0000000 0.0000000 3.7657033-------------------------- Born effective charges -------------------------- 1 O -2.1011578 -0.0000000 0.0000000 0.0000000 -2.1011578 0.0000000 0.0000000 0.0000000 -1.1034558 2 O -2.1011578 -0.0000000 0.0000000 0.0000000 -2.1011578 0.0000000 0.0000000 0.0000000 -1.1034558 3 Na 1.0073750 0.0000000 0.0000000 0.0000000 1.0073750 0.0000000 0.0000000 0.0000000 1.5764381 4 Rh 3.1949406 -0.0000000 0.0000000 0.0000000 3.1949406 0.0000000 0.0000000 0.0000000 0.6304734----------------------------------------------------------------------------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 23:02:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:02:28]-------------------------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 1.561120683689384 0.901313446965557 5.076504239999995 b -1.561120683689381 0.901313446965557 5.076504239999995 c 0.000000000000002 -1.802626893931116 5.076504239999995Atomic positions (fractional): 1 O 0.76790679214751 0.76790679214751 0.76790679214751 15.999 2 O 0.23209320785249 0.23209320785249 0.23209320785249 15.999 3 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 4 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906-------------------------------- supercell ---------------------------------Lattice vectors: a 9.366724102136295 0.000000000000000 0.000000000000000 b -4.683362051068149 8.111821022690020 0.000000000000000 c 0.000000000000000 0.000000000000000 15.229512720000001Atomic positions (fractional): 1 O 0.22222222222222 0.11111111111111 0.10124012548085 15.999 > 1 2 O 0.55555555555556 0.11111111111111 0.10124012548085 15.999 > 1 3 O 0.88888888888889 0.11111111111111 0.10124012548085 15.999 > 1 4 O 0.22222222222222 0.44444444444444 0.10124012548085 15.999 > 1 5 O 0.55555555555556 0.44444444444444 0.10124012548085 15.999 > 1 6 O 0.88888888888889 0.44444444444444 0.10124012548085 15.999 > 1 7 O 0.22222222222222 0.77777777777778 0.10124012548085 15.999 > 1 8 O 0.55555555555556 0.77777777777778 0.10124012548085 15.999 > 1 9 O 0.88888888888889 0.77777777777778 0.10124012548085 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.23209320785249 15.999 > 10 11 O 0.33333333333333 0.00000000000000 0.23209320785249 15.999 > 10 12 O 0.66666666666667 0.00000000000000 0.23209320785249 15.999 > 10 13 O 0.00000000000000 0.33333333333333 0.23209320785249 15.999 > 10 14 O 0.33333333333333 0.33333333333333 0.23209320785249 15.999 > 10 15 O 0.66666666666667 0.33333333333333 0.23209320785249 15.999 > 10 16 O 0.00000000000000 0.66666666666667 0.23209320785249 15.999 > 10 17 O 0.33333333333333 0.66666666666667 0.23209320785249 15.999 > 10 18 O 0.66666666666667 0.66666666666667 0.23209320785249 15.999 > 10 19 O 0.11111111111111 0.22222222222222 0.43457345881418 15.999 > 1 20 O 0.44444444444444 0.22222222222222 0.43457345881418 15.999 > 1 21 O 0.77777777777778 0.22222222222222 0.43457345881418 15.999 > 1 22 O 0.11111111111111 0.55555555555556 0.43457345881418 15.999 > 1 23 O 0.44444444444444 0.55555555555556 0.43457345881418 15.999 > 1 24 O 0.77777777777778 0.55555555555556 0.43457345881418 15.999 > 1 25 O 0.11111111111111 0.88888888888889 0.43457345881418 15.999 > 1 26 O 0.44444444444444 0.88888888888889 0.43457345881418 15.999 > 1 27 O 0.77777777777778 0.88888888888889 0.43457345881418 15.999 > 1 28 O 0.22222222222222 0.11111111111111 0.56542654118582 15.999 > 10 29 O 0.55555555555556 0.11111111111111 0.56542654118582 15.999 > 10 30 O 0.88888888888889 0.11111111111111 0.56542654118582 15.999 > 10 31 O 0.22222222222222 0.44444444444444 0.56542654118582 15.999 > 10 32 O 0.55555555555556 0.44444444444444 0.56542654118582 15.999 > 10 33 O 0.88888888888889 0.44444444444444 0.56542654118582 15.999 > 10 34 O 0.22222222222222 0.77777777777778 0.56542654118582 15.999 > 10 35 O 0.55555555555556 0.77777777777778 0.56542654118582 15.999 > 10 36 O 0.88888888888889 0.77777777777778 0.56542654118582 15.999 > 10 37 O 0.00000000000000 0.00000000000000 0.76790679214751 15.999 > 1 38 O 0.33333333333333 0.00000000000000 0.76790679214751 15.999 > 1 39 O 0.66666666666667 0.00000000000000 0.76790679214751 15.999 > 1 40 O 0.00000000000000 0.33333333333333 0.76790679214751 15.999 > 1 41 O 0.33333333333333 0.33333333333333 0.76790679214751 15.999 > 1 42 O 0.66666666666667 0.33333333333333 0.76790679214751 15.999 > 1 43 O 0.00000000000000 0.66666666666667 0.76790679214751 15.999 > 1 44 O 0.33333333333333 0.66666666666667 0.76790679214751 15.999 > 1 45 O 0.66666666666667 0.66666666666667 0.76790679214751 15.999 > 1 46 O 0.11111111111111 0.22222222222222 0.89875987451915 15.999 > 10 47 O 0.44444444444444 0.22222222222222 0.89875987451915 15.999 > 10 48 O 0.77777777777778 0.22222222222222 0.89875987451915 15.999 > 10 49 O 0.11111111111111 0.55555555555556 0.89875987451915 15.999 > 10 50 O 0.44444444444444 0.55555555555556 0.89875987451915 15.999 > 10 51 O 0.77777777777778 0.55555555555556 0.89875987451915 15.999 > 10 52 O 0.11111111111111 0.88888888888889 0.89875987451915 15.999 > 10 53 O 0.44444444444444 0.88888888888889 0.89875987451915 15.999 > 10 54 O 0.77777777777778 0.88888888888889 0.89875987451915 15.999 > 10 55 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 55 56 Na 0.33333333333333 0.00000000000000 0.00000000000000 22.990 > 55 57 Na 0.66666666666667 0.00000000000000 0.00000000000000 22.990 > 55 58 Na 0.00000000000000 0.33333333333333 0.00000000000000 22.990 > 55 59 Na 0.33333333333333 0.33333333333333 0.00000000000000 22.990 > 55 60 Na 0.66666666666667 0.33333333333333 0.00000000000000 22.990 > 55 61 Na 0.00000000000000 0.66666666666667 0.00000000000000 22.990 > 55 62 Na 0.33333333333333 0.66666666666667 0.00000000000000 22.990 > 55 63 Na 0.66666666666667 0.66666666666667 0.00000000000000 22.990 > 55 64 Na 0.22222222222222 0.11111111111111 0.33333333333333 22.990 > 55 65 Na 0.55555555555556 0.11111111111111 0.33333333333333 22.990 > 55 66 Na 0.88888888888889 0.11111111111111 0.33333333333333 22.990 > 55 67 Na 0.22222222222222 0.44444444444444 0.33333333333333 22.990 > 55 68 Na 0.55555555555556 0.44444444444444 0.33333333333333 22.990 > 55 69 Na 0.88888888888889 0.44444444444444 0.33333333333333 22.990 > 55 70 Na 0.22222222222222 0.77777777777778 0.33333333333333 22.990 > 55 71 Na 0.55555555555556 0.77777777777778 0.33333333333333 22.990 > 55 72 Na 0.88888888888889 0.77777777777778 0.33333333333333 22.990 > 55 73 Na 0.11111111111111 0.22222222222222 0.66666666666667 22.990 > 55 74 Na 0.44444444444444 0.22222222222222 0.66666666666667 22.990 > 55 75 Na 0.77777777777778 0.22222222222222 0.66666666666667 22.990 > 55 76 Na 0.11111111111111 0.55555555555556 0.66666666666667 22.990 > 55 77 Na 0.44444444444444 0.55555555555556 0.66666666666667 22.990 > 55 78 Na 0.77777777777778 0.55555555555556 0.66666666666667 22.990 > 55 79 Na 0.11111111111111 0.88888888888889 0.66666666666667 22.990 > 55 80 Na 0.44444444444444 0.88888888888889 0.66666666666667 22.990 > 55 81 Na 0.77777777777778 0.88888888888889 0.66666666666667 22.990 > 55 82 Rh 0.11111111111111 0.22222222222222 0.16666666666667 102.906 > 82 83 Rh 0.44444444444444 0.22222222222222 0.16666666666667 102.906 > 82 84 Rh 0.77777777777778 0.22222222222222 0.16666666666667 102.906 > 82 85 Rh 0.11111111111111 0.55555555555556 0.16666666666667 102.906 > 82 86 Rh 0.44444444444444 0.55555555555556 0.16666666666667 102.906 > 82 87 Rh 0.77777777777778 0.55555555555556 0.16666666666667 102.906 > 82 88 Rh 0.11111111111111 0.88888888888889 0.16666666666667 102.906 > 82 89 Rh 0.44444444444444 0.88888888888889 0.16666666666667 102.906 > 82 90 Rh 0.77777777777778 0.88888888888889 0.16666666666667 102.906 > 82 91 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906 > 82 92 Rh 0.33333333333333 0.00000000000000 0.50000000000000 102.906 > 82 93 Rh 0.66666666666667 0.00000000000000 0.50000000000000 102.906 > 82 94 Rh 0.00000000000000 0.33333333333333 0.50000000000000 102.906 > 82 95 Rh 0.33333333333333 0.33333333333333 0.50000000000000 102.906 > 82 96 Rh 0.66666666666667 0.33333333333333 0.50000000000000 102.906 > 82 97 Rh 0.00000000000000 0.66666666666667 0.50000000000000 102.906 > 82 98 Rh 0.33333333333333 0.66666666666667 0.50000000000000 102.906 > 82 99 Rh 0.66666666666667 0.66666666666667 0.50000000000000 102.906 > 82 100 Rh 0.22222222222222 0.11111111111111 0.83333333333333 102.906 > 82 101 Rh 0.55555555555556 0.11111111111111 0.83333333333333 102.906 > 82 102 Rh 0.88888888888889 0.11111111111111 0.83333333333333 102.906 > 82 103 Rh 0.22222222222222 0.44444444444444 0.83333333333333 102.906 > 82 104 Rh 0.55555555555556 0.44444444444444 0.83333333333333 102.906 > 82 105 Rh 0.88888888888889 0.44444444444444 0.83333333333333 102.906 > 82 106 Rh 0.22222222222222 0.77777777777778 0.83333333333333 102.906 > 82 107 Rh 0.55555555555556 0.77777777777778 0.83333333333333 102.906 > 82 108 Rh 0.88888888888889 0.77777777777778 0.83333333333333 102.906 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 8.3022075 0.0000000 0.0000000 0.0000000 8.3022075 0.0000000 0.0000000 0.0000000 3.7657033-------------------------- Born effective charges -------------------------- 1 O -2.1011578 -0.0000000 0.0000000 0.0000000 -2.1011578 0.0000000 0.0000000 0.0000000 -1.1034558 2 O -2.1011578 -0.0000000 0.0000000 0.0000000 -2.1011578 0.0000000 0.0000000 0.0000000 -1.1034558 3 Na 1.0073750 0.0000000 0.0000000 0.0000000 1.0073750 0.0000000 0.0000000 0.0000000 1.5764381 4 Rh 3.1949406 -0.0000000 0.0000000 0.0000000 3.1949406 0.0000000 0.0000000 0.0000000 0.6304734----------------------------------------------------------------------------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 (xx) 0.00000000 (xx) --------------------------- 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 ... [ 19 19 19 ]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: 1.19, Number of G-points: 325, Lambda: 0.32Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/670) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 670Calculating 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 5.245 ( 0.000 0.000 0.000) 0.000 5.245 ( 0.000 0.000 0.000) 0.000 7.674 ( 0.000 0.000 0.000) 0.000 14.201 ( 0.000 0.000 0.000) 0.000 14.201 ( 0.000 0.000 0.000) 0.000 14.613 ( 0.000 0.000 0.000) 0.000 14.902 ( 0.000 0.000 0.000) 0.000 15.484 ( 0.000 0.000 0.000) 0.000 15.484 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/670) =======================q-point: ( 0.05 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.465 ( 21.426 12.370 6.311) 25.532 0.700 ( 32.740 18.902 -5.987) 38.276 1.417 ( 61.106 35.279 11.259) 71.451 5.267 ( 1.851 1.068 0.379) 2.170 5.533 ( 7.652 4.418 -3.403) 9.469 7.657 ( -4.978 -2.874 10.528) 11.995 14.042 ( -11.452 -6.612 1.588) 13.319 14.219 ( 1.686 0.974 -0.202) 1.958 14.721 ( 6.270 3.620 -5.647) 9.182 14.911 ( 0.764 0.441 5.928) 5.993 15.459 ( -2.292 -1.323 0.499) 2.693 17.958 ( -0.626 -0.362 -9.241) 9.269======================= Grid point 2 (3/670) =======================q-point: ( 0.11 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.030 ( 27.444 15.845 4.196) 31.966 1.442 ( 35.206 20.326 -5.393) 41.008 2.819 ( 60.268 34.795 9.626) 70.254 5.329 ( 3.450 1.992 0.843) 4.072 5.759 ( 13.013 7.513 -2.554) 15.242 7.551 ( -6.469 -3.735 3.692) 8.332 13.769 ( -12.804 -7.392 1.976) 14.916 14.274 ( 3.231 1.866 -0.364) 3.749 14.765 ( 1.261 0.728 -13.141) 13.222 15.006 ( 3.817 2.203 11.076) 11.921 15.386 ( -4.317 -2.493 0.866) 5.060 17.879 ( -4.548 -2.626 -4.519) 6.928======================= Grid point 3 (4/670) =======================q-point: ( 0.16 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.723 ( 32.997 19.051 1.847) 38.147 2.247 ( 37.889 21.875 -4.664) 43.998 4.185 ( 58.479 33.763 6.824) 67.870 5.425 ( 4.684 2.705 1.425) 5.594 6.082 ( 15.958 9.214 -2.288) 18.568 7.404 ( -7.234 -4.176 2.829) 8.819 13.493 ( -12.328 -7.117 2.559) 14.463 14.360 ( 4.460 2.575 -0.430) 5.168 14.731 ( 0.293 0.169 -13.688) 13.692 15.105 ( 1.230 0.710 10.097) 10.196 15.274 ( -5.870 -3.389 0.998) 6.851 17.714 ( -9.028 -5.212 -3.826) 11.104======================= Grid point 4 (5/670) =======================q-point: ( 0.21 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.509 ( 36.264 20.937 -0.343) 41.875 3.102 ( 39.119 22.585 -4.103) 45.357 5.478 ( 54.616 31.532 2.031) 63.097 5.549 ( 5.797 3.347 2.144) 7.028 6.440 ( 16.098 9.294 -1.718) 18.668 7.268 ( -5.426 -3.133 5.878) 8.591 13.234 ( -11.606 -6.701 3.348) 13.813 14.467 ( 5.091 2.939 -0.309) 5.887 14.688 ( 0.000 0.000 -13.508) 13.508 15.123 ( -2.413 -1.393 8.183) 8.644 15.134 ( -6.763 -3.905 0.806) 7.851 17.446 ( -13.468 -7.776 -4.230) 16.117======================= Grid point 5 (6/670) =======================q-point: ( 0.26 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.332 ( 36.995 21.359 -2.303) 42.781 3.951 ( 36.854 21.278 -3.942) 42.737 5.707 ( 7.759 4.480 3.031) 9.458 6.536 ( 30.938 17.862 -12.265) 37.771 6.807 ( 20.835 12.029 5.818) 24.751 7.289 ( 9.238 5.334 12.968) 16.792 12.993 ( -11.083 -6.399 4.219) 13.475 14.577 ( 4.375 2.526 0.234) 5.057 14.631 ( -1.470 -0.848 -11.493) 11.618 14.984 ( -6.390 -3.689 0.099) 7.379 15.058 ( -4.955 -2.861 4.078) 7.026 17.089 ( -16.574 -9.569 -4.512) 19.663======================= Grid point 6 (7/670) =======================q-point: ( 0.32 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.138 ( 35.311 20.387 -3.975) 40.966 4.684 ( 28.319 16.350 -3.965) 32.940 5.941 ( 12.649 7.303 3.785) 15.089 6.731 ( 1.099 0.634 -5.354) 5.502 7.254 ( 13.223 7.634 4.859) 16.023 7.968 ( 39.469 22.788 7.953) 46.264 12.764 ( -10.702 -6.179 4.966) 13.319 14.529 ( -5.077 -2.931 -6.861) 9.025 14.632 ( -0.993 -0.573 1.620) 1.985 14.880 ( -1.457 -0.841 -1.475) 2.237 14.946 ( -4.780 -2.760 -2.600) 6.101 16.689 ( -17.216 -9.940 -3.933) 20.265======================= Grid point 7 (8/670) =======================q-point: ( 0.37 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.872 ( 30.916 17.850 -5.158) 36.070 5.158 ( 15.058 8.694 -3.005) 17.645 6.311 ( 18.488 10.674 3.220) 21.589 6.709 ( -1.496 -0.864 0.544) 1.811 7.523 ( 9.468 5.467 4.514) 11.828 8.840 ( 34.753 20.064 2.933) 40.236 12.547 ( -10.022 -5.786 5.162) 12.671 14.352 ( -8.855 -5.112 -2.732) 10.583 14.545 ( -5.807 -3.353 1.554) 6.883 14.845 ( -2.384 -1.376 -7.586) 8.070 14.908 ( 3.107 1.794 -1.554) 3.910 16.310 ( -15.033 -8.679 -2.506) 17.538======================= Grid point 8 (9/670) =======================q-point: ( 0.42 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.380 ( 6.369 3.677 -1.476) 7.501 5.466 ( 22.807 13.167 -5.251) 26.853 6.676 ( -2.008 -1.159 2.996) 3.788 6.725 ( 15.894 9.176 1.768) 18.438 7.707 ( 5.585 3.225 3.390) 7.286 9.511 ( 23.719 13.694 0.704) 27.397 12.357 ( -8.078 -4.664 4.162) 10.214 14.143 ( -8.300 -4.792 -1.504) 9.702 14.424 ( -4.849 -2.799 0.874) 5.667 14.787 ( -0.682 -0.394 -6.911) 6.956 14.971 ( 2.576 1.487 -0.931) 3.116 16.015 ( -10.400 -6.004 -1.032) 12.053======================= Grid point 9 (10/670) =======================q-point: ( 0.47 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.464 ( 1.793 1.035 -0.414) 2.111 5.822 ( 9.119 5.265 -2.663) 10.861 6.643 ( -1.407 -0.813 1.958) 2.545 6.984 ( 6.047 3.491 0.542) 7.003 7.797 ( 1.763 1.018 1.301) 2.416 9.882 ( 8.638 4.987 0.016) 9.975 12.232 ( -3.365 -1.943 1.642) 4.218 14.002 ( -3.307 -1.910 -0.626) 3.870 14.349 ( -1.845 -1.065 0.281) 2.149 14.762 ( -0.078 -0.045 -2.665) 2.666 15.009 ( 0.933 0.539 -0.312) 1.122 15.850 ( -3.778 -2.181 -0.207) 4.367======================= Grid point 20 (11/670) =======================q-point: ( 0.05 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.576 ( 0.000 22.675 23.275) 32.494 0.823 ( 0.000 36.830 16.706) 40.441 1.365 ( -0.000 69.232 2.015) 69.261 5.253 ( -0.000 1.582 -2.374) 2.853 5.525 ( -0.000 10.295 -4.459) 11.219 7.708 ( 0.000 -11.517 18.910) 22.141 14.029 ( 0.000 -13.676 -0.717) 13.695 14.222 ( -0.000 2.083 0.388) 2.119 14.742 ( -0.000 7.203 -1.893) 7.448 14.930 ( 0.000 0.499 9.619) 9.632 15.453 ( 0.000 -2.900 -0.538) 2.949 17.903 ( -0.000 3.821 -19.054) 19.433======================= Grid point 21 (12/670) =======================q-point: ( 0.11 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.886 ( 6.977 23.201 19.063) 30.828 1.365 ( 13.816 39.999 3.873) 42.494 2.430 ( 39.795 56.676 7.295) 69.635 5.294 ( 3.255 2.248 -1.982) 4.424 5.679 ( 6.239 12.422 -2.926) 14.206 7.609 ( -4.441 -8.083 7.152) 11.671 13.830 ( -6.080 -13.550 0.289) 14.854 14.274 ( 1.729 3.456 -0.305) 3.876 14.756 ( -2.437 4.984 -8.936) 10.519 14.995 ( 2.142 0.886 12.093) 12.313 15.412 ( -1.273 -3.590 0.351) 3.826 17.871 ( -0.410 -1.968 -9.693) 9.899======================= Grid point 22 (13/670) =======================q-point: ( 0.16 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.408 ( 22.463 20.804 10.887) 32.495 2.066 ( 21.773 40.415 -0.491) 45.909 3.712 ( 47.108 48.864 6.647) 68.199 5.385 ( 4.587 3.652 -0.837) 5.923 5.944 ( 11.238 12.917 -2.630) 17.322 7.467 ( -5.403 -7.096 3.105) 9.444 13.589 ( -8.148 -11.312 1.320) 14.003 14.337 ( 2.030 3.617 -1.365) 4.366 14.718 ( -2.705 3.643 -10.192) 11.156 15.079 ( 3.687 -2.348 9.406) 10.372 15.338 ( -4.155 -3.345 2.037) 5.710 17.765 ( -4.963 -5.334 -5.884) 9.365======================= Grid point 23 (14/670) =======================q-point: ( 0.21 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.095 ( 31.722 19.444 5.323) 37.586 2.866 ( 26.500 40.076 -1.788) 48.078 4.981 ( 47.469 42.871 2.470) 64.011 5.512 ( 5.296 5.876 0.597) 7.933 6.274 ( 14.145 11.721 -2.132) 18.493 7.326 ( -4.580 -5.969 4.137) 8.586 13.350 ( -9.183 -8.826 2.291) 12.941 14.404 ( 3.965 1.474 -3.200) 5.304 14.672 ( -2.531 2.934 -8.734) 9.555 15.128 ( 2.059 -3.252 4.082) 5.610 15.219 ( -6.643 -4.239 5.105) 9.389 17.555 ( -10.091 -7.804 -4.932) 13.677======================= Grid point 24 (15/670) =======================q-point: ( 0.26 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.870 ( 36.367 18.204 1.506) 40.696 3.704 ( 27.709 38.351 -2.407) 47.375 5.655 ( 6.702 6.821 0.662) 9.585 6.139 ( 39.087 34.665 -5.985) 52.586 6.625 ( 15.953 10.205 1.625) 19.008 7.269 ( 1.680 -1.163 9.496) 9.713 13.124 ( -9.869 -6.801 3.274) 12.425 14.471 ( 5.868 -1.926 -6.935) 9.286 14.633 ( -2.094 2.187 -4.201) 5.178 15.018 ( -7.411 -9.525 1.732) 12.193 15.161 ( -2.253 2.010 4.005) 5.015 17.245 ( -14.441 -9.443 -4.737) 17.893======================= Grid point 25 (16/670) =======================q-point: ( 0.32 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.665 ( 37.403 16.421 -1.317) 40.870 4.492 ( 23.801 33.715 -3.066) 41.384 5.862 ( 8.616 9.834 2.219) 13.262 6.659 ( 7.276 5.455 -10.322) 13.756 7.095 ( 17.354 9.919 3.943) 20.374 7.632 ( 29.643 21.450 11.867) 38.466 12.907 ( -10.454 -5.295 4.141) 12.429 14.488 ( 2.519 -4.669 -10.160) 11.461 14.634 ( 0.913 1.372 1.377) 2.147 14.777 ( -6.524 -15.332 1.251) 16.709 15.148 ( -5.971 8.116 -0.424) 10.084 16.868 ( -16.722 -9.765 -4.147) 19.803======================= Grid point 26 (17/670) =======================q-point: ( 0.37 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.420 ( 35.119 13.419 -3.323) 37.742 5.091 ( 13.728 25.046 -3.479) 28.773 6.179 ( 13.770 14.927 3.040) 20.535 6.705 ( 0.868 -0.459 -2.727) 2.899 7.405 ( 11.980 4.497 4.000) 13.407 8.479 ( 34.601 24.322 4.902) 42.577 12.697 ( -10.840 -4.007 4.578) 12.431 14.357 ( -6.345 -13.084 -2.104) 14.693 14.563 ( -0.943 -9.175 -4.381) 10.211 14.694 ( 4.682 -1.839 -0.437) 5.049 15.114 ( -8.790 11.752 -2.685) 14.919 16.485 ( -16.200 -8.346 -2.756) 18.431======================= Grid point 27 (18/670) =======================q-point: ( 0.42 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.053 ( 27.591 7.892 -3.931) 28.966 5.440 ( 6.221 18.355 -3.370) 19.671 6.587 ( 12.802 12.611 3.006) 18.220 6.707 ( 1.280 2.592 0.715) 2.978 7.626 ( 8.697 2.244 3.247) 9.550 9.226 ( 27.638 17.244 1.654) 32.618 12.498 ( -10.577 -2.417 4.047) 11.580 14.076 ( -4.979 -20.247 -0.163) 20.851 14.490 ( -0.042 -3.125 -4.429) 5.420 14.751 ( 2.651 1.214 -1.485) 3.272 15.067 ( -8.041 9.930 -2.876) 13.097 16.161 ( -13.215 -4.964 -1.061) 14.156======================= Grid point 28 (19/670) =======================q-point: ( 0.47 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.407 ( 9.151 3.050 -1.769) 9.807 5.716 ( 9.774 13.050 -4.344) 16.873 6.652 ( -0.789 -2.949 2.916) 4.222 6.959 ( 6.793 12.839 1.014) 14.560 7.759 ( 4.463 0.523 1.638) 4.782 9.729 ( 16.419 7.867 0.461) 18.212 12.333 ( -8.409 0.164 2.056) 8.658 13.842 ( 1.682 -20.292 -0.281) 20.364 14.457 ( -1.235 0.805 -1.973) 2.463 14.794 ( -1.420 6.313 -1.350) 6.610 15.026 ( -3.397 3.372 -1.385) 4.983 15.949 ( -8.620 -0.122 0.068) 8.621======================= Grid point 29 (20/670) =======================q-point: (-0.47 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.486 ( -0.415 1.430 -0.400) 1.542 5.889 ( 0.108 3.035 -1.397) 3.343 6.618 ( -0.079 -2.287 0.364) 2.318 7.081 ( -3.682 5.808 0.158) 6.879 7.796 ( 0.087 -1.202 -0.630) 1.360 9.912 ( 1.189 -2.138 0.411) 2.481 12.254 ( -3.043 3.893 -1.060) 5.054 13.756 ( 9.907 -16.881 0.239) 19.575 14.452 ( -1.518 3.625 0.206) 3.935 14.816 ( -3.930 7.768 0.193) 8.708 15.015 ( 0.333 0.273 0.661) 0.789 15.875 ( -2.589 4.447 0.464) 5.166======================= Grid point 30 (21/670) =======================q-point: (-0.42 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.421 ( -6.289 -5.419 1.032) 8.366 5.753 ( -15.075 -2.121 2.768) 15.473 6.620 ( 2.424 -1.136 -3.154) 4.136 6.949 ( -14.991 0.416 -0.819) 15.019 7.736 ( -3.539 -3.807 -2.812) 5.910 9.728 ( -15.444 -10.390 0.245) 18.615 12.302 ( 3.167 6.915 -3.881) 8.539 13.847 ( 16.909 -11.840 0.724) 20.655 14.478 ( -0.368 4.083 1.908) 4.522 14.811 ( -2.544 1.583 2.033) 3.620 15.046 ( -1.238 6.119 2.434) 6.701 15.953 ( 4.669 7.391 0.880) 8.786======================= Grid point 31 (22/670) =======================q-point: (-0.37 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.093 ( -19.720 -20.154 3.702) 28.439 5.473 ( -18.976 3.829 3.008) 19.591 6.554 ( -16.459 -5.254 -3.252) 17.581 6.694 ( -3.192 1.290 -1.744) 3.859 7.586 ( -6.800 -6.333 -4.237) 10.213 9.212 ( -29.919 -15.689 -1.045) 33.799 12.449 ( 7.080 7.928 -5.270) 11.863 14.080 ( 20.211 -6.495 0.604) 21.238 14.529 ( 1.586 2.464 3.006) 4.198 14.775 ( -0.710 -5.094 3.084) 5.997 15.099 ( -4.526 12.146 3.245) 13.361 16.177 ( 11.551 9.086 1.968) 14.827======================= Grid point 32 (23/670) =======================q-point: (-0.32 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.458 ( -29.318 -24.833 3.963) 38.626 5.131 ( -28.384 0.745 4.215) 28.705 6.142 ( -19.877 -4.299 -4.061) 20.738 6.725 ( 2.586 0.684 1.094) 2.890 7.358 ( -10.087 -7.888 -4.921) 13.718 8.433 ( -40.812 -18.626 -3.915) 45.032 12.645 ( 9.026 7.695 -5.284) 12.984 14.375 ( 17.874 -1.564 1.228) 17.985 14.598 ( 3.540 0.946 2.179) 4.263 14.714 ( 0.757 -8.952 3.703) 9.717 15.142 ( -6.104 12.628 2.521) 14.250 16.517 ( 16.027 9.951 3.279) 19.148======================= Grid point 33 (24/670) =======================q-point: (-0.26 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.688 ( -33.489 -25.716 3.011) 42.331 4.532 ( -41.414 -4.216 4.652) 41.887 5.831 ( -12.320 -1.623 -3.829) 13.003 6.759 ( -2.905 -1.267 8.731) 9.289 7.051 ( -17.302 -9.457 -4.514) 20.228 7.511 ( -38.605 -16.762 -11.070) 43.518 12.861 ( 10.121 6.924 -4.532) 13.073 14.586 ( 2.545 -3.402 7.510) 8.628 14.625 ( 1.392 0.148 0.483) 1.481 14.765 ( 14.504 -3.909 -0.742) 15.040 15.152 ( -5.610 8.768 0.380) 10.416 16.910 ( 17.274 9.475 3.879) 20.080======================= Grid point 34 (25/670) =======================q-point: (-0.21 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.871 ( -34.832 -24.417 1.803) 42.576 3.740 ( -47.228 -5.642 4.463) 47.773 5.638 ( -8.626 -0.817 -2.581) 9.041 6.174 ( -56.152 -19.319 0.654) 59.386 6.628 ( -14.461 -7.110 2.283) 16.275 7.172 ( 4.086 -0.170 -8.907) 9.801 13.088 ( 11.111 5.837 -3.489) 13.027 14.514 ( -3.660 -3.757 1.881) 5.572 14.705 ( 3.144 -0.760 9.008) 9.571 14.993 ( 12.598 1.799 -3.145) 13.108 15.127 ( -3.675 3.009 -2.460) 5.349 17.288 ( 15.637 7.521 3.477) 17.697======================= Grid point 35 (26/670) =======================q-point: (-0.16 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.071 ( -34.016 -20.580 0.673) 39.763 2.898 ( -47.888 -4.438 4.348) 48.290 4.948 ( -63.724 -19.177 -3.685) 66.649 5.499 ( -6.907 -0.630 -2.074) 7.239 6.295 ( -17.119 -6.369 1.787) 18.352 7.289 ( 8.677 1.926 -2.991) 9.377 13.326 ( 12.391 4.427 -2.378) 13.371 14.425 ( -4.436 -1.450 0.995) 4.772 14.775 ( 1.500 0.168 10.721) 10.827 15.067 ( -1.790 -1.664 -7.178) 7.583 15.188 ( 8.345 2.667 -1.296) 8.856 17.594 ( 12.151 4.705 2.485) 13.265======================= Grid point 36 (27/670) =======================q-point: (-0.11 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.350 ( -31.370 -13.338 -0.117) 34.088 2.088 ( -45.731 -1.979 3.655) 45.919 3.654 ( -68.006 -14.171 -4.395) 69.605 5.385 ( -5.263 -0.673 -0.964) 5.393 5.964 ( -16.433 -3.694 1.126) 16.880 7.444 ( 8.153 1.410 -1.193) 8.360 13.575 ( 13.848 2.541 -1.270) 14.136 14.345 ( -4.658 0.374 0.385) 4.689 14.832 ( -0.453 1.500 11.549) 11.654 14.980 ( -1.717 -3.965 -9.573) 10.503 15.324 ( 5.549 1.867 -0.780) 5.906 17.804 ( 8.145 1.935 1.467) 8.499======================= Grid point 37 (28/670) =======================q-point: (-0.05 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.781 ( -27.355 -0.000 0.000) 27.355 1.345 ( -42.336 -0.000 0.000) 42.336 2.391 ( -70.630 -0.000 0.000) 70.630 5.304 ( -3.536 -0.000 0.000) 3.536 5.695 ( -13.108 -0.000 0.000) 13.108 7.570 ( 5.979 0.000 -0.000) 5.979 13.828 ( 14.680 0.000 -0.000) 14.680 14.276 ( -4.017 -0.000 0.000) 4.017 14.836 ( -5.263 -0.000 0.000) 5.263 14.899 ( -0.568 -0.000 0.000) 0.568 15.410 ( 3.947 0.000 -0.000) 3.947 17.923 ( 4.758 0.000 -0.000) 4.758======================= Grid point 40 (29/670) =======================q-point: ( 0.11 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.222 ( 0.000 28.740 19.162) 34.542 1.672 ( 0.000 39.122 15.577) 42.109 2.719 ( -0.000 68.674 0.891) 68.680 5.273 ( -0.000 2.883 -4.533) 5.372 5.762 ( -0.000 15.823 -2.167) 15.971 7.576 ( 0.000 -10.467 5.552) 11.848 13.732 ( 0.000 -15.502 -1.457) 15.570 14.285 ( -0.000 3.955 0.711) 4.018 14.800 ( -0.000 3.552 -8.602) 9.306 15.062 ( 0.000 2.496 15.099) 15.304 15.367 ( 0.000 -5.321 -0.910) 5.399 17.815 ( -0.000 -2.461 -10.209) 10.501======================= Grid point 41 (30/670) =======================q-point: ( 0.16 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.552 ( -0.082 31.163 17.655) 35.817 2.213 ( 11.259 42.409 8.054) 44.611 3.632 ( 27.148 62.230 2.340) 67.934 5.328 ( 4.598 3.519 -4.358) 7.247 5.953 ( 4.268 16.849 -2.176) 17.516 7.464 ( -2.710 -9.851 2.807) 10.596 13.552 ( -2.724 -14.494 -0.920) 14.777 14.339 ( 0.830 3.737 -1.030) 3.965 14.795 ( -1.593 5.115 -7.729) 9.405 15.071 ( -3.504 -1.970 10.204) 10.967 15.335 ( 1.007 -4.980 2.602) 5.709 17.739 ( -1.401 -5.632 -7.392) 9.398======================= Grid point 42 (31/670) =======================q-point: ( 0.21 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.997 ( 11.290 30.146 13.102) 34.755 2.908 ( 18.311 44.405 2.503) 48.097 4.750 ( 35.653 53.570 0.564) 64.353 5.462 ( 7.442 5.752 -2.325) 9.689 6.207 ( 7.952 15.405 -2.515) 17.518 7.332 ( -2.950 -8.422 3.147) 9.462 13.365 ( -3.862 -12.152 0.242) 12.754 14.362 ( 0.238 1.702 -5.127) 5.408 14.778 ( -5.645 6.351 -2.710) 8.919 15.046 ( 3.007 -4.753 2.019) 5.976 15.282 ( -3.483 -5.545 6.528) 9.246 17.591 ( -5.612 -8.461 -5.535) 11.564======================= Grid point 43 (32/670) =======================q-point: ( 0.26 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.597 ( 21.844 27.160 7.923) 35.743 3.689 ( 21.970 43.926 0.017) 49.114 5.581 ( 11.719 11.014 -4.769) 16.774 5.907 ( 30.937 41.429 -1.698) 51.734 6.495 ( 11.403 11.996 -1.050) 16.584 7.254 ( 0.524 -4.244 7.459) 8.598 13.187 ( -5.214 -9.317 1.566) 10.791 14.355 ( 1.612 -1.026 -8.788) 8.993 14.717 ( -5.589 2.508 1.116) 6.227 15.026 ( -2.838 -8.813 -0.012) 9.259 15.208 ( -0.778 0.328 5.033) 5.103 17.346 ( -10.448 -10.204 -4.717) 15.347======================= Grid point 44 (33/670) =======================q-point: ( 0.32 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.292 ( 28.241 23.584 3.599) 36.969 4.470 ( 21.170 40.329 -1.449) 45.571 5.823 ( 9.163 10.650 -1.060) 14.089 6.554 ( 9.866 13.213 -12.973) 20.982 6.909 ( 19.195 14.017 3.150) 23.976 7.456 ( 18.925 16.443 12.961) 28.223 13.016 ( -6.959 -6.558 2.810) 9.966 14.339 ( 3.354 -3.983 -10.698) 11.898 14.666 ( -2.715 0.636 2.354) 3.649 14.784 ( -9.922 -15.641 2.670) 18.714 15.271 ( 0.206 7.689 -0.088) 7.692 17.019 ( -14.063 -10.526 -4.012) 18.018======================= Grid point 45 (34/670) =======================q-point: ( 0.37 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.009 ( 30.350 19.645 0.295) 36.155 5.124 ( 14.104 31.565 -2.763) 34.683 6.131 ( 12.218 16.760 1.282) 20.780 6.661 ( 2.558 1.323 -6.088) 6.735 7.244 ( 12.788 3.837 3.012) 13.687 8.199 ( 30.729 27.968 6.452) 42.049 12.843 ( -8.663 -4.060 3.580) 10.215 14.295 ( 0.023 -10.261 -6.707) 12.258 14.452 ( -7.130 -15.900 -1.376) 17.480 14.670 ( 0.642 1.312 1.851) 2.358 15.329 ( -3.995 10.564 -1.737) 11.427 16.660 ( -15.182 -8.997 -2.772) 17.864======================= Grid point 46 (35/670) =======================q-point: ( 0.42 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.674 ( 28.031 15.050 -1.909) 31.873 5.526 ( 5.406 21.231 -3.326) 22.159 6.535 ( 11.217 14.412 2.977) 18.504 6.703 ( 3.733 6.562 -1.884) 7.781 7.481 ( 11.331 1.050 2.497) 11.650 8.951 ( 27.134 20.802 2.312) 34.268 12.671 ( -9.853 -1.507 3.454) 10.549 13.991 ( -9.690 -22.209 1.397) 24.272 14.350 ( 5.050 -7.550 -8.665) 12.554 14.729 ( 2.866 3.398 1.597) 4.724 15.319 ( -8.718 10.671 -2.640) 14.030 16.338 ( -13.436 -5.164 -1.048) 14.432======================= Grid point 47 (36/670) =======================q-point: ( 0.47 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.199 ( 19.681 9.597 -2.603) 22.050 5.749 ( 2.578 15.629 -3.470) 16.216 6.633 ( 0.862 -2.960 2.462) 3.945 7.004 ( 7.033 19.243 1.071) 20.516 7.662 ( 8.388 0.453 1.142) 8.478 9.508 ( 19.858 10.436 0.607) 22.441 12.512 ( -10.028 1.633 2.081) 10.371 13.649 ( -4.334 -22.310 0.576) 22.735 14.348 ( 6.129 -7.538 -5.196) 11.017 14.838 ( 3.639 6.239 1.686) 7.417 15.227 ( -11.715 8.397 -2.848) 14.692 16.114 ( -10.056 0.475 0.315) 10.073======================= Grid point 48 (37/670) =======================q-point: ( 0.53 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.475 ( 5.731 4.720 -1.574) 7.589 5.910 ( 2.244 9.980 -3.217) 10.724 6.606 ( -0.911 -3.460 2.044) 4.120 7.205 ( -0.943 10.643 0.767) 10.713 7.769 ( 2.709 1.143 -0.557) 2.993 9.811 ( 9.280 0.078 0.471) 9.292 12.393 ( -7.882 5.412 -0.533) 9.576 13.447 ( 4.842 -19.256 0.312) 19.858 14.373 ( 6.543 -7.355 -0.833) 9.880 14.980 ( 3.504 8.730 2.302) 9.684 15.086 ( -11.753 6.120 -2.300) 13.449 16.007 ( -6.385 5.385 0.729) 8.384======================= Grid point 49 (38/670) =======================q-point: (-0.42 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.492 ( -5.223 -1.453 -0.069) 5.422 5.944 ( -6.411 4.051 -0.178) 7.586 6.569 ( 0.404 -2.255 -1.189) 2.582 7.194 ( -9.572 5.283 -0.355) 10.939 7.753 ( -3.727 -1.781 -2.000) 4.589 9.814 ( -4.808 -7.823 0.778) 9.215 12.362 ( -2.850 8.527 -3.336) 9.590 13.449 ( 14.382 -14.171 0.447) 20.196 14.418 ( 6.397 -6.840 3.250) 9.913 14.941 ( -8.808 1.673 -1.311) 9.061 15.141 ( 1.426 13.060 2.818) 13.437 16.007 ( -1.526 7.984 0.741) 8.162======================= Grid point 50 (39/670) =======================q-point: (-0.37 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.249 ( -16.620 -12.293 2.038) 20.772 5.806 ( -13.955 5.178 1.836) 14.997 6.568 ( 1.873 -1.586 -3.485) 4.262 6.981 ( -19.878 3.299 -1.105) 20.180 7.614 ( -6.256 -6.404 -3.225) 9.516 9.505 ( -20.269 -12.032 0.338) 23.574 12.435 ( 2.384 9.462 -4.917) 10.927 13.646 ( 21.331 -8.602 0.185) 23.001 14.473 ( 5.681 -6.241 6.224) 10.486 14.813 ( -6.501 -0.754 -0.617) 6.574 15.288 ( -1.305 13.874 2.853) 14.224 16.124 ( 5.510 8.795 1.208) 10.449======================= Grid point 51 (40/670) =======================q-point: (-0.32 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.727 ( -27.000 -18.861 3.049) 33.076 5.592 ( -20.099 5.750 2.846) 21.098 6.462 ( -17.766 -1.946 -3.856) 18.283 6.719 ( -5.317 2.225 -0.441) 5.780 7.410 ( -7.685 -8.513 -3.992) 12.144 8.913 ( -34.606 -13.528 -1.181) 37.175 12.579 ( 5.951 8.651 -5.023) 11.640 13.975 ( 24.137 -3.975 -0.474) 24.467 14.527 ( 4.888 -6.253 7.857) 11.168 14.705 ( -4.350 -1.888 -0.580) 4.777 15.368 ( -5.264 11.883 2.039) 13.156 16.373 ( 12.740 8.955 2.222) 15.731======================= Grid point 52 (41/670) =======================q-point: (-0.26 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.033 ( -33.155 -19.750 2.628) 38.681 5.195 ( -34.423 2.190 3.864) 34.708 6.077 ( -19.623 0.058 -3.799) 19.987 6.757 ( 3.646 1.404 2.727) 4.764 7.163 ( -10.051 -8.270 -4.466) 13.761 8.087 ( -45.959 -13.432 -3.790) 48.031 12.760 ( 8.109 7.013 -4.189) 11.510 14.350 ( 22.597 -0.864 -0.520) 22.619 14.559 ( 3.262 -8.187 7.373) 11.491 14.640 ( -1.123 0.499 -0.806) 1.470 15.357 ( -7.919 7.884 0.974) 11.217 16.720 ( 16.714 8.142 2.780) 18.798======================= Grid point 53 (42/670) =======================q-point: (-0.21 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.271 ( -36.225 -16.926 1.689) 40.020 4.522 ( -45.873 -0.622 3.250) 45.993 5.809 ( -12.581 1.044 -2.414) 12.853 6.790 ( -8.272 -2.905 4.182) 9.714 6.874 ( -24.472 -4.819 5.152) 25.469 7.174 ( -29.640 -9.115 -13.603) 33.863 12.955 ( 9.555 4.891 -2.897) 11.118 14.522 ( -0.868 -5.021 3.824) 6.371 14.643 ( 6.605 -0.300 2.676) 7.133 14.735 ( 16.123 0.737 -1.918) 16.253 15.270 ( -8.836 3.562 -0.075) 9.528 17.088 ( 17.070 5.952 2.386) 18.235======================= Grid point 54 (43/670) =======================q-point: (-0.16 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.519 ( -36.938 -10.496 0.720) 38.407 3.713 ( -49.270 -0.792 2.075) 49.320 5.628 ( -9.680 0.423 -0.590) 9.707 5.896 ( -62.988 -7.477 -1.601) 63.451 6.539 ( -16.628 -3.175 1.766) 17.020 7.134 ( 9.411 0.274 -3.152) 9.929 13.156 ( 10.921 2.465 -1.432) 11.287 14.471 ( -2.282 -1.626 1.223) 3.057 14.734 ( 5.090 -0.491 3.318) 6.096 15.012 ( 14.064 1.400 -1.698) 14.235 15.139 ( -8.268 0.086 -0.787) 8.306 17.410 ( 14.922 2.925 1.301) 15.261======================= Grid point 55 (44/670) =======================q-point: (-0.11 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.853 ( -35.435 -0.000 0.000) 35.435 2.884 ( -48.529 -0.000 0.000) 48.529 4.739 ( -67.968 -0.000 0.000) 67.968 5.487 ( -7.361 -0.000 0.000) 7.361 6.236 ( -17.438 -0.000 0.000) 17.438 7.297 ( 9.632 0.000 -0.000) 9.632 13.362 ( 12.475 0.000 -0.000) 12.475 14.418 ( -3.559 -0.000 0.000) 3.559 14.826 ( 4.644 0.000 -0.000) 4.644 15.006 ( -6.368 -0.000 0.000) 6.368 15.212 ( 9.038 0.000 -0.000) 9.038 17.650 ( 11.581 0.000 -0.000) 11.581======================= Grid point 60 (45/670) =======================q-point: ( 0.16 0.16 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.958 ( 0.000 34.862 14.308) 37.684 2.563 ( 0.000 41.821 14.021) 44.109 4.044 ( -0.000 67.209 -0.946) 67.216 5.300 ( -0.000 3.744 -6.314) 7.340 6.088 ( -0.000 18.578 -2.264) 18.715 7.392 ( 0.000 -10.741 2.091) 10.943 13.417 ( 0.000 -15.496 -2.034) 15.629 14.383 ( -0.000 5.394 0.971) 5.480 14.798 ( -0.000 2.700 -8.691) 9.101 15.183 ( 0.000 -0.900 13.932) 13.961 15.239 ( 0.000 -6.951 -1.064) 7.032 17.664 ( -0.000 -7.129 -6.796) 9.849======================= Grid point 61 (46/670) =======================q-point: ( 0.21 0.16 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.322 ( -2.203 36.436 13.422) 38.892 3.116 ( 10.463 44.060 9.034) 46.177 4.848 ( 18.275 61.375 -2.313) 64.079 5.373 ( 6.698 5.147 -5.549) 10.107 6.280 ( 2.383 17.925 -3.114) 18.349 7.287 ( -1.078 -9.576 3.091) 10.120 13.259 ( -0.178 -14.589 -1.690) 14.687 14.408 ( -3.195 4.500 -1.935) 5.848 14.844 ( 4.540 4.271 -6.022) 8.667 15.043 ( -8.520 -5.324 3.508) 10.641 15.265 ( 1.546 -5.895 7.673) 9.799 17.546 ( -2.061 -9.689 -5.372) 11.268======================= Grid point 62 (47/670) =======================q-point: ( 0.26 0.16 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.728 ( 4.302 35.502 11.351) 37.520 3.806 ( 16.435 45.011 4.047) 48.088 5.477 ( 10.327 11.419 -8.035) 17.367 5.855 ( 25.128 46.685 -2.388) 53.071 6.485 ( 4.534 14.581 -3.492) 15.664 7.222 ( 0.930 -4.701 7.464) 8.870 13.121 ( 0.060 -12.658 -0.612) 12.673 14.360 ( -4.354 2.569 -6.445) 8.191 14.856 ( -8.276 -2.259 2.633) 8.973 14.950 ( 3.393 -2.967 -1.282) 4.686 15.227 ( -0.701 -3.177 5.298) 6.217 17.360 ( -5.775 -11.768 -4.343) 13.809======================= Grid point 63 (48/670) =======================q-point: ( 0.32 0.16 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.238 ( 12.790 32.335 7.778) 35.632 4.543 ( 18.188 42.572 1.290) 46.312 5.731 ( 12.110 9.628 -5.217) 16.327 6.514 ( 7.935 18.160 -14.114) 24.331 6.773 ( 14.987 16.980 2.234) 22.758 7.388 ( 13.302 16.136 12.916) 24.579 13.007 ( -0.686 -10.050 0.846) 10.109 14.276 ( -3.311 -0.801 -9.077) 9.695 14.724 ( -3.870 -4.583 1.175) 6.112 14.822 ( -9.492 -11.081 5.153) 15.474 15.301 ( 4.350 6.893 -0.314) 8.157 17.096 ( -9.621 -12.385 -3.582) 16.087======================= Grid point 64 (49/670) =======================q-point: ( 0.37 0.16 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.825 ( 19.093 27.822 4.104) 33.992 5.204 ( 13.852 34.261 -0.794) 36.964 6.064 ( 15.000 15.705 -2.218) 21.830 6.618 ( 2.202 3.564 -8.369) 9.359 7.092 ( 10.533 4.954 2.335) 11.872 8.041 ( 24.975 31.598 7.166) 40.909 12.902 ( -2.732 -6.917 2.152) 7.742 14.168 ( -1.168 -8.145 -8.499) 11.829 14.487 ( -12.674 -14.387 1.898) 19.267 14.688 ( -1.098 0.308 2.205) 2.482 15.437 ( 1.865 9.200 -1.399) 9.490 16.786 ( -11.891 -10.940 -2.554) 16.359======================= Grid point 65 (50/670) =======================q-point: ( 0.42 0.16 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.429 ( 21.703 22.563 1.100) 31.326 5.636 ( 5.938 22.591 -2.521) 23.494 6.477 ( 11.378 10.622 0.893) 15.592 6.708 ( 6.968 14.448 -3.737) 16.470 7.300 ( 10.740 0.260 1.991) 10.926 8.751 ( 23.235 24.551 2.616) 33.904 12.793 ( -5.242 -3.390 2.498) 6.724 13.953 ( -8.046 -21.228 1.175) 22.732 14.209 ( -3.607 -6.888 -7.619) 10.886 14.726 ( 2.292 3.523 1.708) 4.536 15.511 ( -3.301 8.912 -2.148) 9.743 16.489 ( -11.458 -6.882 -1.017) 13.405======================= Grid point 66 (51/670) =======================q-point: ( 0.47 0.16 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.977 ( 19.759 16.698 -0.921) 25.886 5.869 ( 1.283 16.631 -2.960) 16.941 6.581 ( 2.643 -2.668 1.135) 3.923 7.096 ( 7.542 23.564 1.102) 24.766 7.493 ( 12.313 0.802 0.021) 12.339 9.294 ( 18.528 12.933 0.432) 22.600 12.682 ( -6.976 0.622 1.501) 7.163 13.573 ( -10.698 -21.228 2.645) 23.918 14.133 ( 5.264 -9.292 -7.115) 12.832 14.837 ( 4.112 6.334 1.764) 7.755 15.476 ( -8.860 7.071 -2.724) 11.659 16.279 ( -8.854 -0.587 0.467) 8.886======================= Grid point 67 (52/670) =======================q-point: ( 0.53 0.16 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.381 ( 12.174 10.168 -1.750) 15.959 6.006 ( -0.838 13.215 -2.753) 13.524 6.584 ( 0.605 -3.321 1.814) 3.832 7.305 ( 0.604 6.562 1.792) 6.829 7.735 ( 7.217 10.955 -1.491) 13.203 9.627 ( 12.637 1.392 0.042) 12.713 12.588 ( -7.669 5.456 -0.509) 9.425 13.252 ( -4.034 -18.599 1.491) 19.090 14.137 ( 8.853 -11.214 -2.531) 14.510 14.986 ( 4.288 7.125 2.005) 8.554 15.355 ( -11.252 6.796 -2.422) 13.366 16.175 ( -6.642 4.760 0.972) 8.229======================= Grid point 68 (53/670) =======================q-point: (-0.42 0.16 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.545 ( -0.102 2.876 -1.166) 3.105 6.078 ( -3.149 9.501 -1.645) 10.143 6.552 ( -0.955 -2.862 0.740) 3.107 7.322 ( -1.751 0.097 0.172) 1.762 7.854 ( -5.270 9.238 -1.732) 10.776 9.747 ( 4.355 -6.608 0.647) 7.940 12.530 ( -7.078 9.498 -2.831) 12.179 13.119 ( 7.563 -14.561 0.687) 16.423 14.190 ( 10.380 -11.361 2.007) 15.519 15.064 ( -3.841 1.746 0.555) 4.256 15.293 ( -3.491 12.474 0.092) 12.954 16.143 ( -4.634 7.297 0.802) 8.681======================= Grid point 69 (54/670) =======================q-point: (-0.37 0.16 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.420 ( -12.964 -5.531 0.479) 14.103 6.059 ( -8.633 7.356 0.385) 11.348 6.520 ( 0.403 -1.636 -1.795) 2.461 7.256 ( -7.122 1.055 -1.331) 7.321 7.725 ( -14.100 0.872 -1.857) 14.248 9.642 ( -7.907 -9.708 0.928) 12.554 12.522 ( -3.374 10.008 -4.187) 11.361 13.226 ( 17.850 -8.667 -0.021) 19.843 14.273 ( 10.278 -10.376 5.238) 15.516 14.945 ( -8.907 0.251 -0.523) 8.926 15.426 ( 1.331 12.840 1.902) 13.048 16.170 ( -0.712 7.639 0.677) 7.702======================= Grid point 70 (55/670) =======================q-point: (-0.32 0.16 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.022 ( -24.063 -11.188 1.743) 26.594 5.941 ( -13.763 6.668 1.386) 15.356 6.518 ( 1.168 -1.212 -2.612) 3.108 7.054 ( -20.506 4.934 -1.524) 21.146 7.452 ( -10.782 -7.890 -2.238) 13.546 9.292 ( -22.892 -9.511 0.284) 24.790 12.583 ( 1.466 8.341 -4.148) 9.430 13.524 ( 23.860 -3.742 -0.723) 24.162 14.362 ( 8.742 -8.818 6.655) 14.088 14.799 ( -7.763 -0.139 -0.549) 7.784 15.548 ( -1.956 10.304 1.655) 10.617 16.290 ( 6.623 6.930 1.072) 9.645======================= Grid point 71 (56/670) =======================q-point: (-0.26 0.16 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.439 ( -31.733 -11.548 1.724) 33.813 5.713 ( -21.838 4.303 2.016) 22.349 6.418 ( -16.158 -0.411 -2.753) 16.396 6.778 ( -8.666 3.688 0.339) 9.425 7.219 ( -7.582 -8.105 -2.681) 11.417 8.693 ( -37.646 -7.837 -0.832) 38.462 12.697 ( 5.174 5.851 -3.161) 8.426 13.923 ( 25.709 -0.935 -1.078) 25.748 14.434 ( 6.096 -6.892 6.080) 11.029 14.689 ( -4.711 0.072 -0.570) 4.746 15.558 ( -6.787 6.296 0.836) 9.295 16.533 ( 13.858 5.621 1.477) 15.027======================= Grid point 72 (57/670) =======================q-point: (-0.21 0.16 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.771 ( -36.175 -7.601 0.946) 36.977 5.248 ( -37.452 0.982 1.590) 37.498 6.073 ( -18.771 0.850 -1.595) 18.858 6.815 ( 4.970 2.103 2.552) 5.970 6.999 ( -9.906 -5.026 -2.856) 11.470 7.883 ( -49.746 -5.020 -1.693) 50.027 12.841 ( 7.599 2.942 -1.654) 8.315 14.339 ( 23.821 0.195 -0.941) 23.840 14.472 ( 2.780 -3.867 3.385) 5.842 14.647 ( -0.174 0.253 -0.040) 0.310 15.461 ( -9.538 2.508 0.233) 9.865 16.848 ( 17.102 3.164 1.080) 17.425======================= Grid point 73 (58/670) =======================q-point: (-0.16 0.16 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.105 ( -37.843 -0.000 0.000) 37.843 4.530 ( -46.818 -0.000 0.000) 46.818 5.815 ( -12.741 -0.000 0.000) 12.741 6.732 ( -21.545 -0.000 0.000) 21.545 6.954 ( -51.442 -0.000 0.000) 51.442 6.966 ( 9.177 0.000 -0.000) 9.177 12.995 ( 9.320 0.000 -0.000) 9.320 14.482 ( 0.053 0.000 -0.000) 0.053 14.648 ( 6.822 0.000 -0.000) 6.822 14.739 ( 16.415 0.000 -0.000) 16.415 15.303 ( -10.232 -0.000 0.000) 10.232 17.157 ( 16.978 0.000 -0.000) 16.978======================= Grid point 80 (59/670) =======================q-point: ( 0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.762 ( 0.000 38.752 9.615) 39.927 3.488 ( 0.000 43.535 12.438) 45.277 5.303 ( -0.000 63.046 -4.024) 63.174 5.330 ( -0.000 4.259 -7.685) 8.786 6.425 ( -0.000 17.571 -4.746) 18.201 7.219 ( 0.000 -8.033 5.121) 9.527 13.104 ( 0.000 -15.083 -2.313) 15.259 14.504 ( -0.000 5.972 1.247) 6.101 14.786 ( -0.000 1.885 -8.115) 8.331 15.089 ( 0.000 -7.515 -1.101) 7.595 15.215 ( 0.000 -4.580 11.072) 11.982 17.442 ( -0.000 -11.584 -4.472) 12.417======================= Grid point 81 (60/670) =======================q-point: ( 0.26 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.137 ( -3.123 38.921 8.853) 40.037 4.040 ( 9.624 43.963 9.032) 45.901 5.395 ( 5.867 5.928 -8.380) 11.824 5.994 ( 13.405 52.881 -6.781) 54.973 6.570 ( 1.026 13.914 -6.105) 15.229 7.203 ( 1.301 -0.080 10.110) 10.193 12.964 ( 1.561 -14.335 -1.907) 14.545 14.486 ( -7.134 5.016 -2.567) 9.091 14.821 ( 2.679 -5.175 -3.426) 6.760 14.977 ( -3.019 -1.248 1.161) 3.467 15.205 ( 0.449 -5.076 6.113) 7.958 17.288 ( -2.244 -13.619 -3.563) 14.255======================= Grid point 82 (61/670) =======================q-point: ( 0.32 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.508 ( 0.315 37.106 7.859) 37.931 4.693 ( 14.134 41.977 5.171) 44.593 5.585 ( 12.012 8.096 -7.870) 16.485 6.519 ( 5.433 15.780 -14.990) 22.433 6.763 ( 7.929 18.940 0.697) 20.545 7.424 ( 9.897 23.470 12.829) 28.520 12.867 ( 3.128 -12.827 -0.868) 13.231 14.365 ( -9.361 1.247 -6.276) 11.339 14.703 ( -2.624 -9.732 0.324) 10.085 14.917 ( -7.246 -4.703 5.549) 10.267 15.260 ( 6.628 4.389 -0.787) 7.988 17.076 ( -5.100 -14.619 -2.887) 15.750======================= Grid point 83 (62/670) =======================q-point: ( 0.37 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.932 ( 6.432 33.395 5.584) 34.464 5.312 ( 12.519 32.766 2.142) 35.142 5.918 ( 17.622 15.138 -5.636) 23.905 6.584 ( 2.178 2.393 -9.520) 10.055 7.027 ( 5.859 9.033 2.012) 10.954 8.029 ( 18.231 36.140 6.973) 41.074 12.810 ( 3.528 -10.511 0.480) 11.098 14.146 ( -9.019 -9.312 -6.217) 14.378 14.573 ( -7.439 -5.716 0.972) 9.432 14.740 ( -6.158 -3.261 3.073) 7.615 15.439 ( 6.697 7.154 -1.517) 9.916 16.821 ( -7.398 -13.545 -2.114) 15.578======================= Grid point 84 (63/670) =======================q-point: ( 0.42 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.403 ( 11.704 28.263 3.030) 30.740 5.731 ( 7.375 20.026 -1.151) 21.372 6.371 ( 13.518 11.880 -1.149) 18.033 6.689 ( 10.666 14.282 -5.798) 18.744 7.183 ( 5.046 3.179 2.367) 6.416 8.676 ( 17.325 28.842 2.656) 33.750 12.777 ( 2.039 -7.087 1.427) 7.511 13.858 ( -6.614 -19.007 -2.145) 20.239 14.311 ( -14.675 -4.106 -2.961) 15.523 14.729 ( 1.903 3.050 1.714) 3.983 15.583 ( 2.703 6.396 -1.936) 7.209 16.570 ( -7.747 -9.596 -0.900) 12.366======================= Grid point 85 (64/670) =======================q-point: ( 0.47 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.878 ( 14.081 22.205 0.920) 26.309 5.983 ( 3.494 15.449 -2.307) 16.006 6.508 ( 3.553 -1.587 0.171) 3.895 7.193 ( 13.744 29.367 -0.793) 32.434 7.286 ( 9.109 -2.130 0.446) 9.366 9.162 ( 13.415 16.185 0.206) 21.022 12.744 ( -0.863 -2.837 0.849) 3.084 13.547 ( -7.086 -21.301 3.325) 22.694 14.041 ( -8.619 -5.341 -7.079) 12.367 14.838 ( 4.076 6.763 1.696) 8.077 15.624 ( -3.115 3.973 -2.610) 5.684 16.390 ( -5.863 -2.926 0.507) 6.572======================= Grid point 86 (65/670) =======================q-point: ( 0.53 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.290 ( 12.098 15.325 -0.541) 19.532 6.146 ( -0.114 13.895 -2.132) 14.058 6.536 ( 2.074 -2.401 1.055) 3.343 7.296 ( 2.113 -4.441 1.463) 5.131 7.747 ( 12.410 25.715 -1.517) 28.593 9.446 ( 9.906 2.645 -0.637) 10.273 12.703 ( -2.303 0.944 -1.269) 2.794 13.237 ( -9.932 -14.862 4.649) 18.470 13.893 ( 2.986 -10.848 -5.088) 12.349 14.994 ( 4.474 8.359 1.898) 9.669 15.552 ( -7.240 2.753 -2.643) 8.184 16.312 ( -4.358 2.941 1.102) 5.371======================= Grid point 87 (66/670) =======================q-point: ( 0.58 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.548 ( 4.714 7.546 -1.167) 8.974 6.238 ( -3.383 12.326 -1.393) 12.858 6.537 ( 0.274 -2.289 1.006) 2.515 7.274 ( 2.258 -7.278 0.258) 7.625 8.071 ( -1.840 21.279 -1.323) 21.400 9.567 ( 8.021 -7.144 -0.066) 10.741 12.694 ( -1.056 5.201 -3.277) 6.237 12.978 ( -7.375 -9.317 2.673) 12.180 13.886 ( 10.744 -13.397 0.075) 17.173 15.130 ( 0.643 6.136 1.696) 6.399 15.460 ( -5.506 5.370 -1.677) 7.872 16.288 ( -4.235 5.546 0.911) 7.037======================= Grid point 88 (67/670) =======================q-point: (-0.37 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.564 ( -7.039 -0.074 -0.565) 7.062 6.261 ( -6.216 9.618 -0.391) 11.459 6.510 ( -1.083 -1.607 -0.079) 1.940 7.246 ( 2.371 -6.059 -0.895) 6.567 8.069 ( -16.979 12.260 -1.344) 20.985 9.588 ( 3.434 -9.306 0.742) 9.947 12.708 ( -7.475 10.490 -3.701) 13.402 12.896 ( 10.316 -8.653 0.466) 13.473 13.977 ( 13.357 -11.915 3.570) 18.252 15.098 ( -8.032 1.494 0.216) 8.173 15.508 ( 1.915 8.871 0.471) 9.088 16.279 ( -3.530 5.781 0.559) 6.797======================= Grid point 89 (68/670) =======================q-point: (-0.32 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.316 ( -18.883 -4.654 0.481) 19.454 6.205 ( -9.870 6.368 0.464) 11.755 6.485 ( 0.171 -0.769 -1.154) 1.398 7.221 ( -0.298 -2.557 -1.630) 3.047 7.760 ( -26.556 2.841 -0.843) 26.721 9.479 ( -8.246 -6.840 0.676) 10.734 12.666 ( -4.267 6.436 -2.669) 8.170 13.115 ( 20.088 -2.532 -0.957) 20.270 14.114 ( 12.696 -8.478 4.418) 15.893 14.949 ( -9.717 0.346 -0.159) 9.724 15.635 ( 2.212 7.210 0.992) 7.607 16.296 ( -0.088 4.543 0.400) 4.561======================= Grid point 90 (69/670) =======================q-point: (-0.26 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.872 ( -27.777 -4.431 0.665) 28.136 6.051 ( -14.322 3.099 0.605) 14.666 6.489 ( 0.680 -0.443 -0.925) 1.231 7.148 ( -13.077 5.516 -1.346) 14.256 7.293 ( -20.705 -6.939 -0.243) 21.838 9.161 ( -23.845 -3.623 0.111) 24.119 12.680 ( 1.024 3.304 -1.597) 3.810 13.482 ( 24.792 -0.471 -0.711) 24.806 14.259 ( 10.034 -4.331 3.019) 11.338 14.797 ( -8.056 0.058 -0.164) 8.058 15.693 ( -2.619 3.626 0.525) 4.503 16.391 ( 7.539 2.638 0.436) 7.999======================= Grid point 91 (70/670) =======================q-point: (-0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.328 ( -33.468 -0.000 0.000) 33.468 5.765 ( -22.764 -0.000 0.000) 22.764 6.405 ( -14.969 -0.000 0.000) 14.969 6.832 ( -11.121 -0.000 0.000) 11.121 7.111 ( -6.455 -0.000 0.000) 6.455 8.612 ( -38.738 -0.000 0.000) 38.738 12.746 ( 4.936 0.000 -0.000) 4.936 13.913 ( 26.065 0.000 -0.000) 26.065 14.382 ( 6.381 0.000 -0.000) 6.381 14.689 ( -4.559 -0.000 0.000) 4.559 15.622 ( -7.483 -0.000 0.000) 7.483 16.595 ( 14.312 0.000 -0.000) 14.312======================= Grid point 100 (71/670) =======================q-point: ( 0.26 0.26 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.579 ( -0.000 39.403 5.048) 39.725 4.412 ( 0.000 42.153 11.495) 43.693 5.363 ( -0.000 5.380 -9.009) 10.493 6.335 ( -0.000 40.359 -12.099) 42.133 6.663 ( -0.000 12.794 -4.918) 13.707 7.289 ( 0.000 14.336 13.157) 19.458 12.800 ( 0.000 -14.496 -2.043) 14.639 14.616 ( 0.000 3.599 1.551) 3.919 14.744 ( -0.000 -1.785 -5.630) 5.906 14.948 ( 0.000 -5.220 -1.138) 5.343 15.175 ( 0.000 -4.817 5.760) 7.508 17.153 ( 0.000 -15.440 -2.730) 15.679======================= Grid point 101 (72/670) =======================q-point: ( 0.32 0.26 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.935 ( -3.491 37.764 4.070) 38.143 4.919 ( 8.240 37.645 9.582) 39.709 5.461 ( 7.828 9.200 -9.623) 15.444 6.522 ( 1.408 6.076 -13.509) 14.880 6.865 ( 3.282 20.565 -0.074) 20.826 7.618 ( 5.679 35.305 10.938) 37.395 12.678 ( 2.726 -13.834 -1.449) 14.175 14.540 ( -11.750 -0.441 -3.781) 12.351 14.648 ( -1.068 -7.413 0.600) 7.514 14.967 ( 0.428 -2.209 2.440) 3.319 15.174 ( 4.797 0.221 -0.274) 4.810 16.972 ( -1.874 -16.567 -2.127) 16.808======================= Grid point 102 (73/670) =======================q-point: ( 0.37 0.26 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.251 ( -1.705 34.320 3.491) 34.540 5.406 ( 10.516 21.144 4.014) 23.954 5.782 ( 15.557 23.417 -6.358) 28.823 6.527 ( 1.928 0.171 -8.381) 8.602 7.073 ( 2.257 12.196 1.222) 12.463 8.181 ( 10.973 40.846 6.017) 42.720 12.615 ( 5.402 -12.481 -0.461) 13.608 14.225 ( -14.153 -12.540 -3.483) 19.227 14.623 ( -0.707 1.938 0.659) 2.166 14.845 ( -9.093 -4.835 1.964) 10.484 15.344 ( 10.137 4.366 -1.884) 11.197 16.760 ( -3.383 -15.906 -1.575) 16.338======================= Grid point 103 (74/670) =======================q-point: ( 0.42 0.26 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.581 ( 2.867 29.585 2.339) 29.815 5.736 ( 10.754 11.482 -1.167) 15.775 6.281 ( 12.692 18.419 -1.205) 22.401 6.608 ( 9.907 10.753 -5.094) 15.483 7.200 ( 1.030 7.691 1.700) 7.944 8.751 ( 10.675 33.247 2.558) 35.013 12.612 ( 7.114 -10.047 0.536) 12.323 13.834 ( -12.757 -17.880 -1.917) 22.048 14.543 ( -14.786 0.472 -1.924) 14.918 14.729 ( 1.657 1.662 1.645) 2.866 15.534 ( 7.828 3.338 -1.979) 8.737 16.555 ( -3.584 -12.331 -0.699) 12.861======================= Grid point 104 (75/670) =======================q-point: ( 0.47 0.26 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.934 ( 7.069 23.940 1.144) 24.988 6.003 ( 9.075 10.283 -2.231) 13.895 6.446 ( 2.933 0.778 0.192) 3.040 7.074 ( 17.988 17.544 -1.878) 25.197 7.298 ( 3.253 11.897 0.969) 12.372 9.171 ( 6.797 20.553 0.229) 21.649 12.655 ( 6.578 -5.933 0.748) 8.890 13.459 ( -8.518 -20.255 0.626) 21.982 14.236 ( -17.949 -1.811 -4.090) 18.498 14.840 ( 4.351 7.086 1.683) 8.484 15.638 ( 2.886 0.460 -2.571) 3.893 16.416 ( -1.971 -5.703 0.471) 6.052======================= Grid point 105 (76/670) =======================q-point: ( 0.53 0.26 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.276 ( 8.656 17.432 0.174) 19.463 6.225 ( 5.695 11.130 -1.771) 12.628 6.488 ( 1.963 -0.435 0.911) 2.208 7.207 ( 1.194 -5.271 0.351) 5.415 7.762 ( 17.433 27.761 -0.753) 32.790 9.375 ( 2.481 6.026 -1.002) 6.593 12.699 ( 1.908 -1.499 -1.148) 2.684 13.192 ( -1.356 -17.539 4.657) 18.198 13.904 ( -15.153 -4.299 -5.210) 16.591 15.007 ( 4.942 9.100 1.886) 10.526 15.627 ( -1.889 -1.531 -2.788) 3.699 16.377 ( -0.697 0.502 1.067) 1.370======================= Grid point 106 (77/670) =======================q-point: ( 0.58 0.26 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.540 ( 6.007 10.176 -0.487) 11.827 6.391 ( 0.472 12.296 -1.051) 12.350 6.513 ( 1.114 -0.263 1.126) 1.606 7.145 ( 1.425 -10.028 -0.351) 10.135 8.259 ( 8.642 26.008 -0.442) 27.409 9.391 ( 2.121 -7.477 -0.961) 7.831 12.674 ( -0.394 -2.681 -2.558) 3.726 13.096 ( -2.794 -2.930 5.246) 6.627 13.650 ( -2.531 -10.755 -3.391) 11.557 15.177 ( 3.150 8.629 2.029) 9.407 15.553 ( -3.404 -0.757 -2.393) 4.229 16.385 ( -1.512 3.245 0.897) 3.690======================= Grid point 107 (78/670) =======================q-point: (-0.37 0.26 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.648 ( -1.308 3.380 -0.583) 3.671 6.454 ( -4.266 7.988 -0.721) 9.085 6.525 ( -2.099 2.506 1.023) 3.425 7.096 ( 5.298 -9.709 -0.761) 11.087 8.471 ( -11.677 19.298 -0.782) 22.569 9.371 ( 9.068 -12.056 0.082) 15.086 12.671 ( 5.642 -3.659 -1.348) 6.858 12.992 ( -12.955 7.054 -0.233) 14.753 13.633 ( 13.499 -12.497 1.534) 18.459 15.238 ( -5.077 3.701 1.005) 6.363 15.535 ( 1.858 3.012 -0.875) 3.646 16.384 ( -2.851 3.472 0.511) 4.521======================= Grid point 108 (79/670) =======================q-point: (-0.32 0.26 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.552 ( -11.460 -0.525 -0.131) 11.473 6.409 ( -7.828 4.276 -0.080) 8.920 6.496 ( -2.324 0.347 0.059) 2.350 7.128 ( 5.837 -4.010 -0.658) 7.112 8.254 ( -25.727 6.002 -0.563) 26.423 9.439 ( 6.096 -4.989 0.393) 7.887 12.781 ( 6.493 -2.765 0.542) 7.078 12.860 ( -3.450 5.387 -2.448) 6.849 13.810 ( 16.008 -6.002 2.103) 17.225 15.121 ( -9.802 0.643 0.077) 9.823 15.630 ( 4.336 3.170 0.208) 5.375 16.362 ( -2.984 2.162 0.196) 3.690======================= Grid point 109 (80/670) =======================q-point: (-0.26 0.26 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.269 ( -20.955 -0.000 0.000) 20.955 6.275 ( -10.528 -0.000 0.000) 10.528 6.475 ( -0.096 -0.000 0.000) 0.096 7.181 ( 2.285 0.000 -0.000) 2.285 7.790 ( -31.166 -0.000 0.000) 31.166 9.411 ( -7.808 -0.000 0.000) 7.808 12.720 ( -4.139 -0.000 0.000) 4.139 13.094 ( 20.154 0.000 -0.000) 20.154 14.040 ( 13.723 0.000 -0.000) 13.723 14.952 ( -10.049 -0.000 0.000) 10.049 15.710 ( 2.531 0.000 -0.000) 2.531 16.343 ( 0.172 0.000 -0.000) 0.172======================= Grid point 120 (81/670) =======================q-point: ( 0.32 0.32 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.338 ( -0.000 35.832 0.129) 35.832 5.179 ( 0.000 19.511 9.141) 21.546 5.503 ( -0.000 24.366 -8.127) 25.685 6.497 ( -0.000 0.125 -9.641) 9.641 7.028 ( -0.000 17.036 0.325) 17.039 7.991 ( -0.000 43.672 7.630) 44.333 12.513 ( 0.000 -13.824 -1.190) 13.875 14.607 ( 0.000 -5.581 0.830) 5.643 14.625 ( -0.000 -7.728 -2.019) 7.987 14.926 ( -0.000 3.614 -0.249) 3.622 15.130 ( -0.000 -1.463 -0.383) 1.513 16.812 ( 0.000 -17.756 -1.561) 17.824======================= Grid point 121 (82/670) =======================q-point: ( 0.37 0.32 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.629 ( -3.466 31.406 -1.009) 31.613 5.367 ( 8.301 5.630 0.050) 10.030 5.870 ( 7.508 35.089 -0.722) 35.890 6.475 ( 1.152 -0.263 -5.530) 5.655 7.179 ( 0.343 12.423 0.995) 12.467 8.485 ( 4.392 43.467 4.690) 43.940 12.408 ( 3.616 -13.133 -0.520) 13.631 14.335 ( -14.647 -13.305 -1.513) 19.846 14.627 ( 2.906 -0.792 0.824) 3.122 14.944 ( -4.980 -0.008 0.075) 4.981 15.196 ( 9.074 2.292 -2.227) 9.621 16.626 ( -0.850 -17.396 -1.149) 17.454======================= Grid point 122 (83/670) =======================q-point: ( 0.42 0.32 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.854 ( -1.742 25.819 -0.751) 25.888 5.594 ( 12.964 4.681 -3.094) 14.126 6.311 ( 6.247 19.947 0.690) 20.914 6.553 ( 8.418 12.740 -2.123) 15.417 7.285 ( -0.503 9.008 1.097) 9.088 8.972 ( 4.730 36.065 2.366) 36.450 12.379 ( 7.346 -11.534 0.227) 13.676 13.916 ( -16.735 -15.770 -1.197) 23.026 14.701 ( 4.279 1.850 1.384) 4.863 14.785 ( -12.577 1.006 -1.837) 12.750 15.385 ( 10.672 0.862 -2.050) 10.901 16.454 ( -0.372 -14.301 -0.550) 14.317======================= Grid point 123 (84/670) =======================q-point: ( 0.47 0.32 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.082 ( 2.255 20.597 -0.449) 20.725 5.858 ( 14.286 4.175 -3.467) 15.282 6.436 ( 0.911 3.713 1.083) 3.974 6.991 ( 14.871 21.791 0.536) 26.387 7.359 ( 0.976 8.397 -0.072) 8.454 9.327 ( 1.213 24.321 0.511) 24.356 12.434 ( 10.498 -8.456 0.687) 13.498 13.483 ( -15.154 -16.374 -0.307) 22.312 14.513 ( -16.684 -1.488 -2.764) 16.977 14.841 ( 4.563 7.840 1.613) 9.214 15.526 ( 7.567 -2.636 -2.540) 8.406 16.352 ( 1.645 -8.054 0.346) 8.227======================= Grid point 124 (85/670) =======================q-point: ( 0.53 0.32 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.321 ( 5.312 15.012 -0.342) 15.928 6.129 ( 13.811 4.841 -2.261) 14.809 6.480 ( 0.310 2.373 1.264) 2.707 7.202 ( -2.638 1.453 1.216) 3.247 7.681 ( 19.218 20.378 -0.990) 28.028 9.474 ( -4.183 10.977 -0.695) 11.767 12.567 ( 11.283 -3.275 0.137) 11.749 13.110 ( -9.785 -15.644 1.412) 18.506 14.178 ( -19.806 -1.451 -3.116) 20.102 15.017 ( 5.308 9.375 1.919) 10.943 15.569 ( 3.471 -5.147 -2.818) 6.817 16.352 ( 3.194 -1.836 0.862) 3.784======================= Grid point 125 (86/670) =======================q-point: ( 0.58 0.32 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.534 ( 5.801 8.875 -0.318) 10.607 6.399 ( 11.075 7.695 -0.947) 13.519 6.503 ( 0.488 0.807 1.104) 1.452 7.098 ( -6.195 -5.394 -0.190) 8.216 8.224 ( 21.166 18.748 -0.099) 28.275 9.402 ( -9.016 -1.429 -1.063) 9.191 12.677 ( -0.905 0.698 -2.601) 2.841 12.942 ( 8.825 -11.200 4.666) 15.003 13.808 ( -20.164 -2.482 -2.768) 20.504 15.204 ( 4.803 9.344 2.128) 10.719 15.540 ( 0.537 -5.188 -2.607) 5.831 16.402 ( 2.236 1.047 0.709) 2.569======================= Grid point 126 (87/670) =======================q-point: ( 0.63 0.32 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.669 ( 2.706 3.299 -0.230) 4.273 6.493 ( -0.359 0.494 -0.231) 0.653 6.657 ( 4.322 11.959 1.213) 12.774 6.923 ( -2.268 -11.713 -1.118) 11.983 8.719 ( 13.043 19.937 0.186) 23.825 9.164 ( -8.030 -13.778 -0.696) 15.963 12.605 ( -1.659 -1.973 -0.859) 2.717 13.144 ( 13.124 2.942 2.515) 13.683 13.450 ( -14.855 -6.687 -1.816) 16.392 15.342 ( -0.761 6.231 1.838) 6.540 15.495 ( 2.129 -3.297 -1.933) 4.375 16.436 ( -0.164 1.307 0.329) 1.358======================= Grid point 127 (88/670) =======================q-point: (-0.32 0.32 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.678 ( -3.579 -0.000 0.000) 3.579 6.485 ( -0.976 -0.000 0.000) 0.976 6.634 ( -10.799 -0.000 0.000) 10.799 6.962 ( 10.595 0.000 -0.000) 10.595 8.708 ( -23.188 -0.000 0.000) 23.188 9.202 ( 17.684 0.000 -0.000) 17.684 12.625 ( 5.585 0.000 -0.000) 5.585 13.095 ( -16.430 -0.000 0.000) 16.430 13.487 ( 18.464 0.000 -0.000) 18.464 15.279 ( -7.962 -0.000 0.000) 7.962 15.561 ( 5.321 0.000 -0.000) 5.321 16.421 ( -2.387 -0.000 0.000) 2.387======================= Grid point 140 (89/670) =======================q-point: ( 0.37 0.37 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.936 ( -0.000 26.240 -4.965) 26.706 5.318 ( -0.000 2.048 -1.535) 2.560 6.155 ( -0.000 34.126 1.794) 34.173 6.453 ( -0.000 1.036 -2.242) 2.470 7.296 ( -0.000 10.891 1.276) 10.965 8.885 ( -0.000 41.886 3.358) 42.021 12.247 ( 0.000 -12.936 -0.138) 12.936 14.434 ( 0.000 -10.307 -0.565) 10.323 14.467 ( 0.000 -7.948 0.092) 7.949 15.027 ( -0.000 5.593 0.478) 5.614 15.112 ( -0.000 0.723 -3.218) 3.298 16.457 ( 0.000 -17.414 -0.890) 17.437======================= Grid point 141 (90/670) =======================q-point: ( 0.42 0.37 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.104 ( -2.689 18.718 -4.337) 19.402 5.419 ( 9.502 2.536 -3.557) 10.458 6.434 ( -1.092 10.772 1.290) 10.904 6.570 ( 8.130 21.577 0.939) 23.077 7.390 ( -0.938 8.690 1.305) 8.837 9.287 ( 0.851 35.364 2.035) 35.433 12.163 ( 4.468 -11.775 0.319) 12.598 14.073 ( -18.084 -12.130 -0.710) 21.787 14.582 ( 10.059 -3.684 0.468) 10.723 14.978 ( -8.142 3.524 -1.413) 8.984 15.216 ( 8.396 1.042 -1.791) 8.647 16.300 ( 1.017 -14.925 -0.545) 14.969======================= Grid point 142 (91/670) =======================q-point: ( 0.47 0.37 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.227 ( 0.362 13.834 -2.162) 14.007 5.624 ( 13.758 1.339 -4.349) 14.491 6.490 ( -0.837 5.696 1.794) 6.030 6.977 ( 12.465 21.198 1.764) 24.654 7.438 ( -2.010 5.972 0.255) 6.307 9.582 ( -1.971 24.823 0.775) 24.914 12.177 ( 9.256 -9.198 0.606) 13.063 13.635 ( -18.955 -11.807 -0.464) 22.336 14.665 ( -1.270 -2.677 -0.891) 3.094 14.894 ( -3.293 7.604 0.237) 8.290 15.343 ( 8.279 -3.564 -2.257) 9.291 16.218 ( 3.824 -9.299 0.095) 10.055======================= Grid point 143 (92/670) =======================q-point: ( 0.53 0.37 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.369 ( 3.243 9.653 -1.000) 10.232 5.878 ( 16.702 0.719 -2.779) 16.947 6.528 ( -1.266 4.139 1.403) 4.550 7.301 ( -0.794 8.096 3.439) 8.832 7.533 ( 13.361 9.495 -2.331) 16.556 9.692 ( -6.984 12.806 -0.137) 14.587 12.302 ( 13.605 -5.215 0.541) 14.580 13.224 ( -16.871 -9.479 0.083) 19.352 14.467 ( -15.841 -1.236 -1.831) 15.995 15.026 ( 5.145 9.423 1.955) 10.913 15.406 ( 6.746 -7.329 -2.722) 10.326 16.247 ( 6.183 -3.294 0.519) 7.025======================= Grid point 144 (93/670) =======================q-point: ( 0.58 0.37 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.508 ( 5.024 4.706 -0.385) 6.894 6.177 ( 17.947 1.484 -0.877) 18.030 6.533 ( -1.779 1.655 0.610) 2.505 7.222 ( -9.629 0.200 0.625) 9.652 7.963 ( 23.390 7.906 -0.347) 24.693 9.603 ( -12.120 3.130 -0.408) 12.524 12.531 ( 16.516 -0.567 -0.133) 16.526 12.897 ( -12.671 -6.341 0.796) 14.191 14.142 ( -20.494 -0.590 -1.151) 20.535 15.214 ( 5.209 8.868 2.107) 10.499 15.421 ( 4.895 -7.499 -2.453) 9.285 16.338 ( 5.753 -0.313 0.372) 5.773======================= Grid point 145 (94/670) =======================q-point: (-0.37 -0.63 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.618 ( 5.033 0.000 -0.000) 5.033 6.487 ( 17.089 0.000 -0.000) 17.089 6.512 ( -1.465 -0.000 0.000) 1.465 7.034 ( -11.820 -0.000 0.000) 11.820 8.423 ( 25.627 0.000 -0.000) 25.627 9.368 ( -16.276 -0.000 0.000) 16.276 12.681 ( -8.302 -0.000 0.000) 8.302 12.841 ( 19.130 0.000 -0.000) 19.130 13.774 ( -22.034 -0.000 0.000) 22.034 15.370 ( 5.673 0.000 -0.000) 5.673 15.414 ( 0.650 0.000 -0.000) 0.650 16.416 ( 3.154 0.000 -0.000) 3.154======================= Grid point 161 (95/670) =======================q-point: ( 0.42 0.42 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.269 ( -0.000 12.521 -6.726) 14.213 5.332 ( -0.000 0.940 -1.795) 2.027 6.520 ( 0.000 5.255 1.526) 5.472 6.735 ( -0.000 23.239 1.793) 23.308 7.484 ( -0.000 7.444 1.540) 7.602 9.613 ( -0.000 30.071 1.477) 30.107 12.015 ( 0.000 -10.731 0.476) 10.742 14.244 ( 0.000 -8.183 -0.493) 8.198 14.324 ( 0.000 -6.242 -0.116) 6.243 15.108 ( -0.000 0.948 -2.907) 3.058 15.128 ( -0.000 4.086 0.511) 4.118 16.146 ( 0.000 -13.313 -0.519) 13.323======================= Grid point 162 (96/670) =======================q-point: ( 0.47 0.42 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.319 ( -0.032 6.991 -2.115) 7.303 5.427 ( 8.280 0.968 -4.141) 9.309 6.569 ( -0.913 5.225 1.560) 5.529 6.995 ( 7.209 15.857 1.389) 17.474 7.534 ( -2.190 4.994 0.978) 5.540 9.850 ( -2.334 20.505 0.752) 20.651 11.968 ( 5.358 -7.986 0.500) 9.630 13.877 ( -20.497 -7.106 -0.389) 21.697 14.516 ( 13.878 -2.752 -0.102) 14.149 15.042 ( -5.757 3.388 -0.776) 6.725 15.208 ( 3.874 -0.759 -1.125) 4.104 16.062 ( 3.533 -8.626 -0.180) 9.323======================= Grid point 163 (97/670) =======================q-point: ( 0.53 0.42 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.391 ( 1.893 4.495 -0.643) 4.919 5.603 ( 14.091 -0.496 -2.220) 14.273 6.594 ( -1.503 2.989 0.851) 3.452 7.292 ( 12.901 8.891 1.798) 15.771 7.507 ( -4.548 1.181 -0.733) 4.756 9.921 ( -6.558 9.055 0.150) 11.182 12.048 ( 10.767 -3.805 0.322) 11.424 13.472 ( -20.134 -4.312 -0.136) 20.591 14.621 ( -2.022 -1.013 -0.584) 2.336 15.043 ( 2.599 6.478 1.233) 7.088 15.231 ( 3.479 -5.539 -1.912) 6.814 16.100 ( 7.135 -2.998 0.146) 7.740======================= Grid point 164 (98/670) =======================q-point: (-0.42 -0.58 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.457 ( 3.523 0.000 -0.000) 3.523 5.872 ( 17.911 0.000 -0.000) 17.911 6.579 ( -2.087 -0.000 0.000) 2.087 7.386 ( -8.573 -0.000 0.000) 8.573 7.629 ( 19.849 0.000 -0.000) 19.849 9.817 ( -10.380 -0.000 0.000) 10.380 12.251 ( 15.010 0.000 -0.000) 15.010 13.130 ( -17.541 -0.000 0.000) 17.541 14.448 ( -15.542 -0.000 0.000) 15.542 15.219 ( 2.718 0.000 -0.000) 2.718 15.229 ( 9.325 0.000 -0.000) 9.325 16.219 ( 7.800 0.000 -0.000) 7.800======================= Grid point 182 (99/670) =======================q-point: ( 0.47 0.47 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.335 ( -0.000 0.297 -0.687) 0.748 5.375 ( -0.000 3.085 -2.874) 4.216 6.622 ( 0.000 3.009 0.850) 3.127 7.055 ( -0.000 8.259 0.665) 8.285 7.598 ( 0.000 2.953 0.769) 3.051 10.034 ( -0.000 11.396 0.411) 11.404 11.859 ( 0.000 -4.685 0.298) 4.695 14.128 ( 0.000 -3.053 -0.258) 3.064 14.237 ( 0.000 -2.381 -0.071) 2.382 15.107 ( -0.000 0.377 -1.098) 1.161 15.186 ( -0.000 1.473 0.208) 1.488 15.958 ( 0.000 -5.103 -0.191) 5.106======================= Grid point 183 (100/670) =======================q-point: (-0.47 -0.53 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.391 ( 0.737 0.000 -0.000) 0.737 5.404 ( 8.014 0.000 -0.000) 8.014 6.631 ( -0.832 -0.000 0.000) 0.832 7.159 ( 7.323 0.000 -0.000) 7.323 7.587 ( -3.123 -0.000 0.000) 3.123 10.059 ( -3.730 -0.000 0.000) 3.730 11.886 ( 5.854 0.000 -0.000) 5.854 13.805 ( -21.323 -0.000 0.000) 21.323 14.487 ( 15.077 0.000 -0.000) 15.077 15.079 ( -2.524 -0.000 0.000) 2.524 15.189 ( -0.325 -0.000 0.000) 0.325 15.976 ( 4.915 0.000 -0.000) 4.915======================= Grid point 387 (101/670) =======================q-point: ( 0.05 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 670Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.316 ( 0.000 -0.000 30.349) 30.349 0.316 ( 0.000 -0.000 30.349) 30.349 0.534 ( 0.000 -0.000 51.239) 51.239 5.235 ( -0.000 0.000 -2.031) 2.031 5.235 ( -0.000 0.000 -2.031) 2.031 9.099 ( -0.000 0.000 -4.276) 4.276 14.202 ( 0.000 -0.000 0.189) 0.189 14.202 ( 0.000 -0.000 0.189) 0.189 14.911 ( 0.000 -0.000 1.860) 1.860 15.483 ( -0.000 0.000 -0.047) 0.047 15.483 ( -0.000 0.000 -0.047) 0.047 16.172 ( -0.000 0.000 -0.670) 0.670======================= Grid point 388 (102/670) =======================q-point: ( 0.11 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.680 ( 12.052 6.958 30.335) 33.375 0.711 ( 27.628 15.951 7.932) 32.874 1.584 ( 56.594 32.674 20.187) 68.396 5.261 ( 2.362 1.364 -1.618) 3.172 5.467 ( 11.003 6.352 -8.213) 15.128 7.874 ( -22.876 -13.207 26.411) 37.353 14.060 ( -11.315 -6.533 1.738) 13.180 14.218 ( 1.572 0.907 0.002) 1.815 14.665 ( -0.958 -0.553 -4.102) 4.249 15.011 ( 2.067 1.194 11.955) 12.191 15.463 ( -2.080 -1.201 0.407) 2.436 17.745 ( 15.747 9.091 -28.738) 34.007======================= Grid point 389 (103/670) =======================q-point: ( 0.16 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.149 ( 22.037 12.723 17.997) 31.168 1.423 ( 33.628 19.415 1.696) 38.867 2.934 ( 57.918 33.439 12.329) 68.005 5.328 ( 4.006 2.313 -1.080) 4.750 5.721 ( 13.925 8.040 -4.759) 16.769 7.609 ( -9.719 -5.611 7.123) 13.293 13.789 ( -12.642 -7.299 1.943) 14.726 14.271 ( 3.146 1.817 -0.129) 3.635 14.638 ( 0.001 0.000 -11.282) 11.282 15.125 ( 3.413 1.971 11.943) 12.576 15.394 ( -4.187 -2.417 0.708) 4.886 17.797 ( -1.304 -0.753 -11.006) 11.108======================= Grid point 390 (104/670) =======================q-point: ( 0.21 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.782 ( 29.664 17.127 9.398) 35.519 2.223 ( 37.119 21.431 0.039) 42.862 4.254 ( 56.276 32.491 6.339) 65.290 5.430 ( 5.282 3.050 -0.426) 6.114 6.054 ( 16.551 9.556 -2.966) 19.340 7.439 ( -7.127 -4.115 3.783) 9.057 13.518 ( -12.008 -6.933 2.331) 14.061 14.357 ( 4.434 2.560 -0.144) 5.122 14.593 ( -0.060 -0.035 -12.907) 12.908 15.212 ( 0.424 0.245 10.643) 10.655 15.283 ( -5.858 -3.382 0.765) 6.807 17.657 ( -8.104 -4.679 -7.001) 11.686======================= Grid point 391 (105/670) =======================q-point: ( 0.26 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.526 ( 34.075 19.673 3.700) 39.520 3.077 ( 38.546 22.255 -0.629) 44.514 5.482 ( 51.139 29.525 -1.450) 59.068 5.562 ( 6.455 3.727 0.342) 7.461 6.430 ( 17.282 9.977 -0.068) 19.955 7.331 ( -3.205 -1.850 6.254) 7.267 13.267 ( -11.188 -6.459 2.930) 13.247 14.466 ( 5.177 2.989 0.044) 5.978 14.550 ( 0.263 0.152 -12.969) 12.973 15.140 ( -6.911 -3.990 0.514) 7.996 15.208 ( -3.795 -2.191 8.202) 9.299 17.393 ( -13.161 -7.598 -5.845) 16.282======================= Grid point 392 (106/670) =======================q-point: ( 0.32 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.318 ( 35.483 20.486 -0.267) 40.973 3.924 ( 36.260 20.935 -1.268) 41.889 5.729 ( 8.485 4.899 1.282) 9.881 6.403 ( 27.234 15.723 -13.129) 34.077 6.870 ( 22.437 12.954 5.765) 26.542 7.419 ( 11.936 6.891 12.047) 18.306 13.033 ( -10.641 -6.143 3.581) 12.798 14.511 ( -0.116 -0.067 -11.354) 11.355 14.582 ( 4.747 2.741 0.626) 5.517 14.983 ( -6.851 -3.955 -0.186) 7.913 15.101 ( -7.398 -4.271 4.099) 9.474 17.040 ( -16.226 -9.368 -4.971) 19.384======================= Grid point 393 (107/670) =======================q-point: ( 0.37 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.101 ( 34.274 19.788 -3.155) 39.701 4.652 ( 27.925 16.122 -2.069) 32.311 5.972 ( 13.142 7.588 2.294) 15.348 6.667 ( 5.091 2.939 -6.799) 8.988 7.298 ( 13.480 7.783 3.581) 15.972 8.055 ( 35.914 20.735 8.661) 42.365 12.811 ( -10.374 -5.990 4.022) 12.636 14.455 ( -2.486 -1.435 -7.187) 7.739 14.650 ( -0.573 -0.331 1.878) 1.991 14.864 ( -1.969 -1.137 -1.556) 2.755 14.922 ( -8.120 -4.688 -2.032) 9.594 16.650 ( -16.608 -9.589 -3.465) 19.488======================= Grid point 394 (108/670) =======================q-point: ( 0.42 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.818 ( 30.365 17.531 -5.195) 35.445 5.130 ( 15.373 8.876 -2.282) 17.898 6.341 ( 18.203 10.510 2.535) 21.171 6.708 ( 0.620 0.358 -0.866) 1.124 7.564 ( 9.326 5.384 3.280) 11.257 8.873 ( 33.116 19.120 3.509) 38.400 12.594 ( -10.061 -5.808 3.781) 12.217 14.327 ( -7.617 -4.397 -1.882) 8.994 14.560 ( -6.171 -3.563 1.108) 7.211 14.767 ( -3.417 -1.973 -7.502) 8.476 14.895 ( 3.400 1.963 -0.854) 4.018 16.289 ( -14.369 -8.296 -1.541) 16.663======================= Grid point 395 (109/670) =======================q-point: ( 0.47 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.363 ( 6.864 3.963 -1.724) 8.111 5.406 ( 23.094 13.333 -6.191) 27.376 6.702 ( -1.269 -0.733 1.965) 2.451 6.744 ( 15.361 8.868 1.818) 17.830 7.736 ( 5.025 2.901 2.104) 6.172 9.521 ( 23.038 13.301 1.336) 26.636 12.391 ( -8.727 -5.039 2.276) 10.331 14.132 ( -8.178 -4.722 -0.441) 9.454 14.430 ( -5.066 -2.925 0.187) 5.853 14.719 ( 0.789 0.455 -6.069) 6.136 14.967 ( 2.751 1.588 0.069) 3.177 16.009 ( -10.008 -5.778 -0.002) 11.557======================= Grid point 396 (110/670) =======================q-point: ( 0.53 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.456 ( 2.250 1.299 -1.088) 2.816 5.782 ( 11.235 6.487 -5.034) 13.916 6.664 ( -2.557 -1.476 1.990) 3.560 6.991 ( 5.515 3.184 0.908) 6.432 7.804 ( 0.813 0.469 0.028) 0.939 9.887 ( 8.469 4.890 0.848) 9.816 12.238 ( -4.508 -2.603 -0.528) 5.232 14.001 ( -2.924 -1.688 0.289) 3.389 14.348 ( -1.997 -1.153 -0.458) 2.351 14.742 ( 2.124 1.226 -1.214) 2.736 15.012 ( 1.061 0.612 0.769) 1.446 15.853 ( -3.704 -2.139 0.780) 4.348======================= Grid point 397 (111/670) =======================q-point: (-0.42 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.465 ( -1.251 -0.722 -0.317) 1.479 5.835 ( -6.290 -3.632 -0.249) 7.267 6.625 ( -0.368 -0.212 -1.456) 1.517 6.980 ( -6.638 -3.833 -0.106) 7.666 7.778 ( -2.707 -1.563 -2.413) 3.949 9.886 ( -8.868 -5.120 0.811) 10.271 12.205 ( 2.319 1.339 -3.537) 4.437 14.013 ( 3.696 2.134 1.423) 4.499 14.342 ( 1.710 0.988 -0.962) 2.197 14.796 ( 2.135 1.233 3.743) 4.482 15.018 ( -0.829 -0.479 1.331) 1.640 15.857 ( 3.856 2.226 1.196) 4.610======================= Grid point 398 (112/670) =======================q-point: (-0.37 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.393 ( -5.564 -3.212 1.048) 6.509 5.513 ( -21.881 -12.633 3.710) 25.537 6.641 ( 2.315 1.336 -3.672) 4.542 6.708 ( -16.661 -9.619 -1.507) 19.298 7.667 ( -6.139 -3.544 -4.257) 8.268 9.507 ( -24.466 -14.126 -0.004) 28.251 12.307 ( 7.603 4.390 -5.387) 10.300 14.162 ( 8.472 4.891 2.116) 10.009 14.412 ( 4.689 2.707 -1.381) 5.587 14.859 ( 1.788 1.032 7.024) 7.321 14.985 ( -2.478 -1.431 1.745) 3.351 16.030 ( 10.786 6.227 1.982) 12.611======================= Grid point 399 (113/670) =======================q-point: (-0.32 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.923 ( -31.002 -17.899 4.647) 36.098 5.192 ( -14.118 -8.151 3.493) 16.672 6.275 ( -19.266 -11.123 -3.648) 22.543 6.696 ( 3.394 1.960 -2.043) 4.420 7.472 ( -9.674 -5.586 -5.174) 12.311 8.814 ( -36.276 -20.944 -2.019) 41.937 12.490 ( 10.093 5.827 -5.790) 13.013 14.381 ( 9.676 5.586 2.728) 11.501 14.528 ( 5.626 3.248 -1.709) 6.717 14.922 ( 1.556 0.898 7.221) 7.441 14.926 ( -3.028 -1.748 1.963) 4.010 16.340 ( 15.571 8.990 3.172) 18.258======================= Grid point 400 (114/670) =======================q-point: (-0.26 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.182 ( -35.823 -20.683 4.386) 41.597 4.734 ( -28.248 -16.309 5.730) 33.117 5.894 ( -12.430 -7.177 -5.166) 15.255 6.775 ( 3.000 1.732 2.946) 4.547 7.199 ( -13.061 -7.541 -5.639) 16.102 7.895 ( -43.097 -24.882 -5.979) 50.122 12.710 ( 11.064 6.388 -5.272) 13.821 14.592 ( 7.523 4.344 5.174) 10.111 14.617 ( 1.550 0.895 -1.263) 2.191 14.894 ( 0.774 0.447 1.312) 1.587 14.977 ( 1.640 0.947 3.459) 3.943 16.730 ( 17.525 10.118 3.916) 20.612======================= Grid point 401 (115/670) =======================q-point: (-0.21 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.365 ( -37.742 -21.790 3.935) 43.758 4.005 ( -37.111 -21.426 6.420) 43.331 5.667 ( -7.092 -4.095 -4.693) 9.439 6.633 ( -43.851 -25.317 3.728) 50.771 6.774 ( -10.850 -6.264 2.255) 12.729 7.151 ( -5.718 -3.301 -13.520) 15.046 12.948 ( 11.530 6.657 -4.397) 14.021 14.577 ( -4.011 -2.316 0.173) 4.635 14.745 ( 3.595 2.075 10.072) 10.894 14.981 ( 5.907 3.410 -0.364) 6.830 15.019 ( 2.010 1.160 -3.300) 4.035 17.131 ( 16.521 9.538 3.562) 19.407======================= Grid point 402 (116/670) =======================q-point: (-0.16 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.531 ( -37.177 -21.464 3.931) 43.108 3.161 ( -39.235 -22.652 7.251) 45.881 5.445 ( -56.506 -32.624 -4.183) 65.382 5.518 ( -5.174 -2.987 -3.875) 7.122 6.461 ( -16.295 -9.408 2.000) 18.922 7.213 ( 7.658 4.421 -4.473) 9.910 13.199 ( 12.037 6.950 -3.457) 14.323 14.472 ( -5.039 -2.909 0.639) 5.854 14.828 ( 0.474 0.274 13.417) 13.428 15.038 ( 1.227 0.708 -8.129) 8.251 15.124 ( 6.631 3.828 -1.021) 7.724 17.479 ( 13.261 7.656 2.205) 15.471======================= Grid point 403 (117/670) =======================q-point: (-0.11 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.742 ( -34.000 -19.630 5.287) 39.614 2.318 ( -37.889 -21.875 8.822) 44.631 4.118 ( -59.577 -34.397 -5.829) 69.040 5.401 ( -4.129 -2.384 -3.233) 5.760 6.099 ( -15.886 -9.172 1.060) 18.374 7.382 ( 7.729 4.462 -1.294) 9.018 13.466 ( 12.685 7.323 -2.575) 14.872 14.366 ( -4.510 -2.604 0.678) 5.251 14.871 ( -0.399 -0.231 12.428) 12.437 15.007 ( -1.724 -0.995 -7.936) 8.182 15.263 ( 5.901 3.407 -1.131) 6.908 17.735 ( 9.017 5.206 0.190) 10.414======================= Grid point 404 (118/670) =======================q-point: (-0.05 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.064 ( -28.137 -16.245 10.185) 34.049 1.531 ( -35.129 -20.282 11.418) 42.140 2.741 ( -60.927 -35.176 -5.076) 70.535 5.311 ( -2.940 -1.697 -2.749) 4.368 5.773 ( -12.957 -7.481 0.076) 14.962 7.539 ( 6.127 3.537 1.406) 7.213 13.749 ( 13.054 7.537 -1.807) 15.181 14.279 ( -3.327 -1.921 0.565) 3.883 14.894 ( -1.741 -1.005 -7.161) 7.438 14.910 ( -3.940 -2.275 11.668) 12.523 15.377 ( 4.462 2.576 -0.936) 5.237 17.886 ( 4.907 2.833 -3.209) 6.512======================= Grid point 407 (119/670) =======================q-point: ( 0.11 0.11 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.847 ( 0.000 20.099 26.193) 33.016 1.027 ( 0.000 33.062 21.823) 39.615 1.473 ( 0.000 57.378 19.014) 60.446 5.218 ( -0.000 1.085 -4.252) 4.389 5.462 ( -0.000 14.361 -6.894) 15.930 7.962 ( 0.000 -32.754 25.471) 41.492 14.027 ( 0.000 -14.677 0.181) 14.678 14.227 ( 0.000 2.209 0.533) 2.273 14.716 ( -0.000 0.134 -2.060) 2.064 15.065 ( 0.000 1.660 14.846) 14.938 15.448 ( 0.000 -3.137 -0.521) 3.180 17.622 ( -0.000 24.277 -31.735) 39.956======================= Grid point 408 (120/670) =======================q-point: ( 0.16 0.11 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.140 ( 2.610 18.699 28.334) 34.049 1.428 ( 7.360 40.864 8.315) 42.346 2.536 ( 41.076 50.753 12.836) 66.542 5.264 ( 4.714 1.554 -3.873) 6.296 5.637 ( 6.279 14.294 -5.019) 16.399 7.703 ( -7.616 -14.106 10.133) 18.965 13.834 ( -5.035 -14.436 0.563) 15.299 14.269 ( 1.163 3.164 -0.612) 3.426 14.673 ( -4.323 4.312 -6.867) 9.188 15.124 ( 0.536 0.621 12.444) 12.471 15.419 ( -0.450 -3.154 1.066) 3.359 17.732 ( 3.397 3.502 -16.346) 17.058======================= Grid point 409 (121/670) =======================q-point: ( 0.21 0.11 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.567 ( 16.456 19.167 19.260) 31.767 2.080 ( 19.410 40.439 3.290) 44.977 3.786 ( 46.262 45.468 7.317) 65.277 5.367 ( 5.976 3.261 -2.557) 7.272 5.911 ( 11.476 13.758 -3.751) 18.305 7.506 ( -6.011 -8.315 4.138) 11.064 13.603 ( -7.315 -11.838 1.309) 13.977 14.315 ( 2.066 1.864 -2.900) 4.019 14.624 ( -4.325 6.240 -7.634) 10.767 15.169 ( 2.753 -5.239 7.440) 9.507 15.370 ( -3.910 -1.410 4.554) 6.165 17.684 ( -3.340 -3.642 -9.478) 10.689======================= Grid point 410 (122/670) =======================q-point: ( 0.26 0.11 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.180 ( 27.242 18.918 10.840) 34.893 2.862 ( 25.378 39.771 1.194) 47.193 4.995 ( 45.070 39.279 -0.049) 59.784 5.511 ( 6.576 6.543 -0.945) 9.325 6.254 ( 15.144 12.160 -1.548) 19.484 7.372 ( -3.291 -5.191 4.627) 7.694 13.373 ( -8.479 -9.030 2.044) 12.555 14.354 ( 4.268 -1.651 -6.625) 8.052 14.602 ( -3.767 7.626 -4.689) 9.712 15.153 ( 0.006 -6.569 1.244) 6.686 15.291 ( -5.441 -2.782 8.163) 10.197 17.493 ( -9.512 -7.044 -6.911) 13.707======================= Grid point 411 (123/670) =======================q-point: ( 0.32 0.11 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.902 ( 33.151 18.153 4.783) 38.097 3.691 ( 26.996 37.837 -0.041) 46.481 5.652 ( 8.771 6.651 -1.343) 11.089 6.056 ( 32.628 30.057 -9.533) 45.376 6.656 ( 19.399 12.132 3.882) 23.207 7.366 ( 4.497 1.115 9.233) 10.330 13.155 ( -9.272 -6.780 2.736) 11.808 14.379 ( 5.342 -4.031 -10.117) 12.130 14.613 ( -1.711 5.861 -0.311) 6.113 15.031 ( -6.597 -8.219 0.727) 10.564 15.207 ( -4.464 -1.336 4.796) 6.687 17.191 ( -14.109 -8.879 -5.527) 17.563======================= Grid point 412 (124/670) =======================q-point: ( 0.37 0.11 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.661 ( 35.057 16.623 0.506) 38.802 4.469 ( 23.202 33.040 -1.241) 40.392 5.877 ( 9.797 9.913 0.528) 13.948 6.549 ( 10.964 8.178 -10.759) 17.403 7.131 ( 17.161 9.232 2.913) 19.703 7.753 ( 27.052 19.262 11.315) 35.084 12.945 ( -10.003 -5.194 3.213) 11.721 14.384 ( 4.045 -4.338 -9.766) 11.426 14.651 ( 1.011 2.035 1.827) 2.916 14.790 ( -8.077 -15.250 1.180) 17.297 15.143 ( -7.253 6.646 -0.591) 9.855 16.826 ( -16.218 -9.178 -3.939) 19.047======================= Grid point 413 (125/670) =======================q-point: ( 0.42 0.11 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.390 ( 33.492 13.874 -2.438) 36.334 5.060 ( 13.556 24.480 -2.479) 28.092 6.204 ( 14.266 15.063 1.847) 20.829 6.670 ( 3.586 1.075 -3.923) 5.422 7.439 ( 12.146 4.347 2.619) 13.164 8.532 ( 32.594 22.564 5.280) 39.993 12.737 ( -10.669 -4.011 3.161) 11.828 14.333 ( -3.062 -8.781 -2.528) 9.638 14.517 ( -1.904 -15.249 -4.176) 15.925 14.699 ( 2.482 -0.059 1.104) 2.718 15.086 ( -9.380 11.771 -2.728) 15.296 16.461 ( -15.538 -7.763 -1.916) 17.475======================= Grid point 414 (126/670) =======================q-point: ( 0.47 0.11 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.012 ( 27.238 8.789 -3.852) 28.879 5.405 ( 5.974 17.884 -3.352) 19.151 6.616 ( 12.988 13.612 2.540) 18.985 6.709 ( 2.385 2.145 -0.379) 3.230 7.652 ( 8.496 1.816 1.858) 8.884 9.245 ( 26.803 16.416 2.077) 31.500 12.531 ( -10.925 -2.690 2.129) 11.451 14.078 ( -5.541 -20.013 0.610) 20.775 14.442 ( 2.893 -4.898 -4.648) 7.346 14.742 ( 0.256 3.911 -0.521) 3.954 15.041 ( -7.183 9.467 -2.100) 12.068 16.155 ( -12.731 -4.530 -0.093) 13.514======================= Grid point 415 (127/670) =======================q-point: ( 0.53 0.11 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.385 ( 10.376 3.313 -2.349) 11.143 5.665 ( 9.229 13.779 -5.286) 17.407 6.679 ( -0.842 -2.832 2.185) 3.675 6.970 ( 6.623 12.522 1.151) 14.212 7.769 ( 3.878 -0.109 0.260) 3.888 9.738 ( 16.248 7.566 1.120) 17.958 12.343 ( -9.351 -0.401 -0.148) 9.361 13.842 ( 1.629 -20.181 0.200) 20.247 14.440 ( 0.579 0.185 -1.296) 1.432 14.782 ( -2.558 8.954 -0.937) 9.360 15.018 ( -1.903 2.542 -0.054) 3.176 15.954 ( -8.476 0.021 0.926) 8.527======================= Grid point 416 (128/670) =======================q-point: (-0.42 0.11 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.478 ( 0.190 1.721 -1.145) 2.076 5.861 ( 2.405 4.751 -3.917) 6.611 6.625 ( -1.913 -3.271 0.897) 3.894 7.084 ( -4.112 5.453 0.471) 6.846 7.783 ( -0.747 -1.724 -1.797) 2.599 9.920 ( 1.156 -2.234 1.180) 2.778 12.232 ( -4.148 3.291 -3.028) 6.099 13.761 ( 10.195 -16.865 0.643) 19.718 14.456 ( -1.296 4.855 0.552) 5.055 14.820 ( -2.476 7.297 0.768) 7.744 15.028 ( 0.846 0.898 1.808) 2.189 15.884 ( -2.556 4.361 1.284) 5.215======================= Grid point 417 (129/670) =======================q-point: (-0.37 0.11 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.428 ( -5.308 -4.483 0.224) 6.952 5.771 ( -13.264 -1.534 0.633) 13.367 6.589 ( 1.233 -1.745 -2.831) 3.547 6.942 ( -15.536 0.122 -0.545) 15.546 7.702 ( -4.315 -3.986 -3.619) 6.900 9.734 ( -15.892 -10.591 0.907) 19.119 12.255 ( 2.484 6.626 -5.129) 8.740 13.856 ( 17.105 -12.164 0.955) 21.011 14.495 ( -1.239 6.786 1.386) 7.036 14.836 ( -0.200 -0.972 2.904) 3.069 15.074 ( -1.228 7.088 3.043) 7.810 15.966 ( 4.978 7.317 1.700) 9.011======================= Grid point 418 (130/670) =======================q-point: (-0.32 0.11 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.129 ( -18.536 -19.828 3.162) 27.326 5.501 ( -18.358 3.975 2.249) 18.918 6.521 ( -15.563 -5.800 -3.243) 16.923 6.672 ( -4.268 2.115 -2.540) 5.398 7.540 ( -7.287 -6.220 -4.682) 10.663 9.204 ( -30.979 -16.088 -0.335) 34.909 12.391 ( 6.930 8.039 -5.789) 12.089 14.087 ( 20.364 -7.167 0.633) 21.597 14.552 ( 0.143 5.561 1.529) 5.769 14.814 ( 0.906 -7.268 4.318) 8.502 15.133 ( -4.425 11.765 3.272) 12.989 16.201 ( 12.146 9.104 2.605) 15.401======================= Grid point 419 (131/670) =======================q-point: (-0.26 0.11 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.501 ( -29.179 -25.352 4.263) 38.889 5.177 ( -27.378 0.837 4.665) 27.785 6.096 ( -20.476 -4.372 -4.850) 21.492 6.726 ( 4.783 2.226 -0.929) 5.357 7.305 ( -10.457 -7.664 -5.131) 13.943 8.399 ( -42.794 -19.279 -2.439) 46.999 12.589 ( 9.193 8.092 -5.384) 13.378 14.383 ( 19.363 -2.409 0.345) 19.515 14.610 ( 1.001 2.762 0.437) 2.970 14.765 ( 1.661 -9.551 5.609) 11.200 15.166 ( -6.347 11.515 2.271) 13.343 16.552 ( 16.514 9.847 3.359) 19.518======================= Grid point 420 (132/670) =======================q-point: (-0.21 0.11 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.726 ( -33.640 -26.496 4.373) 43.044 4.587 ( -41.159 -5.032 5.990) 41.896 5.783 ( -11.990 -0.768 -5.329) 13.143 6.832 ( 2.644 1.046 4.736) 5.524 7.002 ( -15.267 -7.993 -4.851) 17.903 7.412 ( -46.048 -19.272 -7.323) 50.452 12.814 ( 10.386 7.506 -4.493) 13.579 14.606 ( -2.180 -2.149 -0.478) 3.098 14.668 ( 12.676 1.073 3.662) 13.238 14.772 ( 8.455 -6.475 2.961) 11.054 15.156 ( -6.725 8.180 0.447) 10.599 16.947 ( 17.407 9.113 3.147) 19.899======================= Grid point 421 (133/670) =======================q-point: (-0.16 0.11 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.906 ( -34.972 -25.437 4.740) 43.504 3.795 ( -46.761 -7.006 6.144) 47.681 5.602 ( -8.210 0.448 -4.399) 9.325 6.157 ( -58.404 -19.848 -3.329) 61.775 6.662 ( -16.529 -7.892 3.356) 18.621 7.092 ( 8.273 2.374 -6.030) 10.509 13.052 ( 11.347 6.590 -3.434) 13.564 14.522 ( -3.754 -3.231 0.030) 4.953 14.804 ( 5.082 -3.152 9.534) 11.254 14.954 ( 11.067 2.135 -4.258) 12.049 15.111 ( -4.418 3.424 -0.615) 5.623 17.316 ( 15.466 7.031 1.858) 17.091======================= Grid point 422 (134/670) =======================q-point: (-0.11 0.11 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.108 ( -33.863 -22.015 6.227) 40.867 2.954 ( -46.981 -6.736 6.366) 47.886 4.909 ( -64.958 -17.988 -3.665) 67.502 5.470 ( -6.607 0.558 -3.483) 7.490 6.308 ( -17.280 -6.716 0.489) 18.545 7.266 ( 9.521 2.913 -1.183) 10.027 13.302 ( 12.526 5.375 -2.312) 13.825 14.429 ( -4.360 -1.631 -0.127) 4.657 14.886 ( 4.145 -2.998 10.268) 11.472 14.990 ( -3.611 0.136 -7.360) 8.199 15.185 ( 7.357 2.846 0.667) 7.916 17.606 ( 11.839 4.332 -0.215) 12.609======================= Grid point 423 (135/670) =======================q-point: (-0.05 0.11 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.404 ( -30.255 -15.790 10.251) 35.633 2.139 ( -44.444 -6.437 6.082) 45.318 3.625 ( -68.616 -11.031 -1.101) 69.505 5.365 ( -5.224 0.804 -2.735) 5.952 5.967 ( -16.446 -4.217 -0.544) 16.986 7.443 ( 8.564 1.922 1.013) 8.835 13.563 ( 13.859 3.733 -1.144) 14.399 14.346 ( -4.451 -0.032 -0.324) 4.463 14.882 ( -2.441 -4.821 -8.725) 10.263 14.955 ( 0.678 0.302 11.572) 11.595 15.321 ( 5.205 2.429 0.379) 5.757 17.795 ( 7.601 1.917 -3.185) 8.461======================= Grid point 427 (136/670) =======================q-point: ( 0.16 0.16 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.442 ( 0.000 24.404 22.667) 33.307 1.847 ( 0.000 37.040 17.761) 41.078 2.761 ( -0.000 64.193 7.258) 64.602 5.218 ( -0.000 2.478 -6.060) 6.547 5.730 ( -0.000 17.077 -3.957) 17.530 7.644 ( 0.000 -15.368 7.001) 16.887 13.719 ( 0.000 -16.065 -0.962) 16.094 14.293 ( -0.000 4.061 0.785) 4.136 14.718 ( -0.000 2.347 -7.255) 7.625 15.220 ( 0.000 2.222 15.203) 15.365 15.358 ( 0.000 -5.475 -0.791) 5.532 17.682 ( -0.000 2.833 -14.992) 15.257======================= Grid point 428 (137/670) =======================q-point: ( 0.21 0.16 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.758 ( -0.020 26.766 21.626) 34.411 2.306 ( 5.822 42.483 9.974) 44.025 3.670 ( 28.161 58.263 4.887) 64.896 5.276 ( 5.869 3.131 -5.679) 8.746 5.923 ( 4.175 17.457 -3.556) 18.298 7.499 ( -2.954 -11.495 3.710) 12.435 13.544 ( -1.867 -15.104 -0.584) 15.230 14.324 ( -1.390 3.435 -1.849) 4.141 14.723 ( -0.169 5.339 -6.211) 8.192 15.157 ( -5.972 -4.417 6.094) 9.608 15.383 ( 2.348 -3.208 6.950) 8.006 17.645 ( -0.346 -2.795 -10.641) 11.007======================= Grid point 429 (138/670) =======================q-point: ( 0.26 0.16 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.155 ( 8.426 27.582 17.201) 33.580 2.943 ( 15.616 44.566 4.327) 47.420 4.750 ( 34.174 49.223 -0.787) 59.928 5.433 ( 9.533 6.408 -3.214) 11.928 6.179 ( 8.387 15.526 -2.808) 17.868 7.370 ( -2.148 -7.753 4.010) 8.988 13.368 ( -2.841 -12.704 0.442) 13.026 14.300 ( -1.697 1.063 -6.764) 7.055 14.756 ( -4.074 9.133 -1.682) 10.141 15.062 ( 1.124 -7.645 1.136) 7.811 15.360 ( -3.341 -5.163 8.402) 10.412 17.522 ( -4.985 -6.954 -7.646) 11.475======================= Grid point 430 (139/670) =======================q-point: ( 0.32 0.16 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.696 ( 18.495 26.051 11.126) 33.831 3.697 ( 20.538 43.865 1.690) 48.465 5.520 ( 15.198 12.468 -6.792) 20.798 5.873 ( 24.829 34.939 -4.938) 43.146 6.496 ( 14.184 12.991 1.126) 19.268 7.335 ( 2.566 -1.661 7.880) 8.452 13.204 ( -4.274 -9.650 1.572) 10.671 14.258 ( 0.493 -1.300 -9.777) 9.875 14.733 ( -5.798 4.543 1.785) 7.579 15.025 ( -0.909 -7.015 -0.199) 7.076 15.263 ( -3.290 -3.566 5.588) 7.400 17.291 ( -10.118 -9.207 -5.833) 14.872======================= Grid point 431 (140/670) =======================q-point: ( 0.37 0.16 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.341 ( 25.348 23.231 5.782) 34.865 4.463 ( 20.107 40.066 0.010) 44.828 5.803 ( 11.257 10.503 -2.825) 15.654 6.421 ( 11.650 14.980 -12.650) 22.806 6.939 ( 18.256 12.066 2.615) 22.039 7.585 ( 18.491 16.097 11.844) 27.227 13.043 ( -6.300 -6.664 2.421) 9.485 14.229 ( 3.221 -3.780 -10.488) 11.605 14.691 ( -2.631 0.993 2.353) 3.667 14.813 ( -10.513 -15.095 2.918) 18.625 15.269 ( -0.638 6.294 -0.372) 6.337 16.976 ( -13.672 -9.699 -4.202) 17.281======================= Grid point 432 (141/670) =======================q-point: ( 0.42 0.16 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.019 ( 28.104 19.696 1.710) 34.361 5.100 ( 13.246 31.156 -1.753) 33.900 6.137 ( 13.790 17.040 -0.173) 21.921 6.594 ( 5.153 3.238 -6.765) 9.100 7.270 ( 13.034 3.848 1.831) 13.713 8.267 ( 28.611 25.411 6.594) 38.830 12.876 ( -8.383 -4.129 2.563) 9.690 14.217 ( 4.610 -6.710 -7.791) 11.268 14.451 ( -11.900 -19.128 0.681) 22.538 14.690 ( 0.522 1.165 2.131) 2.484 15.309 ( -4.495 10.408 -2.108) 11.531 16.634 ( -14.584 -8.254 -2.254) 16.909======================= Grid point 433 (142/670) =======================q-point: ( 0.47 0.16 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.658 ( 26.518 15.387 -1.078) 30.678 5.492 ( 5.106 21.141 -3.107) 21.969 6.562 ( 11.779 14.389 2.203) 18.725 6.678 ( 5.486 7.699 -2.793) 9.857 7.500 ( 11.226 0.577 1.235) 11.309 8.976 ( 26.179 19.491 2.515) 32.735 12.699 ( -9.980 -1.762 1.763) 10.287 14.010 ( -10.566 -22.031 2.158) 24.529 14.264 ( 6.574 -7.243 -7.611) 12.394 14.747 ( 2.671 3.471 1.785) 4.729 15.291 ( -8.962 10.676 -2.657) 14.190 16.331 ( -12.860 -4.568 -0.266) 13.650======================= Grid point 434 (143/670) =======================q-point: ( 0.53 0.16 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.172 ( 19.291 10.100 -2.438) 21.911 5.711 ( 2.191 15.886 -3.837) 16.489 6.653 ( 1.445 -2.774 1.405) 3.429 7.015 ( 7.223 19.609 1.091) 20.925 7.666 ( 8.119 -0.427 -0.249) 8.134 9.517 ( 19.705 9.849 1.014) 22.053 12.523 ( -10.660 1.139 -0.024) 10.721 13.656 ( -4.940 -22.093 0.751) 22.651 14.304 ( 8.032 -6.962 -3.120) 11.078 14.857 ( 3.562 6.696 1.823) 7.801 15.199 ( -11.470 8.273 -2.395) 14.344 16.121 ( -9.841 0.725 0.986) 9.917======================= Grid point 435 (144/670) =======================q-point: ( 0.58 0.16 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.456 ( 6.351 5.063 -2.092) 8.387 5.871 ( 2.389 11.134 -4.281) 12.165 6.626 ( -1.364 -3.875 1.787) 4.480 7.215 ( -1.467 10.542 1.016) 10.692 7.757 ( 2.426 0.522 -1.883) 3.116 9.819 ( 9.479 -0.104 1.049) 9.537 12.377 ( -8.871 4.850 -2.523) 10.420 13.452 ( 4.768 -19.102 0.544) 19.696 14.372 ( 8.140 -6.427 0.842) 10.406 15.004 ( 3.343 9.884 2.323) 10.689 15.065 ( -10.909 5.158 -1.551) 12.167 16.018 ( -6.415 5.288 1.306) 8.416======================= Grid point 436 (145/670) =======================q-point: (-0.37 0.16 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.487 ( -4.317 -0.858 -0.881) 4.489 5.932 ( -4.631 5.461 -2.130) 7.470 6.561 ( -1.501 -3.201 -0.403) 3.558 7.191 ( -10.044 4.807 -0.093) 11.136 7.727 ( -4.229 -1.762 -2.936) 5.442 9.825 ( -4.846 -7.938 1.282) 9.388 12.321 ( -3.629 8.269 -4.634) 10.150 13.455 ( 14.411 -14.312 0.654) 20.321 14.455 ( 7.421 -5.580 3.822) 10.040 14.931 ( -8.522 1.824 -0.587) 8.735 15.170 ( 1.974 12.507 2.775) 12.963 16.018 ( -1.439 7.759 1.331) 8.003======================= Grid point 437 (146/670) =======================q-point: (-0.32 0.16 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.267 ( -15.410 -11.757 1.405) 19.434 5.819 ( -13.116 5.438 0.580) 14.210 6.532 ( 1.118 -1.545 -3.289) 3.802 6.970 ( -20.086 3.040 -1.077) 20.343 7.578 ( -6.888 -6.005 -3.651) 9.840 9.511 ( -20.836 -12.240 0.755) 24.177 12.381 ( 2.081 9.713 -5.392) 11.302 13.648 ( 21.212 -9.067 0.288) 23.070 14.535 ( 5.945 -4.675 5.539) 9.374 14.810 ( -5.870 -1.558 0.204) 6.077 15.316 ( -1.264 13.298 2.530) 13.595 16.139 ( 5.994 8.584 1.737) 10.613======================= Grid point 438 (147/670) =======================q-point: (-0.26 0.16 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.760 ( -26.425 -19.302 3.229) 32.883 5.618 ( -18.944 5.841 2.175) 19.943 6.422 ( -17.947 -1.929 -3.869) 18.460 6.708 ( -5.136 3.185 -1.685) 6.274 7.369 ( -8.201 -7.962 -3.921) 12.084 8.905 ( -35.654 -13.742 -0.405) 38.213 12.527 ( 5.960 9.311 -4.962) 12.118 13.970 ( 23.989 -4.520 -0.518) 24.417 14.600 ( 4.479 -4.039 6.076) 8.561 14.704 ( -3.634 -4.003 0.565) 5.436 15.387 ( -5.450 11.245 1.590) 12.597 16.397 ( 13.303 8.643 2.345) 16.037======================= Grid point 439 (148/670) =======================q-point: (-0.21 0.16 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.067 ( -32.960 -20.759 3.807) 39.138 5.236 ( -33.685 1.308 4.046) 33.952 6.032 ( -19.784 1.031 -4.807) 20.386 6.771 ( 5.870 2.755 -0.264) 6.490 7.118 ( -10.795 -7.748 -3.990) 13.873 8.060 ( -47.775 -13.468 -1.483) 49.659 12.717 ( 8.227 7.961 -3.936) 12.106 14.338 ( 22.729 -1.432 -1.649) 22.834 14.616 ( -1.618 -5.256 1.413) 5.678 14.653 ( 3.602 -2.903 5.226) 6.979 15.365 ( -8.202 7.460 0.593) 11.103 16.746 ( 16.988 7.559 2.222) 18.726======================= Grid point 440 (149/670) =======================q-point: (-0.16 0.16 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.302 ( -36.039 -18.377 4.177) 40.669 4.558 ( -45.551 -2.338 3.719) 45.762 5.775 ( -12.352 2.679 -4.033) 13.267 6.786 ( -19.453 -5.407 -2.103) 20.300 6.943 ( 7.284 1.970 -0.293) 7.552 7.066 ( -50.346 -11.364 -1.629) 51.638 12.926 ( 9.669 6.094 -2.662) 11.735 14.521 ( -0.032 -4.170 -2.746) 4.992 14.702 ( 9.148 -2.880 7.332) 12.072 14.719 ( 12.878 0.823 -1.190) 12.959 15.270 ( -9.201 3.521 -0.075) 9.852 17.106 ( 17.042 5.193 1.115) 17.850======================= Grid point 441 (150/670) =======================q-point: (-0.11 0.16 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.550 ( -36.502 -12.527 5.091) 38.926 3.737 ( -48.845 -3.199 2.678) 49.022 5.605 ( -9.983 1.985 -3.748) 10.847 5.882 ( -62.685 -5.838 -1.119) 62.967 6.545 ( -17.003 -4.179 -0.884) 17.531 7.123 ( 9.775 2.162 1.084) 10.070 13.142 ( 10.976 3.857 -1.273) 11.703 14.462 ( -1.964 -1.706 -2.734) 3.774 14.777 ( 5.648 -4.162 4.564) 8.369 14.990 ( 10.944 3.115 -2.341) 11.617 15.146 ( -5.992 0.239 2.022) 6.328 17.414 ( 14.705 2.236 -0.689) 14.890======================= Grid point 442 (151/670) =======================q-point: (-0.05 0.16 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.890 ( -34.433 -2.997 7.147) 35.294 2.890 ( -48.306 -3.350 1.101) 48.435 4.742 ( -67.026 2.322 0.670) 67.069 5.480 ( -7.693 1.832 -1.236) 8.004 6.228 ( -17.370 -0.581 -1.469) 17.441 7.307 ( 9.407 0.944 1.740) 9.613 13.363 ( 12.470 1.406 0.103) 12.550 14.404 ( -2.978 0.023 -2.720) 4.034 14.809 ( 1.696 -5.951 -2.811) 6.797 15.021 ( -2.787 4.080 2.473) 5.525 15.229 ( 8.110 -0.207 3.404) 8.798 17.635 ( 11.205 -0.337 -2.907) 11.581======================= Grid point 447 (152/670) =======================q-point: ( 0.21 0.21 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.118 ( 0.000 31.100 16.272) 35.100 2.713 ( 0.000 40.374 14.705) 42.968 4.047 ( -0.000 64.369 1.539) 64.388 5.229 ( -0.000 3.420 -7.291) 8.054 6.056 ( -0.000 18.566 -3.709) 18.933 7.420 ( 0.000 -11.179 3.171) 11.620 13.398 ( 0.000 -15.893 -1.498) 15.963 14.393 ( -0.000 5.511 0.980) 5.598 14.709 ( -0.000 2.504 -8.370) 8.737 15.229 ( 0.000 -7.045 -0.865) 7.098 15.326 ( 0.000 -1.985 13.560) 13.704 17.579 ( -0.000 -4.411 -9.394) 10.378======================= Grid point 448 (153/670) =======================q-point: ( 0.26 0.21 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.469 ( -1.082 32.961 14.827) 36.158 3.214 ( 6.731 43.667 9.835) 45.264 4.824 ( 17.114 57.174 -2.529) 59.734 5.314 ( 8.742 6.006 -5.825) 12.101 6.242 ( 2.613 17.306 -3.978) 17.948 7.327 ( -0.601 -8.114 4.541) 9.318 13.244 ( 0.422 -14.992 -1.126) 15.040 14.382 ( -6.178 4.415 -3.072) 8.191 14.787 ( 7.122 4.724 -4.843) 9.823 15.066 ( -8.118 -6.394 1.239) 10.408 15.357 ( 0.400 -6.177 9.548) 11.379 17.480 ( -1.794 -7.723 -7.348) 10.810======================= Grid point 449 (154/670) =======================q-point: ( 0.32 0.21 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.853 ( 3.586 32.904 12.681) 35.445 3.853 ( 13.938 45.137 5.075) 47.512 5.387 ( 11.512 12.912 -9.159) 19.574 5.817 ( 22.672 40.316 -4.936) 46.516 6.457 ( 6.522 14.537 -1.755) 16.029 7.305 ( 2.186 -1.325 8.424) 8.803 13.118 ( 0.985 -13.069 -0.076) 13.106 14.288 ( -6.412 2.885 -7.238) 10.091 14.877 ( -7.531 -4.812 1.534) 9.068 14.941 ( 5.144 2.207 -0.545) 5.624 15.285 ( -2.733 -6.697 5.771) 9.253 17.308 ( -5.585 -10.390 -5.653) 13.080======================= Grid point 450 (155/670) =======================q-point: ( 0.37 0.21 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.325 ( 11.050 30.734 8.934) 33.860 4.562 ( 16.548 42.738 2.459) 45.896 5.670 ( 13.921 9.752 -6.604) 18.235 6.370 ( 8.931 18.383 -13.666) 24.586 6.798 ( 14.638 15.485 2.463) 21.451 7.517 ( 13.160 16.416 11.926) 24.184 13.018 ( 0.286 -10.397 1.229) 10.474 14.181 ( -4.416 -0.118 -9.215) 10.219 14.735 ( -3.672 -5.987 1.033) 7.099 14.876 ( -9.606 -9.149 5.161) 14.234 15.295 ( 3.754 5.447 -0.753) 6.658 17.056 ( -9.381 -11.332 -4.161) 15.288======================= Grid point 451 (156/670) =======================q-point: ( 0.42 0.21 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.873 ( 17.208 26.978 5.061) 32.397 5.200 ( 12.344 33.993 0.213) 36.165 6.034 ( 17.275 16.160 -3.535) 23.917 6.530 ( 4.331 5.610 -8.648) 11.181 7.114 ( 10.648 5.380 1.753) 12.058 8.116 ( 23.035 28.505 7.247) 37.359 12.924 ( -2.169 -7.187 2.056) 7.783 14.080 ( -0.462 -5.692 -8.409) 10.165 14.507 ( -13.527 -16.005 1.784) 21.032 14.713 ( -1.792 -0.276 2.540) 3.121 15.420 ( 1.651 9.045 -1.874) 9.384 16.759 ( -11.438 -10.061 -2.462) 15.431======================= Grid point 452 (157/670) =======================q-point: ( 0.47 0.21 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.445 ( 20.082 22.261 1.902) 30.040 5.612 ( 5.139 22.428 -2.115) 23.106 6.482 ( 12.125 9.794 0.204) 15.588 6.666 ( 9.502 16.921 -4.455) 19.911 7.317 ( 10.253 0.087 1.253) 10.330 8.779 ( 22.195 22.854 2.708) 31.973 12.814 ( -5.310 -3.756 1.586) 6.694 13.966 ( -2.852 -18.288 1.119) 18.543 14.134 ( -8.544 -9.045 -6.481) 14.030 14.745 ( 2.253 3.381 1.895) 4.483 15.487 ( -3.590 8.810 -2.422) 9.817 16.481 ( -10.869 -6.155 -0.539) 12.502======================= Grid point 453 (158/670) =======================q-point: ( 0.53 0.21 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.970 ( 18.578 16.771 -0.361) 25.031 5.838 ( 1.002 16.925 -3.019) 17.221 6.589 ( 3.325 -2.340 0.350) 4.081 7.106 ( 8.658 25.061 0.810) 26.527 7.488 ( 11.661 -0.781 -0.968) 11.727 9.299 ( 18.289 12.080 0.628) 21.927 12.689 ( -7.411 -0.010 -0.056) 7.411 13.601 ( -12.072 -20.521 2.664) 23.957 14.067 ( 7.502 -8.824 -5.242) 12.714 14.856 ( 4.205 6.340 1.934) 7.850 15.448 ( -8.883 7.034 -2.666) 11.640 16.286 ( -8.537 -0.229 0.923) 8.589======================= Grid point 454 (159/670) =======================q-point: ( 0.58 0.21 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.363 ( 11.715 10.463 -1.675) 15.796 5.975 ( -1.006 13.978 -3.116) 14.356 6.600 ( 0.917 -3.402 1.245) 3.737 7.324 ( 0.055 6.250 1.928) 6.541 7.713 ( 7.360 10.832 -2.759) 13.383 9.629 ( 12.970 1.069 0.422) 13.021 12.574 ( -8.331 4.760 -2.175) 9.838 13.266 ( -4.890 -18.055 1.216) 18.745 14.122 ( 10.866 -10.529 -0.326) 15.134 15.008 ( 4.416 7.019 2.273) 8.598 15.331 ( -10.911 7.002 -2.255) 13.159 16.187 ( -6.663 4.691 1.326) 8.256======================= Grid point 455 (160/670) =======================q-point: (-0.37 0.21 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.530 ( 0.363 3.360 -1.651) 3.762 6.057 ( -2.729 10.743 -2.513) 11.365 6.561 ( -1.710 -3.514 0.931) 4.018 7.325 ( -2.382 -0.704 0.346) 2.508 7.831 ( -5.364 9.716 -2.668) 11.414 9.755 ( 4.692 -6.712 0.970) 8.247 12.493 ( -7.715 9.203 -4.075) 12.682 13.126 ( 7.213 -14.534 0.739) 16.242 14.217 ( 11.831 -10.672 3.160) 16.243 15.072 ( -5.271 1.275 0.931) 5.503 15.294 ( -1.519 12.883 0.086) 12.973 16.153 ( -4.710 7.052 1.177) 8.561======================= Grid point 456 (161/670) =======================q-point: (-0.32 0.21 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.422 ( -11.957 -5.021 -0.115) 12.969 6.057 ( -7.760 8.112 -0.738) 11.250 6.504 ( -0.932 -1.903 -1.222) 2.447 7.243 ( -7.444 0.410 -1.048) 7.529 7.702 ( -14.409 1.660 -2.477) 14.714 9.653 ( -8.000 -9.870 1.046) 12.748 12.476 ( -3.695 10.498 -4.684) 12.075 13.227 ( 17.636 -9.165 0.185) 19.876 14.326 ( 11.249 -10.126 5.074) 15.964 14.942 ( -9.135 0.310 0.043) 9.140 15.443 ( 1.825 12.448 1.451) 12.665 16.179 ( -0.575 7.354 1.091) 7.456======================= Grid point 457 (162/670) =======================q-point: (-0.26 0.21 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.040 ( -23.307 -11.443 1.685) 26.019 5.952 ( -13.184 6.791 0.536) 14.840 6.491 ( 0.644 -0.522 -2.615) 2.743 7.038 ( -20.172 4.784 -1.562) 20.790 7.428 ( -11.493 -6.903 -2.343) 13.609 9.295 ( -23.347 -9.695 0.466) 25.284 12.540 ( 1.364 9.368 -4.042) 10.294 13.517 ( 23.684 -4.211 -0.592) 24.063 14.426 ( 9.405 -9.434 5.557) 14.433 14.796 ( -7.938 -0.117 -0.087) 7.939 15.562 ( -2.014 9.835 1.084) 10.098 16.302 ( 7.038 6.561 1.298) 9.709======================= Grid point 458 (163/670) =======================q-point: (-0.21 0.21 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.461 ( -31.354 -12.542 2.481) 33.861 5.731 ( -21.003 3.740 1.445) 21.382 6.387 ( -16.831 0.729 -3.051) 17.121 6.773 ( -7.954 4.340 -1.333) 9.158 7.194 ( -8.093 -7.163 -1.929) 10.978 8.689 ( -38.183 -7.786 0.029) 38.969 12.666 ( 5.173 7.186 -2.789) 9.283 13.910 ( 25.433 -0.924 -1.370) 25.486 14.490 ( 6.427 -8.741 4.670) 11.812 14.686 ( -4.703 0.277 -0.013) 4.711 15.564 ( -6.918 5.950 0.380) 9.132 16.547 ( 14.120 5.000 1.167) 15.025======================= Grid point 459 (164/670) =======================q-point: (-0.16 0.21 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.790 ( -35.887 -9.124 2.720) 37.128 5.264 ( -37.183 -0.630 1.457) 37.217 6.050 ( -18.838 2.826 -2.735) 19.244 6.815 ( 5.936 1.636 -2.735) 6.738 6.981 ( -10.900 -3.176 -0.354) 11.359 7.881 ( -49.846 -4.323 1.317) 50.050 12.826 ( 7.613 4.501 -1.291) 8.938 14.312 ( 21.206 0.828 -3.839) 21.566 14.512 ( 4.814 -5.883 3.649) 8.432 14.653 ( 0.436 -0.387 1.371) 1.490 15.462 ( -9.617 2.362 -0.096) 9.903 16.855 ( 17.097 2.330 0.194) 17.256======================= Grid point 460 (165/670) =======================q-point: (-0.11 0.21 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.121 ( -37.425 -2.012 3.047) 37.603 4.530 ( -46.727 -1.961 0.167) 46.769 5.806 ( -12.946 1.999 -1.841) 13.228 6.736 ( -19.576 1.225 0.673) 19.626 6.812 ( -24.386 -2.545 -14.074) 28.271 7.107 ( -19.669 3.546 13.995) 24.400 12.997 ( 9.288 1.607 0.237) 9.429 14.445 ( 1.214 0.109 -6.280) 6.397 14.674 ( 4.665 -2.978 3.793) 6.710 14.745 ( 17.333 0.639 1.366) 17.398 15.303 ( -9.995 0.077 0.011) 9.995 17.150 ( 16.812 -0.839 -1.381) 16.890======================= Grid point 461 (166/670) =======================q-point: (-0.05 0.21 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.535 ( -36.231 7.967 3.812) 37.292 3.695 ( -49.353 -1.286 -1.229) 49.385 5.618 ( -12.130 2.009 -2.356) 12.519 5.910 ( -58.736 7.520 0.856) 59.222 6.515 ( -15.578 2.803 -2.498) 16.024 7.183 ( 6.758 1.489 6.049) 9.191 13.171 ( 10.819 -1.097 1.521) 10.981 14.433 ( -1.210 2.213 -5.926) 6.440 14.713 ( 2.960 -3.577 -0.604) 4.682 15.024 ( 12.454 0.569 0.548) 12.479 15.162 ( -5.188 -0.488 3.528) 6.292 17.387 ( 14.703 -3.518 -3.158) 15.445======================= Grid point 467 (167/670) =======================q-point: ( 0.26 0.26 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.865 ( 0.000 35.774 10.074) 37.166 3.616 ( 0.000 42.662 12.093) 44.343 5.248 ( -0.000 3.896 -7.917) 8.824 5.262 ( -0.000 60.114 -4.016) 60.248 6.372 ( -0.000 16.197 -5.134) 16.992 7.283 ( 0.000 -4.936 6.910) 8.492 13.084 ( 0.000 -15.302 -1.523) 15.377 14.516 ( -0.000 6.152 1.232) 6.274 14.702 ( -0.000 2.506 -8.168) 8.544 15.078 ( 0.000 -7.627 -0.912) 7.681 15.324 ( 0.000 -6.476 9.967) 11.886 17.387 ( -0.000 -9.732 -6.195) 11.536======================= Grid point 468 (168/670) =======================q-point: ( 0.32 0.26 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.228 ( -1.791 36.159 8.593) 37.209 4.134 ( 7.126 43.806 9.022) 45.289 5.306 ( 5.728 6.061 -8.609) 11.986 5.915 ( 12.715 47.414 -8.644) 49.844 6.519 ( 2.412 14.273 -3.426) 14.876 7.311 ( 1.758 3.808 10.631) 11.428 12.949 ( 1.965 -14.495 -1.006) 14.662 14.453 ( -9.793 5.162 -3.869) 11.727 14.791 ( 5.127 -3.588 -2.327) 6.677 14.983 ( -1.308 -0.976 0.085) 1.634 15.268 ( -1.704 -8.034 6.022) 10.183 17.243 ( -2.214 -12.136 -4.934) 13.286======================= Grid point 469 (169/670) =======================q-point: ( 0.37 0.26 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.587 ( 0.701 34.738 7.403) 35.525 4.751 ( 12.026 42.399 5.917) 44.467 5.500 ( 12.752 7.969 -8.519) 17.283 6.367 ( 6.112 16.795 -14.328) 22.907 6.776 ( 8.669 18.655 1.814) 20.651 7.553 ( 9.256 22.109 12.003) 26.806 12.863 ( 3.805 -12.998 0.057) 13.544 14.298 ( -10.749 1.853 -6.692) 12.796 14.709 ( -2.152 -8.932 0.748) 9.218 14.970 ( -6.503 -4.962 4.679) 9.424 15.249 ( 5.806 2.739 -1.437) 6.578 17.042 ( -5.017 -13.460 -3.766) 14.850======================= Grid point 470 (170/670) =======================q-point: ( 0.42 0.26 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.989 ( 5.979 31.650 5.309) 32.644 5.339 ( 10.397 32.013 3.113) 33.803 5.855 ( 19.630 16.367 -6.472) 26.365 6.485 ( 3.634 5.015 -9.297) 11.171 7.048 ( 6.207 9.297 2.025) 11.361 8.103 ( 16.687 32.824 7.194) 37.518 12.819 ( 4.230 -10.758 1.232) 11.625 14.080 ( -9.203 -6.582 -6.336) 12.968 14.582 ( -7.600 -6.960 0.773) 10.334 14.770 ( -6.869 -4.697 2.686) 8.744 15.420 ( 6.764 7.105 -2.075) 10.027 16.798 ( -7.119 -12.593 -2.436) 14.669======================= Grid point 471 (171/670) =======================q-point: ( 0.47 0.26 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.435 ( 10.922 27.183 3.067) 29.455 5.721 ( 6.326 19.138 -0.870) 20.175 6.360 ( 14.791 13.079 -0.945) 19.767 6.626 ( 11.980 15.851 -6.239) 20.826 7.206 ( 4.873 3.250 2.128) 6.232 8.704 ( 16.297 26.991 2.751) 31.650 12.793 ( 2.207 -7.470 1.607) 7.953 13.836 ( -4.584 -16.130 -2.075) 16.896 14.279 ( -16.759 -6.161 -3.203) 18.141 14.748 ( 1.837 2.856 1.885) 3.884 15.561 ( 2.523 6.238 -2.342) 7.125 16.561 ( -7.249 -8.789 -0.788) 11.420======================= Grid point 472 (172/670) =======================q-point: ( 0.53 0.26 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.889 ( 13.245 21.691 1.182) 25.442 5.960 ( 3.201 15.540 -2.209) 16.019 6.509 ( 3.930 -1.038 0.061) 4.065 7.177 ( 18.515 30.611 -2.239) 35.844 7.294 ( 5.019 -2.920 1.107) 5.911 9.165 ( 12.975 15.203 0.279) 19.989 12.749 ( -1.482 -3.534 0.240) 3.840 13.588 ( -5.011 -20.900 4.662) 21.992 13.965 ( -9.741 -4.483 -7.600) 13.143 14.856 ( 4.130 6.751 1.860) 8.130 15.596 ( -3.217 3.842 -2.752) 5.716 16.397 ( -5.474 -2.473 0.715) 6.049======================= Grid point 473 (173/670) =======================q-point: ( 0.58 0.26 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.286 ( 11.358 15.234 -0.309) 19.005 6.123 ( -0.182 14.531 -2.132) 14.688 6.545 ( 2.305 -2.239 0.755) 3.301 7.308 ( 2.245 -5.708 0.909) 6.201 7.729 ( 12.196 26.876 -1.881) 29.574 9.441 ( 10.132 2.207 -0.398) 10.377 12.687 ( -2.928 0.013 -1.877) 3.478 13.282 ( -11.798 -13.728 3.830) 18.501 13.848 ( 5.894 -10.533 -3.376) 12.533 15.015 ( 4.579 8.372 2.073) 9.765 15.525 ( -7.037 2.831 -2.588) 8.014 16.325 ( -4.319 2.898 1.242) 5.347======================= Grid point 474 (174/670) =======================q-point: ( 0.63 0.26 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.536 ( 4.416 7.843 -1.225) 9.083 6.222 ( -3.371 13.199 -1.570) 13.713 6.547 ( 0.199 -2.531 0.871) 2.684 7.275 ( 2.105 -8.038 -0.045) 8.309 8.054 ( -2.171 21.897 -1.798) 22.078 9.568 ( 8.578 -7.250 0.173) 11.233 12.660 ( -1.750 4.850 -3.352) 6.150 12.999 ( -8.343 -9.033 1.286) 12.364 13.895 ( 12.766 -13.005 1.684) 18.301 15.150 ( 0.185 5.746 2.062) 6.107 15.442 ( -4.636 5.773 -1.819) 7.625 16.298 ( -4.320 5.298 1.084) 6.922======================= Grid point 475 (175/670) =======================q-point: (-0.32 0.26 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.556 ( -6.592 0.419 -0.877) 6.663 6.255 ( -5.966 10.357 -0.833) 11.981 6.510 ( -1.771 -1.917 0.156) 2.615 7.237 ( 2.005 -6.362 -0.869) 6.727 8.052 ( -17.049 12.824 -1.724) 21.403 9.596 ( 3.677 -9.426 0.680) 10.141 12.667 ( -6.978 11.028 -4.015) 13.654 12.901 ( 9.163 -8.965 0.456) 12.827 14.015 ( 14.296 -12.047 3.744) 19.066 15.103 ( -8.529 1.241 0.713) 8.649 15.511 ( 2.736 8.922 0.023) 9.332 16.287 ( -3.572 5.493 0.831) 6.605======================= Grid point 476 (176/670) =======================q-point: (-0.26 0.26 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.320 ( -18.284 -4.664 0.342) 18.872 6.207 ( -9.571 6.563 -0.120) 11.606 6.474 ( -0.457 -0.356 -0.981) 1.139 7.206 ( -0.649 -2.273 -1.267) 2.682 7.749 ( -26.473 3.520 -1.200) 26.733 9.485 ( -8.328 -7.096 0.441) 10.950 12.638 ( -4.435 7.912 -2.701) 9.464 13.107 ( 20.016 -2.911 -0.572) 20.235 14.155 ( 13.138 -9.723 3.521) 16.719 14.950 ( -9.853 0.281 0.325) 9.862 15.642 ( 2.414 6.900 0.322) 7.318 16.302 ( 0.010 4.223 0.714) 4.283======================= Grid point 477 (177/670) =======================q-point: (-0.21 0.26 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.881 ( -27.435 -5.180 1.013) 27.938 6.054 ( -14.111 2.762 -0.013) 14.379 6.478 ( 0.391 0.579 -1.185) 1.376 7.135 ( -13.089 6.185 -1.108) 14.519 7.290 ( -20.816 -6.018 -0.425) 21.673 9.162 ( -23.916 -3.771 0.150) 24.212 12.665 ( 0.977 4.861 -1.250) 5.114 13.475 ( 24.669 0.024 -0.709) 24.679 14.283 ( 10.260 -6.786 1.719) 12.421 14.797 ( -8.121 0.086 0.261) 8.126 15.695 ( -2.619 3.274 -0.091) 4.194 16.396 ( 7.622 2.156 0.490) 7.936======================= Grid point 478 (178/670) =======================q-point: (-0.16 0.26 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.334 ( -33.240 -1.311 1.031) 33.282 5.762 ( -22.688 -1.047 -0.518) 22.718 6.402 ( -15.044 1.822 -0.541) 15.164 6.821 ( -11.758 0.266 -2.060) 11.940 7.117 ( -6.245 1.292 1.239) 6.496 8.616 ( -38.360 0.182 0.876) 38.370 12.748 ( 4.935 1.666 0.389) 5.223 13.909 ( 25.680 1.182 -0.776) 25.719 14.377 ( 6.609 -3.357 -0.972) 7.476 14.692 ( -4.451 0.057 0.564) 4.487 15.620 ( -7.439 -0.255 -0.431) 7.456 16.593 ( 14.164 -0.697 -0.395) 14.186======================= Grid point 479 (179/670) =======================q-point: (-0.11 0.26 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.771 ( -35.867 5.892 0.921) 36.360 5.231 ( -37.467 -2.492 -1.617) 37.584 6.083 ( -19.142 1.193 0.374) 19.183 6.770 ( 1.983 -1.544 -5.716) 6.244 7.033 ( -8.944 5.903 3.340) 11.225 7.915 ( -47.441 5.516 4.369) 47.960 12.860 ( 7.536 -1.400 1.918) 7.901 14.320 ( 18.621 2.857 -4.710) 19.419 14.455 ( 8.214 -0.921 0.225) 8.269 14.653 ( -0.368 -0.512 1.040) 1.217 15.457 ( -9.382 -2.673 -0.564) 9.772 16.833 ( 16.810 -3.920 -1.827) 17.357======================= Grid point 480 (180/670) =======================q-point: (-0.05 0.26 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.268 ( -35.723 14.948 1.008) 38.737 4.491 ( -45.878 -0.765 -2.527) 45.954 5.825 ( -13.075 0.738 0.703) 13.115 6.688 ( -12.111 1.175 -12.485) 17.434 6.877 ( -24.989 8.963 2.770) 26.692 7.317 ( -25.023 8.389 13.698) 29.735 12.986 ( 9.378 -3.730 2.952) 10.516 14.446 ( 1.265 5.361 -9.524) 11.002 14.644 ( 2.540 -1.925 1.754) 3.638 14.758 ( 17.748 -0.500 2.365) 17.912 15.271 ( -8.011 -3.614 0.046) 8.788 17.058 ( 16.770 -6.553 -3.386) 18.320======================= Grid point 487 (181/670) =======================q-point: ( 0.32 0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.628 ( -0.000 36.906 4.278) 37.153 4.527 ( 0.000 42.378 10.346) 43.623 5.272 ( -0.000 4.380 -8.365) 9.442 6.201 ( -0.000 34.589 -13.521) 37.138 6.635 ( -0.000 17.523 -0.732) 17.539 7.422 ( 0.000 15.413 12.420) 19.794 12.785 ( 0.000 -14.489 -0.925) 14.519 14.633 ( 0.000 3.698 1.674) 4.059 14.683 ( -0.000 0.210 -6.176) 6.179 14.936 ( 0.000 -5.252 -1.183) 5.384 15.228 ( 0.000 -7.798 4.389) 8.948 17.118 ( -0.000 -14.118 -4.029) 14.682======================= Grid point 488 (182/670) =======================q-point: ( 0.37 0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.971 ( -2.155 35.371 2.699) 35.539 5.019 ( 6.351 38.660 9.611) 40.340 5.360 ( 8.175 7.871 -9.677) 14.914 6.386 ( 2.020 10.159 -12.625) 16.330 6.872 ( 3.550 20.396 1.419) 20.751 7.731 ( 5.125 31.722 10.791) 33.897 12.669 ( 2.985 -13.783 -0.207) 14.104 14.497 ( -12.980 -0.373 -4.496) 13.742 14.658 ( -0.539 -5.938 1.232) 6.088 14.986 ( 3.279 -1.564 1.394) 3.892 15.166 ( 2.313 -2.553 -1.217) 3.654 16.944 ( -1.862 -15.481 -3.176) 15.913======================= Grid point 489 (183/670) =======================q-point: ( 0.42 0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.280 ( -0.687 32.232 2.097) 32.308 5.443 ( 8.943 14.719 2.766) 17.444 5.723 ( 16.260 29.951 -4.770) 34.412 6.444 ( 2.516 3.612 -7.505) 8.701 7.090 ( 2.577 12.163 1.908) 12.579 8.246 ( 10.022 37.777 6.368) 39.599 12.617 ( 5.801 -12.509 0.785) 13.811 14.188 ( -14.470 -10.403 -3.597) 18.181 14.631 ( -1.228 1.474 0.759) 2.063 14.859 ( -9.003 -6.781 0.656) 11.291 15.321 ( 10.404 4.521 -2.589) 11.636 16.741 ( -3.229 -14.995 -2.220) 15.499======================= Grid point 490 (184/670) =======================q-point: ( 0.47 0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.601 ( 3.332 28.062 1.458) 28.296 5.721 ( 10.717 9.555 -1.742) 14.463 6.275 ( 12.992 20.502 -0.012) 24.272 6.558 ( 9.788 13.326 -4.489) 17.133 7.219 ( 1.195 7.163 1.982) 7.528 8.779 ( 9.810 31.533 2.647) 33.129 12.623 ( 7.392 -10.257 1.538) 12.736 13.816 ( -12.312 -16.411 -1.561) 20.575 14.515 ( -15.677 -0.510 -3.405) 16.051 14.747 ( 1.843 1.635 1.728) 3.009 15.510 ( 7.772 3.235 -2.500) 8.782 16.546 ( -3.203 -11.537 -0.932) 12.010======================= Grid point 491 (185/670) =======================q-point: ( 0.53 0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.944 ( 7.135 23.009 0.807) 24.103 5.979 ( 9.330 9.923 -2.313) 13.816 6.451 ( 2.960 1.456 0.697) 3.371 7.056 ( 18.332 20.862 -1.576) 27.817 7.308 ( 2.859 9.584 1.032) 10.055 9.173 ( 6.200 19.665 0.213) 20.620 12.665 ( 6.110 -6.373 1.097) 8.897 13.471 ( -6.788 -19.733 1.653) 20.933 14.186 ( -18.947 -1.300 -5.474) 19.765 14.859 ( 4.392 7.086 1.818) 8.532 15.610 ( 2.778 0.310 -2.861) 4.000 16.421 ( -1.578 -5.216 0.425) 5.466======================= Grid point 492 (186/670) =======================q-point: ( 0.58 0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.277 ( 8.450 16.989 0.155) 18.975 6.207 ( 5.967 11.538 -1.686) 13.099 6.498 ( 1.916 -0.177 1.005) 2.171 7.210 ( 0.973 -5.450 0.108) 5.537 7.755 ( 17.407 28.158 -0.645) 33.110 9.365 ( 2.346 5.655 -0.889) 6.187 12.686 ( 0.788 -2.365 -1.236) 2.783 13.246 ( 0.604 -17.536 5.673) 18.440 13.845 ( -15.641 -2.896 -5.986) 16.995 15.027 ( 5.022 9.168 1.943) 10.633 15.597 ( -1.778 -1.468 -2.799) 3.627 16.388 ( -0.593 0.472 1.008) 1.261======================= Grid point 493 (187/670) =======================q-point: ( 0.63 0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.535 ( 5.705 10.190 -0.451) 11.687 6.380 ( 0.600 12.523 -0.943) 12.573 6.525 ( 0.995 0.153 1.062) 1.464 7.140 ( 1.341 -10.472 -0.673) 10.578 8.253 ( 8.292 26.503 -0.579) 27.776 9.382 ( 2.557 -7.577 -0.728) 8.030 12.649 ( -0.371 -2.330 -2.141) 3.186 13.145 ( -5.596 -3.128 3.985) 7.549 13.619 ( 0.537 -10.584 -2.402) 10.866 15.199 ( 3.139 8.616 2.185) 9.427 15.528 ( -3.117 -0.633 -2.439) 4.008 16.394 ( -1.548 2.983 0.881) 3.475======================= Grid point 494 (188/670) =======================q-point: (-0.32 0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.642 ( -1.374 3.743 -0.651) 4.040 6.448 ( -3.937 7.972 -0.386) 8.900 6.534 ( -2.749 2.844 0.741) 4.025 7.087 ( 5.383 -9.806 -0.988) 11.230 8.462 ( -12.018 19.716 -0.922) 23.108 9.372 ( 9.521 -12.044 0.050) 15.353 12.658 ( 5.747 -2.497 -1.101) 6.362 12.985 ( -14.294 6.227 -1.112) 15.631 13.652 ( 14.903 -12.751 2.174) 19.734 15.250 ( -5.793 3.096 1.385) 6.713 15.524 ( 2.790 3.544 -1.213) 4.671 16.390 ( -2.887 3.170 0.612) 4.331======================= Grid point 495 (189/670) =======================q-point: (-0.26 0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.550 ( -11.262 -0.296 -0.215) 11.268 6.409 ( -7.765 4.377 0.060) 8.914 6.495 ( -2.689 0.384 -0.164) 2.721 7.122 ( 5.813 -3.463 -0.624) 6.795 8.248 ( -25.736 6.626 -0.629) 26.582 9.441 ( 6.137 -5.264 -0.011) 8.086 12.782 ( 6.402 -3.032 -0.269) 7.089 12.840 ( -3.454 7.301 -1.342) 8.188 13.829 ( 16.147 -7.763 1.570) 17.985 15.124 ( -9.935 0.387 0.564) 9.958 15.629 ( 4.549 3.158 -0.397) 5.552 16.365 ( -2.973 1.866 0.441) 3.538======================= Grid point 496 (190/670) =======================q-point: (-0.21 0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.269 ( -20.884 -0.327 0.071) 20.887 6.273 ( -10.644 -0.187 -0.349) 10.651 6.474 ( -0.112 0.628 -0.090) 0.645 7.183 ( 2.397 0.997 0.368) 2.622 7.788 ( -31.258 0.518 -0.282) 31.264 9.409 ( -7.740 -0.278 -0.361) 7.753 12.720 ( -3.967 1.289 -0.008) 4.171 13.096 ( 19.976 0.972 0.472) 20.005 14.035 ( 13.616 -2.527 -1.033) 13.887 14.955 ( -10.066 -0.095 0.459) 10.076 15.706 ( 2.526 -0.278 -0.713) 2.640 16.344 ( 0.151 -0.326 0.306) 0.472======================= Grid point 497 (191/670) =======================q-point: (-0.16 0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.867 ( -27.819 3.561 -0.260) 28.047 6.042 ( -14.581 -3.504 -1.193) 15.044 6.497 ( 0.744 1.560 0.612) 1.833 7.163 ( -14.566 -5.274 1.597) 15.574 7.294 ( -19.255 8.229 -0.136) 20.940 9.160 ( -23.433 3.515 -0.055) 23.696 12.698 ( 1.188 -1.805 1.757) 2.786 13.490 ( 24.633 1.088 0.869) 24.672 14.221 ( 9.745 1.835 -4.229) 10.780 14.801 ( -7.993 -0.023 0.592) 8.014 15.684 ( -2.508 -3.972 -1.126) 4.830 16.387 ( 7.222 -3.078 -0.295) 7.856======================= Grid point 498 (192/670) =======================q-point: (-0.11 0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.425 ( -31.682 10.295 -0.808) 33.323 5.690 ( -22.406 -4.916 -2.428) 23.067 6.444 ( -15.635 1.765 2.246) 15.894 6.767 ( -10.424 -2.893 -1.740) 10.957 7.248 ( -6.864 8.775 2.881) 11.507 8.706 ( -36.477 7.865 1.616) 37.350 12.731 ( 5.209 -4.579 3.264) 7.665 13.933 ( 25.545 1.244 0.913) 25.591 14.366 ( 5.899 4.918 -7.098) 10.458 14.697 ( -4.554 0.065 1.025) 4.669 15.547 ( -6.587 -6.661 -1.286) 9.455 16.517 ( 13.327 -6.116 -1.554) 14.746======================= Grid point 499 (193/670) =======================q-point: (-0.05 0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.013 ( -32.893 18.271 -1.205) 37.646 5.156 ( -34.658 -2.941 -3.457) 34.954 6.110 ( -19.926 1.031 2.616) 20.124 6.718 ( 0.684 0.112 -4.792) 4.842 7.208 ( -9.712 8.750 3.994) 13.669 8.136 ( -42.993 13.113 5.513) 45.285 12.803 ( 7.971 -6.136 4.096) 10.861 14.343 ( 18.512 1.825 -2.361) 18.751 14.488 ( 7.742 5.924 -5.652) 11.268 14.652 ( -1.502 -0.169 1.477) 2.114 15.345 ( -7.558 -8.322 -1.348) 11.323 16.690 ( 16.165 -8.525 -2.966) 18.515======================= Grid point 507 (194/670) =======================q-point: ( 0.37 0.37 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.331 ( -0.000 33.499 -1.373) 33.527 5.252 ( 0.000 6.847 3.265) 7.585 5.439 ( -0.000 36.613 -2.511) 36.699 6.402 ( -0.000 4.456 -8.481) 9.581 7.039 ( -0.000 17.239 1.733) 17.326 8.073 ( -0.000 40.083 8.040) 40.881 12.508 ( 0.000 -13.695 0.235) 13.697 14.602 ( -0.000 -5.917 -2.381) 6.378 14.617 ( 0.000 -6.302 1.152) 6.407 14.921 ( -0.000 4.362 -0.634) 4.408 15.115 ( -0.000 -3.639 -2.351) 4.333 16.790 ( 0.000 -16.841 -2.591) 17.039======================= Grid point 508 (195/670) =======================q-point: ( 0.42 0.37 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.610 ( -2.016 29.456 -2.595) 29.638 5.354 ( 7.906 3.269 -2.601) 8.942 5.877 ( 6.865 37.124 2.126) 37.813 6.425 ( 1.272 3.166 -4.106) 5.339 7.195 ( 0.348 12.346 2.174) 12.541 8.535 ( 3.991 41.115 4.970) 41.606 12.410 ( 3.753 -13.077 0.990) 13.641 14.320 ( -15.122 -12.414 -1.448) 19.619 14.637 ( 3.246 -0.764 1.107) 3.514 14.936 ( -5.512 -1.357 -1.621) 5.903 15.166 ( 9.600 2.811 -3.368) 10.554 16.610 ( -0.757 -16.629 -1.948) 16.760======================= Grid point 509 (196/670) =======================q-point: ( 0.47 0.37 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.840 ( -0.403 24.651 -1.900) 24.727 5.559 ( 13.046 3.746 -3.619) 14.048 6.325 ( 5.667 19.940 1.934) 20.820 6.537 ( 8.434 15.896 -0.989) 18.022 7.301 ( -0.698 8.482 1.950) 8.731 8.996 ( 4.146 34.702 2.335) 35.027 12.389 ( 7.497 -11.671 1.679) 13.972 13.905 ( -16.682 -15.195 -0.909) 22.583 14.717 ( 4.315 0.886 1.528) 4.662 14.755 ( -12.794 1.811 -3.868) 13.488 15.360 ( 10.649 0.985 -2.749) 11.042 16.445 ( -0.076 -13.623 -1.012) 13.661======================= Grid point 510 (197/670) =======================q-point: ( 0.53 0.37 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.074 ( 3.013 19.978 -1.011) 20.229 5.823 ( 14.844 3.971 -3.322) 15.721 6.451 ( 0.732 4.226 1.738) 4.628 7.000 ( 15.011 24.031 1.382) 28.367 7.361 ( 0.151 6.697 0.327) 6.706 9.332 ( 0.650 23.657 0.353) 23.668 12.447 ( 10.408 -8.801 1.830) 13.753 13.482 ( -14.554 -16.160 0.251) 21.749 14.475 ( -17.144 -0.637 -4.642) 17.773 14.859 ( 4.754 7.817 1.723) 9.310 15.497 ( 7.454 -2.691 -3.006) 8.476 16.354 ( 2.008 -7.619 0.099) 7.880======================= Grid point 511 (198/670) =======================q-point: ( 0.58 0.37 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.317 ( 5.630 14.714 -0.507) 15.762 6.107 ( 14.455 5.290 -2.020) 15.524 6.494 ( 0.069 2.285 1.486) 2.727 7.217 ( -3.861 1.308 1.712) 4.421 7.672 ( 19.834 20.609 -0.723) 28.612 9.467 ( -4.540 10.853 -0.753) 11.788 12.571 ( 10.161 -3.694 0.593) 10.828 13.130 ( -8.065 -15.992 2.379) 18.068 14.138 ( -20.150 -0.067 -4.535) 20.655 15.037 ( 5.362 9.485 1.854) 11.052 15.539 ( 3.547 -5.021 -2.918) 6.805 16.360 ( 3.342 -1.875 0.644) 3.886======================= Grid point 512 (199/670) =======================q-point: ( 0.63 0.37 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.531 ( 5.852 8.868 -0.282) 10.629 6.389 ( 11.020 7.908 -1.014) 13.602 6.515 ( 0.907 0.773 1.210) 1.698 7.097 ( -6.909 -5.498 0.053) 8.829 8.224 ( 21.302 18.943 0.083) 28.507 9.392 ( -9.106 -1.197 -0.944) 9.232 12.652 ( -0.952 0.356 -2.198) 2.422 12.993 ( 9.321 -12.171 5.214) 16.193 13.775 ( -20.400 -0.768 -3.667) 20.741 15.226 ( 4.909 9.439 1.978) 10.822 15.513 ( 0.610 -5.036 -2.485) 5.649 16.409 ( 2.250 0.768 0.536) 2.437======================= Grid point 513 (200/670) =======================q-point: ( 0.68 0.37 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.666 ( 2.642 3.519 -0.192) 4.405 6.491 ( -0.251 0.827 -0.236) 0.896 6.670 ( 4.670 11.785 1.142) 12.728 6.912 ( -2.858 -11.713 -1.020) 12.100 8.721 ( 12.831 20.171 0.133) 23.907 9.158 ( -7.817 -13.522 -0.532) 15.628 12.597 ( -1.289 -1.129 -0.791) 1.887 13.172 ( 12.303 1.135 2.725) 12.652 13.430 ( -14.306 -5.560 -2.064) 15.487 15.362 ( -1.610 5.507 2.003) 6.077 15.474 ( 3.087 -2.483 -2.087) 4.477 16.439 ( -0.157 0.981 0.270) 1.030======================= Grid point 514 (201/670) =======================q-point: (-0.26 0.37 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.677 ( -3.597 0.310 -0.049) 3.611 6.486 ( -0.873 0.198 0.227) 0.924 6.633 ( -10.920 -0.947 -0.096) 10.962 6.961 ( 10.602 1.092 -0.185) 10.659 8.708 ( -23.215 0.543 0.104) 23.221 9.200 ( 17.616 -0.103 -0.306) 17.619 12.625 ( 5.553 0.407 0.028) 5.568 13.094 ( -16.224 1.414 -0.081) 16.286 13.487 ( 18.253 -1.823 0.004) 18.344 15.281 ( -7.876 -0.705 0.368) 7.916 15.559 ( 5.216 0.620 -0.390) 5.267 16.421 ( -2.338 -0.311 0.104) 2.361======================= Grid point 515 (202/670) =======================q-point: (-0.21 0.37 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.552 ( -11.642 0.671 0.002) 11.662 6.411 ( -8.369 -4.509 0.121) 9.507 6.494 ( -1.661 0.015 -0.173) 1.670 7.135 ( 6.057 4.552 0.636) 7.604 8.259 ( -25.821 -5.480 0.426) 26.400 9.433 ( 6.013 4.831 -0.747) 7.750 12.771 ( 5.347 2.344 -1.369) 5.997 12.891 ( -2.013 -3.474 3.526) 5.343 13.786 ( 15.507 4.421 -2.579) 16.330 15.123 ( -9.654 -0.892 0.414) 9.704 15.625 ( 4.026 -3.145 -0.789) 5.170 16.361 ( -2.916 -2.453 0.081) 3.811======================= Grid point 516 (203/670) =======================q-point: (-0.16 0.37 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.310 ( -19.335 4.432 -0.607) 19.846 6.198 ( -10.302 -6.378 -1.008) 12.159 6.498 ( 0.676 1.388 1.236) 1.978 7.239 ( 0.230 2.830 1.867) 3.398 7.766 ( -26.765 -2.253 0.333) 26.862 9.471 ( -8.069 6.720 -0.830) 10.534 12.691 ( -3.723 -4.990 2.089) 6.567 13.128 ( 19.880 1.970 1.776) 20.056 14.064 ( 11.938 7.478 -5.138) 14.994 14.953 ( -9.609 -0.385 0.652) 9.639 15.622 ( 1.985 -7.459 -1.592) 7.881 16.294 ( -0.198 -4.840 -0.005) 4.844======================= Grid point 517 (204/670) =======================q-point: (-0.11 0.37 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.005 ( -24.502 10.607 -1.635) 26.750 5.923 ( -14.296 -6.725 -2.097) 15.937 6.544 ( 1.411 2.069 2.330) 3.420 7.069 ( -21.345 -5.098 1.431) 21.992 7.473 ( -9.714 8.849 1.771) 13.259 9.290 ( -22.207 9.425 -0.059) 24.124 12.624 ( 1.744 -7.423 3.762) 8.502 13.533 ( 23.902 3.164 1.165) 24.138 14.289 ( 7.861 8.440 -7.413) 13.711 14.807 ( -7.635 0.201 1.009) 7.704 15.528 ( -1.861 -10.717 -2.147) 11.088 16.281 ( 6.082 -7.207 -0.643) 9.453======================= Grid point 518 (205/670) =======================q-point: (-0.05 0.37 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.698 ( -27.205 17.983 -2.588) 32.714 5.560 ( -20.828 -5.794 -3.237) 21.860 6.501 ( -17.833 2.149 3.544) 18.309 6.717 ( -6.173 -1.126 -0.786) 6.324 7.450 ( -7.112 8.965 3.481) 11.961 8.929 ( -33.193 13.305 1.845) 35.807 12.629 ( 6.035 -8.108 4.546) 11.083 13.981 ( 24.136 3.379 0.746) 24.383 14.441 ( 4.573 7.295 -8.660) 12.211 14.715 ( -4.412 1.113 1.200) 4.706 15.345 ( -5.063 -12.454 -2.405) 13.657 16.352 ( 12.008 -9.097 -1.752) 15.166======================= Grid point 527 (206/670) =======================q-point: ( 0.42 0.42 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.879 ( -0.000 24.641 -5.804) 25.316 5.296 ( -0.000 2.036 -2.664) 3.353 6.179 ( -0.000 33.952 2.930) 34.078 6.437 ( -0.000 3.704 -0.738) 3.777 7.317 ( 0.000 10.706 2.600) 11.017 8.920 ( -0.000 40.303 3.381) 40.444 12.254 ( 0.000 -12.973 1.508) 13.060 14.428 ( 0.000 -10.135 -0.509) 10.147 14.470 ( 0.000 -8.278 0.468) 8.291 15.029 ( -0.000 5.906 -0.102) 5.906 15.065 ( -0.000 1.110 -5.794) 5.899 16.443 ( 0.000 -16.803 -1.622) 16.881======================= Grid point 528 (207/670) =======================q-point: ( 0.47 0.42 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.056 ( -1.080 18.822 -4.833) 19.462 5.384 ( 8.672 2.169 -3.217) 9.500 6.452 ( -1.035 10.230 2.099) 10.494 6.583 ( 7.903 23.209 1.615) 24.571 7.410 ( -1.223 8.266 2.475) 8.715 9.307 ( 0.579 34.385 1.784) 34.436 12.175 ( 4.512 -12.029 1.993) 13.001 14.066 ( -18.185 -12.008 -0.547) 21.798 14.588 ( 10.365 -4.229 0.565) 11.209 14.952 ( -8.269 4.309 -3.619) 10.002 15.193 ( 8.249 1.705 -2.574) 8.808 16.291 ( 1.214 -14.407 -1.042) 14.496======================= Grid point 529 (208/670) =======================q-point: ( 0.53 0.42 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.204 ( 1.180 14.434 -2.394) 14.678 5.584 ( 13.921 1.542 -3.253) 14.378 6.511 ( -0.907 5.552 2.271) 6.067 6.996 ( 12.863 21.653 1.972) 25.263 7.446 ( -2.993 5.027 1.219) 5.976 9.588 ( -2.339 24.353 0.400) 24.468 12.192 ( 9.251 -9.699 2.166) 13.577 13.631 ( -18.765 -11.699 -0.263) 22.115 14.649 ( -3.413 -2.435 -2.313) 4.788 14.894 ( -0.981 8.510 -0.233) 8.570 15.316 ( 7.950 -3.357 -2.973) 9.128 16.217 ( 4.135 -8.957 -0.217) 9.868======================= Grid point 530 (209/670) =======================q-point: ( 0.58 0.42 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.359 ( 3.557 10.054 -1.023) 10.713 5.854 ( 17.149 1.607 -1.741) 17.312 6.543 ( -1.453 3.502 1.585) 4.110 7.340 ( -2.943 6.960 4.008) 8.554 7.511 ( 15.055 9.991 -2.007) 18.179 9.689 ( -7.260 12.809 -0.429) 14.730 12.314 ( 13.382 -5.832 1.782) 14.706 13.227 ( -16.411 -9.624 0.400) 19.029 14.440 ( -16.086 0.202 -3.389) 16.441 15.046 ( 5.341 9.661 1.768) 11.180 15.376 ( 6.774 -7.114 -3.040) 10.283 16.251 ( 6.338 -3.346 0.224) 7.171======================= Grid point 531 (210/670) =======================q-point: ( 0.63 0.42 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.505 ( 5.140 5.038 -0.248) 7.202 6.170 ( 18.083 2.263 -0.477) 18.230 6.540 ( -1.858 1.004 0.698) 2.224 7.229 ( -10.103 -0.529 0.865) 10.154 7.962 ( 23.590 8.120 0.211) 24.949 9.598 ( -12.221 3.537 -0.502) 12.733 12.533 ( 15.353 -0.693 0.420) 15.374 12.909 ( -11.375 -7.355 1.508) 13.629 14.124 ( -20.529 1.084 -2.440) 20.702 15.234 ( 5.135 8.571 1.510) 10.105 15.397 ( 5.093 -6.774 -2.086) 8.728 16.341 ( 5.790 -0.597 0.100) 5.822======================= Grid point 532 (211/670) =======================q-point: (-0.32 -0.58 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.619 ( 5.008 0.232 0.132) 5.015 6.479 ( 13.799 1.457 -1.142) 13.923 6.519 ( 1.688 -1.711 1.006) 2.605 7.036 ( -11.789 0.089 0.437) 11.798 8.424 ( 25.534 -0.162 0.252) 25.535 9.369 ( -16.234 0.715 0.059) 16.250 12.675 ( -7.234 2.916 -0.997) 7.863 12.852 ( 17.957 -4.418 1.950) 18.595 13.769 ( -21.917 1.840 -0.968) 22.016 15.356 ( 5.031 -5.141 -2.074) 7.486 15.427 ( 1.330 5.419 1.990) 5.924 16.415 ( 3.188 -0.333 -0.176) 3.210======================= Grid point 533 (212/670) =======================q-point: (-0.26 -0.58 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.671 ( 2.713 -3.098 0.234) 4.125 6.495 ( -0.258 -0.145 0.109) 0.315 6.645 ( 4.078 -12.010 -1.012) 12.724 6.935 ( -2.107 11.512 1.048) 11.750 8.717 ( 13.136 -19.745 -0.229) 23.717 9.172 ( -8.285 14.078 0.799) 16.355 12.614 ( -1.891 2.990 0.742) 3.615 13.121 ( 13.042 -5.362 -1.927) 14.232 13.467 ( -14.643 8.288 1.356) 16.880 15.324 ( 0.103 -6.749 -1.623) 6.943 15.514 ( 1.179 3.936 1.717) 4.453 16.432 ( -0.085 -1.626 -0.349) 1.665======================= Grid point 534 (213/670) =======================q-point: (-0.21 0.42 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.653 ( -1.331 -3.036 0.408) 3.340 6.462 ( -4.899 -8.664 0.875) 9.992 6.513 ( -1.221 -1.629 -1.081) 2.305 7.103 ( 5.301 9.592 0.477) 10.970 8.478 ( -11.346 -19.030 0.527) 22.162 9.370 ( 8.447 12.230 -0.074) 14.864 12.685 ( 5.307 5.018 1.140) 7.392 12.992 ( -10.890 -8.551 -0.232) 13.848 13.620 ( 11.522 12.771 -0.869) 17.222 15.229 ( -4.277 -4.296 -0.609) 6.092 15.542 ( 0.817 -2.422 0.528) 2.610 16.380 ( -2.719 -3.764 -0.340) 4.656======================= Grid point 535 (214/670) =======================q-point: (-0.16 0.42 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.568 ( -7.577 0.448 0.097) 7.590 6.263 ( -6.733 -9.127 -0.106) 11.342 6.512 ( -0.237 1.400 0.392) 1.473 7.255 ( 2.924 5.800 0.843) 6.550 8.080 ( -16.975 -11.880 0.772) 20.733 9.581 ( 3.129 9.373 -0.697) 9.906 12.738 ( -8.214 -9.271 1.962) 12.541 12.896 ( 12.052 7.244 0.699) 14.078 13.942 ( 11.911 12.254 -3.131) 17.374 15.098 ( -7.482 -1.753 0.289) 7.690 15.501 ( 0.993 -8.695 -0.862) 8.793 16.275 ( -3.405 -6.054 -0.192) 6.949======================= Grid point 536 (215/670) =======================q-point: (-0.11 0.42 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.412 ( -13.870 5.798 -1.073) 15.072 6.050 ( -9.513 -7.010 -1.370) 11.896 6.541 ( 1.521 1.638 2.121) 3.082 7.270 ( -6.788 -1.680 1.517) 7.155 7.740 ( -13.720 -0.176 0.944) 13.754 9.634 ( -7.785 9.720 -0.687) 12.472 12.560 ( -2.784 -9.654 3.039) 10.497 13.229 ( 18.020 7.952 0.525) 19.704 14.219 ( 8.865 10.983 -4.955) 14.959 14.953 ( -8.678 -0.144 1.077) 8.745 15.404 ( 0.791 -13.095 -2.222) 13.305 16.166 ( -0.802 -7.887 -0.127) 7.929======================= Grid point 537 (216/670) =======================q-point: (-0.05 0.42 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.225 ( -17.559 12.465 -2.460) 21.674 5.782 ( -14.523 -5.262 -2.803) 15.699 6.603 ( 2.205 1.844 3.194) 4.297 6.992 ( -19.922 -3.451 1.079) 20.248 7.643 ( -5.463 6.754 2.356) 9.000 9.504 ( -19.621 11.941 0.135) 22.970 12.481 ( 2.906 -9.387 3.800) 10.536 13.645 ( 21.406 8.045 0.154) 22.868 14.408 ( 4.782 7.671 -6.180) 10.950 14.823 ( -6.900 0.309 1.263) 7.022 15.257 ( -1.360 -14.249 -2.978) 14.620 16.115 ( 5.034 -8.921 -0.468) 10.254======================= Grid point 547 (217/670) =======================q-point: ( 0.47 0.47 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.204 ( -0.000 13.348 -5.571) 14.464 5.314 ( -0.000 1.444 -1.532) 2.105 6.539 ( 0.000 5.375 2.222) 5.816 6.754 ( -0.000 22.648 1.734) 22.714 7.506 ( 0.000 6.879 2.655) 7.374 9.626 ( -0.000 29.412 0.992) 29.428 12.029 ( 0.000 -11.215 2.244) 11.437 14.237 ( 0.000 -8.175 -0.733) 8.207 14.325 ( 0.000 -6.412 0.321) 6.420 15.065 ( -0.000 2.545 -5.314) 5.892 15.129 ( -0.000 4.221 -0.227) 4.227 16.139 ( 0.000 -12.914 -0.863) 12.942======================= Grid point 548 (218/670) =======================q-point: ( 0.53 0.47 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.296 ( 0.474 9.185 -2.153) 9.446 5.396 ( 8.104 0.966 -1.909) 8.382 6.587 ( -0.906 4.485 1.982) 4.986 7.008 ( 7.381 15.344 1.112) 17.064 7.549 ( -2.596 4.203 1.977) 5.322 9.855 ( -2.468 20.155 0.138) 20.306 11.982 ( 5.349 -8.710 2.256) 10.468 13.873 ( -20.455 -6.966 -0.399) 21.612 14.514 ( 13.691 -2.839 -0.173) 13.983 15.022 ( -4.769 4.630 -2.922) 7.261 15.193 ( 3.003 -0.064 -1.766) 3.484 16.060 ( 3.717 -8.347 -0.382) 9.146======================= Grid point 549 (219/670) =======================q-point: ( 0.58 0.47 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.384 ( 1.925 5.308 -0.678) 5.687 5.591 ( 14.254 0.972 -0.079) 14.288 6.604 ( -1.570 2.015 1.112) 2.786 7.305 ( 14.053 7.723 0.643) 16.048 7.508 ( -5.859 1.035 1.037) 6.039 9.920 ( -6.646 9.036 -0.402) 11.224 12.060 ( 10.703 -4.675 1.935) 11.839 13.471 ( -20.022 -4.201 -0.120) 20.458 14.610 ( -2.776 -0.061 -1.573) 3.191 15.050 ( 4.150 6.560 0.188) 7.764 15.208 ( 2.718 -4.416 -2.334) 5.686 16.100 ( 7.229 -3.022 -0.104) 7.836======================= Grid point 550 (220/670) =======================q-point: (-0.37 -0.53 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.458 ( 3.550 0.581 0.165) 3.601 5.878 ( 17.629 1.208 1.236) 17.713 6.580 ( -2.118 -0.875 0.125) 2.295 7.382 ( -7.811 -2.090 -0.714) 8.117 7.636 ( 19.127 1.056 1.451) 19.211 9.815 ( -10.306 0.270 -0.345) 10.315 12.258 ( 14.876 -0.795 1.306) 14.955 13.131 ( -17.463 -0.142 0.143) 17.464 14.441 ( -15.560 1.559 -1.410) 15.701 15.197 ( 5.124 -8.426 -2.624) 10.205 15.248 ( 7.080 9.087 2.027) 11.696 16.217 ( 7.798 -0.230 -0.296) 7.807======================= Grid point 551 (221/670) =======================q-point: (-0.32 -0.53 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.513 ( 4.900 -4.477 0.518) 6.658 6.188 ( 17.338 -0.725 1.178) 17.393 6.528 ( -1.664 -2.289 -0.488) 2.872 7.217 ( -8.994 -0.849 -0.319) 9.040 7.969 ( 22.977 -7.769 0.862) 24.270 9.607 ( -11.891 -2.704 0.273) 12.198 12.536 ( 16.916 0.405 0.740) 16.937 12.892 ( -13.358 5.415 -0.136) 14.414 14.147 ( -20.295 2.224 -0.179) 20.417 15.191 ( 5.247 -8.758 -2.289) 10.463 15.446 ( 4.878 7.842 2.360) 9.532 16.333 ( 5.755 0.037 -0.609) 5.788======================= Grid point 552 (222/670) =======================q-point: (-0.26 -0.53 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.538 ( 5.756 -8.954 0.325) 10.650 6.408 ( 10.994 -7.154 0.644) 13.133 6.493 ( 0.107 -1.050 -0.708) 1.271 7.101 ( -5.679 5.115 0.356) 7.651 8.226 ( 20.859 -18.616 0.276) 27.960 9.414 ( -8.833 1.700 1.076) 9.059 12.705 ( -0.975 -0.942 2.752) 3.068 12.897 ( 8.148 10.129 -3.826) 13.551 13.832 ( -19.594 4.251 1.760) 20.127 15.182 ( 4.802 -9.207 -2.040) 10.583 15.566 ( 0.443 5.346 2.433) 5.890 16.395 ( 2.289 -1.309 -0.805) 2.757======================= Grid point 553 (223/670) =======================q-point: (-0.21 -0.53 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.545 ( 6.273 -10.100 0.441) 11.898 6.401 ( 0.362 -12.039 0.896) 12.078 6.502 ( 1.149 0.536 -0.904) 1.557 7.147 ( 1.415 9.438 0.002) 9.544 8.262 ( 8.817 -25.572 0.241) 27.050 9.402 ( 1.721 7.431 1.103) 7.707 12.701 ( -0.390 3.128 2.709) 4.156 13.040 ( -1.434 2.016 -5.554) 6.081 13.687 ( -4.177 11.627 3.607) 12.871 15.157 ( 3.291 -8.683 -1.728) 9.445 15.577 ( -3.774 0.997 2.159) 4.460 16.376 ( -1.395 -3.480 -0.804) 3.834======================= Grid point 554 (224/670) =======================q-point: (-0.16 -0.53 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.559 ( 4.788 -7.151 0.887) 8.652 6.250 ( -3.597 -11.536 1.055) 12.130 6.527 ( 0.478 1.827 -0.943) 2.111 7.270 ( 2.593 6.562 -0.517) 7.074 8.081 ( -1.654 -20.848 0.667) 20.924 9.569 ( 7.450 7.137 0.322) 10.322 12.725 ( -0.926 -6.708 2.597) 7.253 12.946 ( -5.638 10.424 -3.345) 12.314 13.893 ( 8.443 14.204 1.339) 16.578 15.115 ( 1.164 -6.557 -1.262) 6.778 15.477 ( -6.413 -4.824 1.467) 8.157 16.280 ( -4.067 -5.762 -0.607) 7.079======================= Grid point 555 (225/670) =======================q-point: (-0.11 0.47 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.553 ( -0.808 -2.355 0.422) 2.525 6.090 ( -4.042 -8.436 0.575) 9.372 6.547 ( 0.230 2.028 -0.284) 2.061 7.321 ( -0.992 -0.735 -0.050) 1.235 7.866 ( -5.199 -9.015 0.601) 10.424 9.742 ( 4.023 6.641 -0.228) 7.768 12.550 ( -6.323 -9.983 1.023) 11.861 13.113 ( 8.059 14.491 -0.285) 16.583 14.176 ( 8.490 12.366 -0.686) 15.016 15.060 ( -2.355 -2.410 -0.185) 3.374 15.292 ( -5.493 -11.706 -0.038) 12.931 16.137 ( -4.479 -7.502 -0.285) 8.742======================= Grid point 556 (226/670) =======================q-point: (-0.05 0.47 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.488 ( -6.143 2.065 -0.804) 6.531 5.936 ( -8.241 -3.203 -1.696) 9.003 6.585 ( 2.190 1.444 1.824) 3.195 7.198 ( -9.142 -5.725 0.560) 10.801 7.768 ( -3.064 1.773 0.792) 3.627 9.809 ( -4.761 7.844 -0.168) 9.177 12.388 ( -1.840 -8.978 1.532) 9.292 13.446 ( 14.329 14.005 -0.076) 20.037 14.389 ( 4.853 8.138 -2.242) 9.737 14.958 ( -9.007 -1.438 1.900) 9.317 15.112 ( 0.897 -13.359 -2.667) 13.652 16.003 ( -1.532 -8.149 -0.002) 8.292======================= Grid point 567 (227/670) =======================q-point: ( 0.53 0.53 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.331 ( -0.000 0.815 -0.011) 0.815 5.357 ( -0.000 5.342 -0.695) 5.387 6.633 ( 0.000 1.992 1.277) 2.366 7.060 ( -0.000 7.665 0.289) 7.670 7.610 ( 0.000 1.881 1.580) 2.456 10.034 ( -0.000 11.166 -0.358) 11.171 11.872 ( 0.000 -5.598 2.132) 5.990 14.123 ( -0.000 -2.672 -0.746) 2.774 14.239 ( 0.000 -2.479 0.412) 2.513 15.083 ( -0.000 2.339 -3.380) 4.110 15.184 ( -0.000 1.543 -0.612) 1.660 15.956 ( 0.000 -4.846 -0.232) 4.851======================= Grid point 568 (228/670) =======================q-point: (-0.42 -0.47 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.380 ( 2.615 -0.068 -0.841) 2.747 5.429 ( 6.015 2.739 3.554) 7.505 6.633 ( -0.859 -1.071 0.362) 1.420 7.156 ( 7.241 -0.700 -0.493) 7.291 7.592 ( -3.011 -0.909 0.952) 3.286 10.055 ( -3.693 -0.085 -0.737) 3.767 11.896 ( 5.820 -0.982 1.795) 6.169 13.804 ( -21.294 0.260 -0.111) 21.296 14.487 ( 14.950 0.162 -0.053) 14.951 15.067 ( -2.453 1.122 -2.235) 3.503 15.186 ( -0.180 0.915 -0.542) 1.078 15.976 ( 4.868 0.099 -0.116) 4.870======================= Grid point 569 (229/670) =======================q-point: (-0.37 -0.47 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.398 ( 1.971 -3.636 0.755) 4.204 5.635 ( 13.411 1.628 3.990) 14.086 6.587 ( -1.515 -3.946 -0.617) 4.271 7.270 ( 11.267 -9.355 -2.314) 14.826 7.522 ( -2.673 -1.874 2.015) 3.836 9.917 ( -6.353 -9.022 -0.687) 11.055 12.053 ( 10.687 2.916 1.304) 11.154 13.474 ( -20.173 4.484 0.115) 20.666 14.623 ( -1.940 1.862 -0.334) 2.709 15.025 ( 1.981 -6.023 -2.080) 6.673 15.247 ( 4.243 6.347 1.159) 7.723 16.097 ( 6.990 2.957 -0.408) 7.601======================= Grid point 570 (230/670) =======================q-point: (-0.32 -0.47 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.379 ( 2.931 -9.467 0.995) 9.960 5.911 ( 15.867 -0.095 3.462) 16.240 6.514 ( -1.127 -4.654 -1.174) 4.930 7.270 ( 0.661 -8.436 -2.597) 8.851 7.559 ( 12.328 -9.645 2.536) 15.857 9.692 ( -6.592 -12.746 -0.167) 14.351 12.303 ( 13.540 4.541 0.758) 14.301 13.225 ( -17.140 9.483 0.135) 19.589 14.478 ( -15.596 2.524 0.248) 15.801 15.006 ( 5.011 -9.109 -1.982) 10.583 15.431 ( 6.955 7.551 2.127) 10.484 16.240 ( 6.045 3.247 -0.782) 6.906======================= Grid point 571 (231/670) =======================q-point: (-0.26 -0.47 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.324 ( 5.077 -15.475 0.179) 16.288 6.153 ( 13.012 -4.510 2.223) 13.949 6.469 ( 0.482 -2.330 -0.879) 2.537 7.192 ( -1.774 -1.524 -0.681) 2.436 7.692 ( 18.632 -20.325 1.207) 27.599 9.481 ( -3.731 -11.054 0.566) 11.681 12.568 ( 11.811 2.772 0.422) 12.140 13.100 ( -11.091 15.449 -0.603) 19.027 14.203 ( -19.213 2.786 1.612) 19.481 14.998 ( 5.254 -9.209 -1.800) 10.754 15.596 ( 3.537 5.275 2.420) 6.796 16.342 ( 3.101 1.832 -0.998) 3.737======================= Grid point 572 (232/670) =======================q-point: (-0.21 -0.47 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.274 ( 8.982 -17.804 -0.179) 19.942 6.243 ( 5.456 -10.656 1.601) 12.079 6.479 ( 1.837 0.583 -0.632) 2.029 7.202 ( 1.125 4.786 -0.576) 4.950 7.770 ( 17.305 -27.355 0.776) 32.379 9.385 ( 2.705 -6.363 1.009) 6.987 12.709 ( 2.953 0.433 0.848) 3.103 13.150 ( -3.700 17.676 -3.409) 18.378 13.953 ( -14.123 5.845 4.231) 15.860 14.989 ( 4.895 -9.023 -1.654) 10.397 15.654 ( -1.917 1.638 2.499) 3.550 16.366 ( -0.737 -0.471 -1.003) 1.331======================= Grid point 573 (233/670) =======================q-point: (-0.16 -0.47 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.296 ( 12.766 -15.224 0.668) 19.880 6.167 ( -0.143 -13.253 1.903) 13.389 6.524 ( 1.717 2.289 -1.216) 3.109 7.279 ( 2.135 3.308 -1.804) 4.331 7.760 ( 12.309 -24.889 0.943) 27.782 9.454 ( 9.777 -3.057 0.807) 10.275 12.712 ( -1.904 -2.426 0.249) 3.095 13.190 ( -8.994 16.088 -4.166) 18.897 13.949 ( 1.264 11.716 5.693) 13.088 14.976 ( 4.425 -8.392 -1.561) 9.615 15.579 ( -7.395 -2.566 2.459) 8.205 16.302 ( -4.335 -2.908 -0.813) 5.283======================= Grid point 574 (234/670) =======================q-point: (-0.11 -0.47 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.398 ( 12.269 -9.705 1.533) 15.718 6.031 ( -0.927 -12.453 2.165) 12.674 6.563 ( 0.480 2.889 -2.127) 3.619 7.287 ( 1.248 -6.693 -1.658) 7.007 7.744 ( 7.010 -11.371 0.208) 13.360 9.628 ( 12.407 -1.673 0.347) 12.524 12.584 ( -7.205 -6.370 -1.359) 9.713 13.237 ( -3.022 19.164 -1.150) 19.435 14.172 ( 6.804 12.157 4.091) 14.520 14.967 ( 4.229 -7.335 -1.585) 8.614 15.380 ( -11.548 -6.390 2.401) 13.415 16.167 ( -6.562 -4.748 -0.459) 8.112======================= Grid point 587 (235/670) =======================q-point: (-0.42 -0.42 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.345 ( 0.000 0.127 1.298) 1.304 5.416 ( 0.000 -1.062 4.839) 4.954 6.615 ( 0.000 -4.000 -0.450) 4.025 7.047 ( 0.000 -8.783 -0.979) 8.837 7.594 ( 0.000 -3.925 0.144) 3.927 10.026 ( 0.000 -11.540 -1.142) 11.597 11.866 ( 0.000 3.746 1.540) 4.050 14.128 ( -0.000 3.504 -0.274) 3.515 14.240 ( 0.000 2.269 0.547) 2.334 15.106 ( -0.000 1.561 -1.179) 1.956 15.179 ( -0.000 -1.383 -1.007) 1.711 15.960 ( -0.000 5.267 0.055) 5.268======================= Grid point 588 (236/670) =======================q-point: (-0.37 -0.42 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.340 ( -0.314 -5.055 2.028) 5.456 5.480 ( 8.024 -1.405 5.869) 10.040 6.555 ( -0.988 -5.831 -1.135) 6.022 6.980 ( 7.061 -16.134 -1.478) 17.674 7.529 ( -1.749 -5.716 0.132) 5.979 9.839 ( -2.152 -20.717 -1.294) 20.869 11.972 ( 5.307 7.223 1.261) 9.052 13.881 ( -20.481 7.337 0.309) 21.758 14.517 ( 13.787 2.671 0.056) 14.043 15.040 ( -6.253 -2.156 -1.061) 6.699 15.215 ( 4.654 1.435 0.118) 4.871 16.063 ( 3.328 8.796 -0.144) 9.406======================= Grid point 589 (237/670) =======================q-point: (-0.32 -0.42 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.248 ( -0.449 -13.622 1.805) 13.748 5.672 ( 13.357 -1.715 4.863) 14.318 6.475 ( -0.839 -5.521 -1.177) 5.707 6.961 ( 12.241 -20.389 -1.266) 23.815 7.441 ( -1.245 -6.964 0.705) 7.110 9.573 ( -1.553 -25.156 -1.073) 25.226 12.179 ( 9.122 8.646 0.971) 12.606 13.640 ( -19.047 12.041 0.536) 22.541 14.669 ( -0.175 2.627 -0.109) 2.635 14.888 ( -4.498 -6.508 -0.998) 7.974 15.362 ( 8.758 3.835 1.312) 9.651 16.215 ( 3.562 9.585 -0.480) 10.236======================= Grid point 590 (238/670) =======================q-point: (-0.26 -0.42 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.084 ( 1.657 -21.509 -0.129) 21.574 5.893 ( 13.677 -4.747 3.145) 14.815 6.430 ( 0.943 -2.930 -0.227) 3.086 6.989 ( 14.749 -19.603 0.266) 24.533 7.362 ( 1.439 -10.012 0.550) 10.129 9.321 ( 1.802 -24.870 -0.618) 24.943 12.433 ( 10.281 8.023 0.514) 13.051 13.488 ( -15.531 16.700 0.650) 22.815 14.532 ( -16.063 2.231 0.862) 16.240 14.826 ( 4.356 -7.762 -1.397) 9.010 15.549 ( 7.835 2.626 1.843) 8.467 16.347 ( 1.386 8.495 -0.605) 8.629======================= Grid point 591 (239/670) =======================q-point: (-0.21 -0.42 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.921 ( 7.294 -24.829 -1.342) 25.913 6.024 ( 8.969 -10.569 1.872) 13.988 6.447 ( 2.616 -0.145 0.407) 2.652 7.094 ( 16.937 -14.189 1.786) 22.167 7.289 ( 3.812 -14.624 -0.655) 15.127 9.168 ( 7.406 -21.367 -0.222) 22.615 12.650 ( 6.499 5.389 -0.286) 8.448 13.457 ( -9.898 20.709 0.107) 22.953 14.271 ( -16.615 2.548 2.612) 17.011 14.824 ( 4.297 -7.077 -1.414) 8.400 15.662 ( 3.122 -0.590 2.045) 3.779 16.411 ( -2.247 6.257 -0.482) 6.666======================= Grid point 592 (240/670) =======================q-point: (-0.16 -0.42 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.871 ( 15.064 -22.499 -0.569) 27.082 6.007 ( 3.764 -15.198 2.125) 15.801 6.505 ( 2.876 1.855 -0.253) 3.431 7.192 ( 7.903 -23.938 -0.789) 25.221 7.286 ( 13.998 -3.177 0.353) 14.358 9.161 ( 13.893 -17.135 -0.113) 22.059 12.732 ( -0.768 1.975 -1.366) 2.521 13.519 ( -8.956 21.656 -2.159) 23.535 14.111 ( -7.056 6.497 6.300) 11.476 14.822 ( 4.026 -6.804 -1.392) 8.027 15.649 ( -2.880 -4.080 2.228) 5.469 16.386 ( -6.160 3.493 -0.225) 7.085======================= Grid point 593 (241/670) =======================q-point: (-0.11 -0.42 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.989 ( 20.754 -16.411 1.357) 26.493 5.899 ( 1.384 -16.222 2.637) 16.493 6.566 ( 1.858 2.633 -1.819) 3.700 7.083 ( 6.764 -22.187 -1.295) 23.231 7.488 ( 12.573 -2.421 -0.992) 12.842 9.290 ( 18.867 -13.779 -0.191) 23.363 12.659 ( -6.944 -1.416 -2.850) 7.638 13.549 ( -9.823 21.835 -1.904) 24.018 14.210 ( 3.965 10.092 7.665) 13.279 14.820 ( 4.034 -6.399 -1.432) 7.699 15.504 ( -8.672 -7.045 2.525) 11.455 16.277 ( -9.118 1.080 0.091) 9.183======================= Grid point 607 (242/670) =======================q-point: (-0.37 -0.37 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.341 ( 0.000 -12.500 7.162) 14.407 5.351 ( 0.000 -0.792 1.866) 2.027 6.508 ( 0.000 -4.765 -0.704) 4.817 6.717 ( 0.000 -23.551 -1.658) 23.609 7.475 ( 0.000 -7.892 -0.222) 7.895 9.596 ( 0.000 -30.529 -1.821) 30.583 12.019 ( -0.000 10.195 1.279) 10.275 14.247 ( -0.000 8.394 0.114) 8.395 14.328 ( -0.000 6.044 0.546) 6.069 15.119 ( -0.000 -3.896 -1.198) 4.076 15.125 ( 0.000 0.545 0.504) 0.742 16.149 ( -0.000 13.552 -0.039) 13.552======================= Grid point 608 (243/670) =======================q-point: (-0.32 -0.37 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.144 ( -4.384 -19.009 3.231) 19.774 5.456 ( 10.372 -3.897 3.480) 11.613 6.426 ( -1.012 -11.530 -0.351) 11.580 6.565 ( 8.236 -18.842 0.013) 20.564 7.383 ( -0.780 -9.102 0.037) 9.135 9.265 ( 1.118 -36.117 -2.088) 36.194 12.168 ( 4.372 11.454 1.330) 12.332 14.081 ( -17.944 12.356 0.728) 21.799 14.578 ( 9.622 3.296 -0.364) 10.178 14.983 ( -7.841 -2.907 -0.421) 8.374 15.229 ( 8.582 -0.321 0.614) 8.610 16.302 ( 0.894 15.321 -0.156) 15.348======================= Grid point 609 (244/670) =======================q-point: (-0.26 -0.37 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.856 ( -2.864 -27.305 -0.505) 27.459 5.622 ( 13.002 -6.294 2.185) 14.609 6.311 ( 6.732 -19.407 0.643) 20.552 6.580 ( 8.213 -9.535 3.053) 12.950 7.279 ( -0.577 -9.626 -0.064) 9.644 8.948 ( 5.265 -37.217 -2.160) 37.649 12.384 ( 7.061 11.308 1.199) 13.386 13.930 ( -16.696 16.350 1.289) 23.403 14.688 ( 4.040 -1.891 -1.139) 4.604 14.793 ( -12.120 -1.040 -0.176) 12.166 15.402 ( 10.826 -0.636 1.190) 10.910 16.456 ( -0.499 14.917 -0.077) 14.926======================= Grid point 610 (245/670) =======================q-point: (-0.21 -0.37 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.553 ( 2.822 -31.038 -2.930) 31.304 5.745 ( 11.214 -13.225 0.558) 17.348 6.299 ( 12.062 -16.631 2.143) 20.656 6.661 ( 9.591 -8.316 5.085) 13.675 7.185 ( 0.571 -8.423 -1.156) 8.521 8.727 ( 11.439 -34.809 -2.206) 36.707 12.612 ( 6.542 9.720 0.470) 11.726 13.855 ( -13.051 19.127 2.029) 23.245 14.555 ( -13.949 -0.735 0.429) 13.975 14.713 ( 1.765 -2.010 -1.513) 3.074 15.551 ( 7.961 -3.375 1.335) 8.750 16.560 ( -3.740 13.118 0.326) 13.645======================= Grid point 611 (246/670) =======================q-point: (-0.16 -0.37 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.373 ( 12.821 -29.053 -2.641) 31.866 5.744 ( 8.427 -20.431 1.172) 22.131 6.383 ( 12.150 -11.401 1.159) 16.702 6.745 ( 9.009 -12.693 4.960) 16.336 7.158 ( 5.052 -3.382 -2.381) 6.529 8.650 ( 18.242 -30.617 -2.278) 35.712 12.764 ( 1.362 6.548 -1.130) 6.783 13.879 ( -8.546 21.095 1.928) 22.842 14.340 ( -12.101 3.129 2.492) 12.745 14.713 ( 2.019 -3.298 -1.432) 4.124 15.601 ( 2.951 -6.518 1.420) 7.294 16.579 ( -8.007 10.442 0.882) 13.188======================= Grid point 612 (247/670) =======================q-point: (-0.11 -0.37 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.422 ( 23.320 -22.580 -0.166) 32.461 5.663 ( 6.533 -22.390 2.615) 23.470 6.464 ( 10.384 -11.585 -1.601) 15.639 6.743 ( 4.692 -12.243 2.850) 13.418 7.277 ( 10.999 -0.764 -2.592) 11.326 8.726 ( 24.224 -26.220 -2.235) 35.767 12.764 ( -5.709 2.851 -3.056) 7.075 13.942 ( -10.558 22.361 -0.954) 24.747 14.289 ( -0.713 6.795 7.657) 10.262 14.710 ( 2.319 -3.703 -1.405) 4.589 15.531 ( -2.907 -8.993 1.738) 9.610 16.502 ( -11.843 7.686 1.385) 14.186======================= Grid point 627 (248/670) =======================q-point: (-0.32 -0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.980 ( 0.000 -28.327 3.462) 28.538 5.326 ( 0.000 -3.358 0.079) 3.359 6.143 ( 0.000 -33.131 -0.303) 33.132 6.484 ( 0.000 1.699 3.620) 3.999 7.291 ( 0.000 -11.123 0.231) 11.125 8.852 ( 0.000 -43.192 -3.003) 43.297 12.257 ( -0.000 12.813 1.723) 12.928 14.439 ( -0.000 10.601 0.371) 10.608 14.468 ( -0.000 7.592 0.299) 7.598 15.020 ( 0.000 -5.206 -1.011) 5.303 15.132 ( 0.000 -0.315 0.691) 0.760 16.461 ( -0.000 17.919 -0.087) 17.919======================= Grid point 628 (249/670) =======================q-point: (-0.26 -0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.631 ( -4.902 -33.390 -0.728) 33.756 5.354 ( 9.351 -10.188 -2.417) 14.038 5.891 ( 7.688 -30.981 3.241) 32.085 6.537 ( 0.931 3.429 6.325) 7.254 7.175 ( 0.165 -12.614 0.353) 12.620 8.440 ( 4.733 -45.599 -3.919) 46.011 12.421 ( 3.433 13.084 1.945) 13.666 14.351 ( -14.160 14.034 1.441) 19.988 14.620 ( 2.581 0.828 -0.541) 2.764 14.935 ( -5.024 -0.820 -1.553) 5.322 15.212 ( 9.198 -1.902 0.858) 9.432 16.633 ( -0.824 18.094 0.107) 18.113======================= Grid point 629 (250/670) =======================q-point: (-0.21 -0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.209 ( -2.326 -36.194 -4.449) 36.541 5.363 ( 12.636 -24.735 -4.154) 28.084 5.850 ( 14.303 -19.761 6.549) 25.258 6.615 ( 1.194 3.080 8.242) 8.879 7.065 ( 1.609 -12.419 -0.351) 12.528 8.123 ( 11.815 -43.926 -4.984) 45.760 12.626 ( 4.878 12.327 1.612) 13.355 14.259 ( -13.788 14.485 3.221) 20.256 14.618 ( -0.419 -2.256 -0.387) 2.327 14.818 ( -8.962 3.220 -3.393) 10.109 15.360 ( 10.062 -4.207 1.109) 10.963 16.772 ( -3.313 16.779 0.683) 17.117======================= Grid point 630 (251/670) =======================q-point: (-0.16 -0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.875 ( 7.346 -34.723 -5.195) 35.870 5.293 ( 14.499 -33.010 -1.580) 36.088 5.972 ( 15.646 -14.512 4.746) 21.862 6.680 ( 0.550 0.334 8.832) 8.856 7.007 ( 5.165 -8.942 -1.923) 10.504 7.961 ( 19.693 -39.756 -5.934) 44.762 12.809 ( 2.557 10.103 0.217) 10.423 14.208 ( -8.906 12.260 5.804) 16.227 14.561 ( -7.680 4.545 -1.350) 9.026 14.707 ( -4.662 1.869 -3.233) 5.973 15.451 ( 6.706 -7.203 0.959) 9.888 16.840 ( -7.384 14.477 1.516) 16.322======================= Grid point 631 (252/670) =======================q-point: (-0.11 -0.32 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.789 ( 21.109 -28.217 -2.670) 35.340 5.215 ( 15.244 -34.151 1.387) 37.425 6.080 ( 12.750 -15.648 0.907) 20.205 6.701 ( -0.063 -1.346 7.444) 7.565 7.065 ( 10.100 -4.651 -2.912) 11.494 7.971 ( 26.909 -35.049 -6.236) 44.625 12.880 ( -3.726 6.445 -2.089) 7.732 14.253 ( -2.630 11.807 7.652) 14.314 14.468 ( -10.428 11.596 -1.775) 15.696 14.667 ( -0.559 -0.590 -1.725) 1.906 15.449 ( 2.122 -9.352 0.948) 9.636 16.811 ( -12.013 11.812 2.338) 17.009======================= Grid point 647 (253/670) =======================q-point: (-0.26 -0.26 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.329 ( 0.000 -37.906 -1.605) 37.940 5.079 ( -0.000 -25.464 -9.876) 27.312 5.592 ( 0.000 -18.984 8.706) 20.885 6.598 ( 0.000 3.975 9.662) 10.448 7.032 ( 0.000 -16.697 1.142) 16.736 7.918 ( 0.000 -47.559 -6.339) 47.980 12.532 ( -0.000 13.835 2.491) 14.058 14.600 ( -0.000 4.823 -0.453) 4.844 14.643 ( -0.000 9.214 1.463) 9.330 14.926 ( 0.000 -2.773 -0.129) 2.776 15.123 ( -0.000 -0.157 -1.546) 1.554 16.822 ( -0.000 18.616 0.267) 18.618======================= Grid point 648 (254/670) =======================q-point: (-0.21 -0.26 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.888 ( -4.745 -39.770 -5.046) 40.369 4.823 ( 10.557 -37.636 -8.930) 40.096 5.558 ( 7.230 -9.626 8.904) 14.973 6.661 ( 0.692 -1.373 13.040) 13.130 6.874 ( 2.648 -20.145 1.643) 20.384 7.508 ( 6.371 -40.554 -10.031) 42.259 12.699 ( 2.422 13.756 2.544) 14.197 14.574 ( -8.965 -1.036 2.525) 9.371 14.648 ( -3.023 10.333 0.539) 10.779 14.934 ( -2.264 2.283 -3.821) 4.994 15.173 ( 7.082 -1.980 -0.356) 7.362 16.988 ( -1.755 17.603 0.794) 17.708======================= Grid point 649 (255/670) =======================q-point: (-0.16 -0.26 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.428 ( 0.426 -38.941 -7.443) 39.649 4.643 ( 16.468 -41.567 -4.536) 44.939 5.661 ( 10.965 -8.276 6.825) 15.340 6.674 ( 5.802 -16.166 14.445) 22.443 6.764 ( 5.363 -17.011 1.179) 17.875 7.289 ( 10.803 -26.047 -13.175) 31.125 12.880 ( 2.322 12.501 1.645) 12.821 14.427 ( -7.627 -0.921 5.634) 9.527 14.703 ( -3.403 10.743 0.184) 11.270 14.854 ( -7.606 4.386 -6.553) 10.955 15.266 ( 7.218 -5.503 0.357) 9.083 17.100 ( -4.942 15.709 1.681) 16.554======================= Grid point 650 (256/670) =======================q-point: (-0.11 -0.26 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.167 ( 14.841 -33.264 -5.741) 36.874 4.534 ( 19.907 -42.138 -0.545) 46.607 5.777 ( 10.157 -9.756 3.605) 14.538 6.661 ( 6.381 -17.145 14.137) 23.120 6.753 ( 15.573 -19.627 -1.538) 25.102 7.250 ( 13.265 -15.817 -13.584) 24.711 13.000 ( -1.898 9.520 -0.512) 9.721 14.367 ( -1.962 1.303 8.346) 8.672 14.707 ( -4.221 1.926 -2.270) 5.165 14.773 ( -9.066 14.502 -3.994) 17.563 15.303 ( 4.799 -7.958 0.070) 9.294 17.129 ( -9.530 13.345 2.619) 16.606======================= Grid point 667 (257/670) =======================q-point: (-0.21 -0.21 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.524 ( 0.000 -41.400 -5.498) 41.763 4.293 ( -0.000 -42.283 -11.284) 43.763 5.455 ( 0.000 -6.167 8.552) 10.544 6.447 ( 0.000 -46.205 9.399) 47.152 6.739 ( 0.000 -9.319 9.661) 13.423 7.150 ( -0.000 -12.310 -13.406) 18.201 12.826 ( -0.000 14.377 2.989) 14.685 14.601 ( -0.000 -3.691 -1.299) 3.913 14.799 ( 0.000 4.191 4.740) 6.327 14.959 ( -0.000 5.423 1.008) 5.516 15.109 ( -0.000 1.781 -6.809) 7.038 17.173 ( -0.000 16.688 1.127) 16.726======================= Grid point 668 (258/670) =======================q-point: (-0.16 -0.21 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.047 ( -4.183 -41.106 -8.359) 42.155 3.949 ( 12.479 -44.057 -8.432) 46.560 5.477 ( 5.657 -5.966 7.442) 11.090 6.058 ( 13.315 -56.868 5.648) 58.678 6.636 ( 0.576 -16.724 5.953) 17.761 7.109 ( 0.410 5.449 -7.452) 9.241 12.988 ( 1.096 14.045 2.627) 14.331 14.507 ( -4.400 -4.849 1.497) 6.717 14.861 ( 0.044 6.804 4.255) 8.025 14.953 ( -5.271 2.233 -3.800) 6.871 15.148 ( 3.338 1.812 -4.539) 5.919 17.316 ( -2.146 14.977 1.847) 15.242======================= Grid point 669 (259/670) =======================q-point: (-0.11 -0.21 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.622 ( 5.620 -37.244 -8.761) 38.671 3.768 ( 19.079 -44.572 -3.266) 48.594 5.552 ( 8.639 -9.446 6.298) 14.266 5.871 ( 26.325 -52.572 1.063) 58.804 6.522 ( 4.096 -15.877 3.242) 16.714 7.156 ( -0.894 7.913 -5.049) 9.429 13.130 ( -1.000 12.103 1.008) 12.186 14.420 ( -2.190 -2.402 5.065) 6.018 14.822 ( -7.989 1.748 -3.898) 9.060 14.967 ( 0.594 7.329 2.011) 7.623 15.178 ( 1.360 -0.900 -4.054) 4.370 17.396 ( -5.712 12.954 2.631) 14.400======================= Grid point 687 (260/670) =======================q-point: (-0.16 -0.16 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.667 ( 0.000 -41.096 -8.563) 41.979 3.362 ( -0.000 -44.349 -11.613) 45.844 5.347 ( 0.000 -64.947 4.549) 65.106 5.405 ( 0.000 -4.743 6.781) 8.275 6.464 ( 0.000 -19.131 2.518) 19.296 7.181 ( -0.000 10.308 -1.973) 10.495 13.131 ( -0.000 14.766 2.914) 15.051 14.491 ( 0.000 -5.857 -1.134) 5.965 14.870 ( 0.000 -1.094 8.080) 8.154 15.095 ( -0.000 3.008 -12.063) 12.433 15.101 ( -0.000 7.490 1.177) 7.582 17.478 ( -0.000 13.225 2.355) 13.434======================= Grid point 688 (261/670) =======================q-point: (-0.11 -0.16 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.196 ( -2.625 -39.071 -10.587) 40.565 3.028 ( 14.308 -44.167 -7.886) 47.092 4.875 ( 18.054 -64.085 2.945) 66.644 5.427 ( 5.046 -5.021 4.705) 8.533 6.303 ( 2.529 -18.380 1.382) 18.604 7.266 ( -1.661 10.156 -1.020) 10.342 13.279 ( -0.864 14.095 2.085) 14.274 14.423 ( -0.742 -4.551 0.980) 4.714 14.911 ( 1.468 -3.548 6.692) 7.715 14.986 ( -5.866 3.340 -7.447) 10.051 15.206 ( 0.728 6.803 -3.650) 7.754 17.590 ( -2.190 11.314 2.919) 11.888======================= Grid point 707 (262/670) =======================q-point: (-0.11 -0.11 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.827 ( -0.000 -37.880 -10.786) 39.386 2.427 ( -0.000 -43.024 -12.020) 44.672 4.068 ( 0.000 -68.703 3.674) 68.801 5.359 ( 0.000 -4.203 4.904) 6.459 6.102 ( 0.000 -18.489 0.548) 18.497 7.378 ( -0.000 9.846 -0.486) 9.858 13.440 ( -0.000 15.075 2.397) 15.264 14.374 ( 0.000 -5.290 -0.865) 5.360 14.887 ( 0.000 -2.452 7.938) 8.308 15.041 ( -0.000 -0.010 -12.961) 12.961 15.251 ( -0.000 6.872 1.154) 6.969 17.717 ( 0.000 9.252 3.493) 9.889======================= Grid point 768 (263/670) =======================q-point: ( 0.11 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 670Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.628 ( 0.000 -0.000 29.615) 29.615 0.628 ( 0.000 -0.000 29.615) 29.615 1.060 ( 0.000 -0.000 50.100) 50.100 5.204 ( -0.000 0.000 -3.947) 3.947 5.204 ( -0.000 0.000 -3.947) 3.947 9.034 ( -0.000 0.000 -8.267) 8.267 14.204 ( 0.000 -0.000 0.357) 0.357 14.204 ( 0.000 -0.000 0.357) 0.357 14.940 ( 0.000 -0.000 3.554) 3.554 15.483 ( 0.000 0.000 -0.090) 0.090 15.483 ( 0.000 0.000 -0.090) 0.090 16.161 ( -0.000 0.000 -1.323) 1.323======================= Grid point 769 (264/670) =======================q-point: ( 0.16 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.849 ( 19.548 11.286 17.809) 28.751 1.025 ( 8.113 4.684 34.415) 35.668 1.825 ( 48.360 27.921 25.989) 61.593 5.234 ( 2.883 1.664 -3.510) 4.837 5.378 ( 12.580 7.263 -8.769) 16.968 8.124 ( -33.976 -19.616 19.763) 43.929 14.076 ( -10.850 -6.264 1.338) 12.600 14.219 ( 1.472 0.850 0.205) 1.712 14.639 ( -8.208 -4.739 -1.005) 9.531 15.144 ( 1.338 0.773 13.338) 13.427 15.467 ( -1.899 -1.096 0.273) 2.209 17.425 ( 30.515 17.618 -30.717) 46.745======================= Grid point 770 (265/670) =======================q-point: ( 0.21 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.384 ( 15.559 8.983 26.564) 32.069 1.476 ( 30.586 17.659 8.453) 36.315 3.068 ( 54.198 31.291 13.096) 63.938 5.307 ( 4.578 2.643 -2.923) 6.040 5.663 ( 15.330 8.851 -6.253) 18.773 7.688 ( -13.582 -7.841 7.576) 17.417 13.808 ( -12.526 -7.232 1.697) 14.563 14.271 ( 3.080 1.778 0.118) 3.559 14.532 ( -1.994 -1.151 -9.033) 9.322 15.252 ( 2.904 1.677 12.509) 12.950 15.400 ( -4.085 -2.358 0.474) 4.740 17.659 ( 3.257 1.880 -15.116) 15.577======================= Grid point 771 (266/670) =======================q-point: ( 0.26 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.914 ( 24.750 14.289 15.922) 32.715 2.248 ( 35.613 20.561 4.740) 41.395 4.311 ( 53.089 30.651 4.318) 61.453 5.417 ( 5.891 3.401 -2.240) 7.162 6.022 ( 17.865 10.314 -3.006) 20.847 7.480 ( -7.220 -4.169 4.006) 9.250 13.540 ( -11.758 -6.789 1.862) 13.704 14.357 ( 4.432 2.559 0.157) 5.121 14.466 ( -0.723 -0.417 -11.452) 11.483 15.289 ( -5.864 -3.385 0.451) 6.786 15.324 ( -0.539 -0.311 10.973) 10.991 17.571 ( -6.479 -3.741 -9.418) 12.028======================= Grid point 772 (267/670) =======================q-point: ( 0.32 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.585 ( 30.777 17.769 7.667) 36.356 3.089 ( 37.526 21.666 2.885) 43.427 5.447 ( 46.772 27.004 -5.295) 54.266 5.556 ( 7.123 4.112 -1.471) 8.355 6.439 ( 19.505 11.261 1.640) 22.581 7.395 ( -1.198 -0.692 6.042) 6.199 13.294 ( -10.841 -6.259 2.138) 12.700 14.422 ( 0.365 0.211 -11.636) 11.644 14.468 ( 5.287 3.052 0.398) 6.118 15.144 ( -7.059 -4.075 0.164) 8.153 15.292 ( -5.338 -3.082 8.135) 10.206 17.326 ( -12.355 -7.133 -6.920) 15.856======================= Grid point 773 (268/670) =======================q-point: ( 0.37 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.327 ( 33.269 19.208 1.944) 38.465 3.925 ( 35.328 20.396 1.451) 40.819 5.733 ( 9.256 5.344 -0.513) 10.701 6.267 ( 26.513 15.308 -13.000) 33.261 6.922 ( 21.622 12.483 4.316) 25.337 7.538 ( 14.088 8.134 10.879) 19.570 13.065 ( -10.274 -5.932 2.380) 12.100 14.400 ( 0.907 0.524 -9.977) 10.032 14.590 ( 5.107 2.948 0.983) 5.978 14.980 ( -7.263 -4.193 -0.484) 8.400 15.142 ( -9.680 -5.589 3.871) 11.829 16.988 ( -15.475 -8.934 -4.907) 18.530======================= Grid point 774 (269/670) =======================q-point: ( 0.42 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.074 ( 32.765 18.917 -2.011) 37.888 4.641 ( 27.092 15.641 -0.121) 31.283 5.988 ( 13.871 8.008 0.728) 16.033 6.592 ( 8.609 4.971 -7.522) 12.466 7.328 ( 13.653 7.883 2.034) 15.896 8.144 ( 32.948 19.022 8.320) 38.944 12.845 ( -10.134 -5.851 2.349) 11.935 14.386 ( -0.102 -0.059 -5.936) 5.937 14.670 ( -0.420 -0.243 1.980) 2.039 14.848 ( -2.169 -1.252 -1.515) 2.927 14.903 ( -11.205 -6.469 -1.734) 13.054 16.619 ( -15.764 -9.101 -2.618) 18.390======================= Grid point 775 (270/670) =======================q-point: ( 0.47 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.766 ( 29.401 16.975 -4.771) 34.283 5.111 ( 15.120 8.729 -1.406) 17.515 6.363 ( 18.354 10.597 1.672) 21.259 6.692 ( 2.708 1.564 -2.075) 3.753 7.590 ( 9.247 5.338 1.689) 10.810 8.911 ( 31.579 18.232 3.665) 36.648 12.623 ( -10.195 -5.886 1.664) 11.889 14.317 ( -6.158 -3.555 0.010) 7.110 14.568 ( -6.648 -3.838 0.406) 7.688 14.691 ( -4.465 -2.578 -7.015) 8.706 14.891 ( 3.845 2.220 0.074) 4.440 16.279 ( -13.675 -7.895 -0.484) 15.798======================= Grid point 776 (271/670) =======================q-point: ( 0.53 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.340 ( 22.823 13.177 -6.518) 27.148 5.345 ( 7.010 4.047 -1.783) 8.289 6.716 ( -0.298 -0.172 0.768) 0.842 6.762 ( 15.102 8.719 1.670) 17.518 7.750 ( 4.525 2.612 0.585) 5.258 9.538 ( 22.506 12.994 1.812) 26.051 12.402 ( -9.428 -5.443 -0.077) 10.886 14.134 ( -8.314 -4.800 0.818) 9.634 14.428 ( -5.294 -3.057 -0.540) 6.137 14.664 ( 2.601 1.501 -4.343) 5.280 14.973 ( 2.960 1.709 1.080) 3.585 16.014 ( -9.653 -5.573 0.895) 11.183======================= Grid point 777 (272/670) =======================q-point: ( 0.58 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.442 ( 2.565 1.481 -1.630) 3.381 5.721 ( 12.458 7.192 -6.620) 15.835 6.683 ( -2.999 -1.731 1.540) 3.790 7.002 ( 5.106 2.948 1.163) 6.009 7.798 ( -0.029 -0.016 -1.209) 1.209 9.899 ( 8.375 4.836 1.577) 9.799 12.222 ( -5.545 -3.201 -2.661) 6.934 14.008 ( -2.616 -1.511 1.115) 3.220 14.339 ( -2.135 -1.232 -1.108) 2.702 14.739 ( 4.139 2.390 0.586) 4.815 15.025 ( 1.183 0.683 1.726) 2.201 15.865 ( -3.612 -2.085 1.540) 4.446======================= Grid point 778 (273/670) =======================q-point: (-0.37 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.458 ( -0.696 -0.402 -1.014) 1.294 5.817 ( -3.280 -1.894 -3.199) 4.958 6.614 ( -2.344 -1.353 -0.751) 2.809 6.982 ( -7.213 -4.164 0.344) 8.336 7.748 ( -3.539 -2.043 -3.195) 5.187 9.899 ( -9.134 -5.273 1.531) 10.657 12.161 ( 1.537 0.888 -4.940) 5.249 14.031 ( 4.007 2.313 1.955) 5.023 14.329 ( 1.620 0.935 -1.464) 2.375 14.839 ( 3.767 2.175 4.506) 6.263 15.036 ( -0.772 -0.446 2.131) 2.310 15.874 ( 3.969 2.292 1.940) 4.977======================= Grid point 779 (274/670) =======================q-point: (-0.32 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.401 ( -4.532 -2.617 0.475) 5.255 5.541 ( -20.278 -11.708 1.627) 23.472 6.602 ( 2.010 1.160 -3.822) 4.471 6.694 ( -17.581 -10.151 -1.053) 20.328 7.621 ( -6.619 -3.821 -4.592) 8.916 9.510 ( -25.196 -14.547 0.677) 29.101 12.247 ( 7.364 4.252 -5.930) 10.367 14.185 ( 8.545 4.934 2.252) 10.121 14.397 ( 4.617 2.665 -1.648) 5.580 14.930 ( 2.524 1.457 6.605) 7.220 15.007 ( -2.481 -1.432 2.280) 3.661 16.055 ( 11.134 6.428 2.613) 13.120======================= Grid point 780 (275/670) =======================q-point: (-0.26 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.967 ( -30.587 -17.659 3.664) 35.508 5.229 ( -12.529 -7.233 3.653) 14.921 6.237 ( -20.581 -11.882 -3.731) 24.056 6.667 ( 4.770 2.754 -3.444) 6.497 7.418 ( -9.888 -5.709 -5.144) 12.523 8.799 ( -37.488 -21.644 -0.895) 43.297 12.429 ( 10.255 5.920 -5.781) 13.177 14.407 ( 10.045 5.800 2.197) 11.805 14.511 ( 5.621 3.245 -1.630) 6.692 14.948 ( -3.144 -1.815 2.111) 4.200 14.993 ( 0.988 0.571 6.412) 6.513 16.375 ( 15.924 9.194 3.372) 18.694======================= Grid point 781 (276/670) =======================q-point: (-0.21 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.227 ( -35.805 -20.672 4.339) 41.571 4.802 ( -27.687 -15.985 7.286) 32.790 5.834 ( -12.543 -7.242 -6.404) 15.836 6.788 ( 6.353 3.668 -0.592) 7.359 7.140 ( -13.298 -7.678 -5.532) 16.321 7.848 ( -45.678 -26.372 -2.839) 52.821 12.656 ( 11.406 6.585 -5.076) 14.115 14.606 ( 2.176 1.256 -0.849) 2.652 14.634 ( 9.115 5.262 2.882) 10.912 14.907 ( 0.002 0.001 1.085) 1.085 15.017 ( -0.524 -0.303 4.157) 4.201 16.769 ( 17.526 10.119 3.386) 20.519======================= Grid point 782 (277/670) =======================q-point: (-0.16 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.412 ( -37.747 -21.793 5.022) 43.875 4.083 ( -37.085 -21.411 8.560) 43.669 5.610 ( -6.485 -3.744 -6.220) 9.735 6.606 ( -43.555 -25.147 -6.110) 50.663 6.860 ( -17.799 -10.277 10.650) 23.148 7.013 ( 1.534 0.886 -12.216) 12.344 12.903 ( 11.927 6.886 -4.209) 14.400 14.581 ( -3.676 -2.122 0.580) 4.284 14.827 ( 6.717 3.878 4.972) 9.212 14.976 ( 5.436 3.139 -0.608) 6.307 15.000 ( -1.606 -0.927 0.567) 1.940 17.162 ( 16.105 9.298 2.208) 18.727======================= Grid point 783 (278/670) =======================q-point: (-0.11 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.587 ( -36.879 -21.292 6.707) 43.109 3.250 ( -38.960 -22.493 9.823) 46.047 5.397 ( -56.940 -32.874 -4.854) 65.928 5.469 ( -4.607 -2.660 -5.457) 7.621 6.475 ( -16.902 -9.758 0.332) 19.520 7.180 ( 9.161 5.289 -1.688) 10.712 13.163 ( 12.441 7.183 -3.303) 14.740 14.480 ( -5.030 -2.904 0.922) 5.881 14.953 ( -1.441 -0.832 -6.224) 6.443 14.966 ( 2.884 1.665 11.021) 11.513 15.113 ( 6.532 3.771 -1.148) 7.630 17.491 ( 12.566 7.255 -0.057) 14.510======================= Grid point 788 (279/670) =======================q-point: ( 0.16 0.16 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.100 ( 0.000 23.532 22.931) 32.857 1.263 ( 0.000 29.382 23.357) 37.535 1.745 ( 0.000 38.816 31.903) 50.244 5.165 ( -0.000 0.671 -5.880) 5.918 5.390 ( -0.000 15.872 -7.037) 17.362 8.180 ( 0.000 -40.526 15.651) 43.443 14.032 ( 0.000 -15.490 0.685) 15.505 14.233 ( 0.000 2.313 0.623) 2.396 14.704 ( 0.000 -6.017 -0.342) 6.027 15.221 ( 0.000 1.584 14.948) 15.031 15.443 ( 0.000 -3.333 -0.450) 3.363 17.295 ( -0.000 36.981 -29.916) 47.567======================= Grid point 789 (280/670) =======================q-point: ( 0.21 0.16 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.448 ( 4.000 15.030 29.380) 33.243 1.541 ( 0.363 38.582 14.368) 41.172 2.687 ( 38.999 44.399 15.892) 61.194 5.215 ( 6.065 1.053 -5.505) 8.258 5.578 ( 6.307 16.117 -6.256) 18.403 7.804 ( -10.151 -19.044 8.660) 23.253 13.842 ( -4.278 -15.223 0.799) 15.832 14.261 ( 0.197 2.530 -0.872) 2.683 14.614 ( -5.740 3.122 -4.632) 8.009 15.246 ( -1.175 -1.383 10.417) 10.574 15.439 ( 0.471 -1.142 3.350) 3.570 17.545 ( 7.251 9.271 -19.257) 22.569======================= Grid point 790 (281/670) =======================q-point: ( 0.26 0.16 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.796 ( 11.109 16.428 24.376) 31.424 2.135 ( 17.405 38.905 7.202) 43.225 3.858 ( 43.897 41.832 6.199) 60.953 5.333 ( 7.281 3.095 -4.076) 8.900 5.868 ( 12.229 14.886 -4.277) 19.734 7.549 ( -6.654 -9.414 4.102) 12.236 13.616 ( -6.719 -12.219 1.234) 13.999 14.276 ( 1.514 -0.650 -4.633) 4.918 14.562 ( -5.281 8.762 -4.454) 11.158 15.228 ( 1.399 -8.169 3.940) 9.177 15.437 ( -3.392 0.691 8.236) 8.934 17.572 ( -1.278 -1.468 -11.937) 12.095======================= Grid point 791 (282/670) =======================q-point: ( 0.32 0.16 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.316 ( 22.206 17.591 15.132) 32.117 2.891 ( 24.335 38.507 4.338) 45.758 4.977 ( 41.796 35.334 -3.367) 54.833 5.492 ( 7.598 7.338 -2.620) 10.883 6.244 ( 17.012 13.092 -0.432) 21.471 7.420 ( -2.192 -4.275 4.586) 6.642 13.392 ( -8.047 -9.055 1.602) 12.220 14.273 ( 3.651 -3.784 -8.530) 10.020 14.572 ( -3.805 10.573 -1.433) 11.328 15.161 ( -1.095 -7.692 0.371) 7.779 15.381 ( -5.472 -3.312 8.908) 10.967 17.414 ( -8.482 -5.980 -8.263) 13.266======================= Grid point 792 (283/670) =======================q-point: ( 0.37 0.16 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.967 ( 29.280 17.704 7.609) 35.052 3.704 ( 26.294 36.666 2.505) 45.189 5.627 ( 11.336 6.666 -3.433) 13.592 5.949 ( 27.802 26.920 -10.915) 40.209 6.697 ( 21.025 12.956 3.887) 25.001 7.459 ( 6.777 3.208 8.572) 11.389 13.179 ( -8.967 -6.590 1.794) 11.272 14.273 ( 5.116 -4.546 -9.781) 11.938 14.618 ( -1.299 7.439 1.029) 7.622 15.035 ( -6.004 -7.142 0.101) 9.331 15.258 ( -6.677 -4.339 4.955) 9.379 17.132 ( -13.336 -8.122 -5.772) 16.647======================= Grid point 793 (284/670) =======================q-point: ( 0.42 0.16 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.675 ( 32.195 16.670 2.250) 36.325 4.467 ( 22.495 31.829 0.769) 38.983 5.873 ( 11.089 10.075 -1.212) 15.032 6.438 ( 13.823 10.264 -10.575) 20.205 7.154 ( 16.743 8.634 1.554) 18.902 7.864 ( 25.321 17.889 10.030) 32.585 12.971 ( -9.827 -4.972 1.674) 11.140 14.290 ( 5.567 -4.265 -8.058) 10.682 14.671 ( 0.934 2.504 2.140) 3.423 14.801 ( -9.154 -14.630 1.100) 17.293 15.136 ( -8.590 4.893 -0.845) 9.922 16.788 ( -15.373 -8.514 -3.305) 17.881======================= Grid point 794 (285/670) =======================q-point: ( 0.47 0.16 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.370 ( 31.426 14.282 -1.388) 34.547 5.040 ( 13.047 23.351 -1.260) 26.779 6.217 ( 15.095 15.408 0.539) 21.577 6.625 ( 6.042 2.567 -4.686) 8.065 7.458 ( 12.284 4.310 1.035) 13.059 8.586 ( 30.770 20.987 5.035) 37.585 12.760 ( -10.711 -3.948 1.068) 11.466 14.308 ( 1.972 -5.078 -2.018) 5.809 14.480 ( -5.608 -19.489 -2.695) 20.458 14.713 ( 1.154 0.515 1.534) 1.988 15.059 ( -9.489 11.722 -2.555) 15.297 16.446 ( -14.749 -7.223 -0.924) 16.449======================= Grid point 795 (286/670) =======================q-point: ( 0.53 0.16 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.974 ( 26.295 9.661 -3.456) 28.226 5.371 ( 5.500 16.965 -3.002) 18.085 6.639 ( 13.440 14.736 1.898) 20.035 6.699 ( 3.504 1.865 -1.407) 4.211 7.664 ( 8.294 1.471 0.280) 8.429 9.268 ( 26.145 15.686 2.252) 30.572 12.541 ( -11.379 -2.915 -0.265) 11.750 14.088 ( -6.208 -20.487 1.181) 21.439 14.400 ( 5.346 -5.042 -3.093) 7.973 14.737 ( -1.934 6.014 -0.403) 6.330 15.025 ( -5.694 8.640 -0.938) 10.390 16.159 ( -12.266 -4.200 0.759) 12.988======================= Grid point 796 (287/670) =======================q-point: ( 0.58 0.16 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.359 ( 11.405 3.600 -2.702) 12.261 5.608 ( 7.943 14.087 -5.617) 17.120 6.696 ( -0.502 -2.426 1.134) 2.725 6.982 ( 6.582 12.304 1.229) 14.008 7.765 ( 3.395 -0.676 -1.122) 3.639 9.752 ( 16.225 7.310 1.643) 17.872 12.330 ( -10.226 -0.865 -2.390) 10.537 13.846 ( 1.688 -20.264 0.502) 20.340 14.433 ( 1.502 0.458 0.008) 1.570 14.774 ( -2.889 10.494 -0.485) 10.895 15.024 ( -0.585 1.916 1.217) 2.345 15.967 ( -8.321 0.091 1.536) 8.463======================= Grid point 797 (288/670) =======================q-point: (-0.37 0.16 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.463 ( 0.703 1.930 -1.728) 2.684 5.810 ( 3.799 6.248 -5.769) 9.314 6.635 ( -3.081 -3.801 0.997) 4.994 7.091 ( -4.466 5.084 0.773) 6.811 7.760 ( -1.392 -2.191 -2.705) 3.750 9.936 ( 1.158 -2.378 1.799) 3.199 12.192 ( -4.996 2.880 -4.580) 7.364 13.769 ( 10.489 -16.969 0.863) 19.968 14.463 ( -1.859 6.540 0.723) 6.837 14.833 ( -0.566 6.178 1.729) 6.440 15.051 ( 1.150 1.470 2.556) 3.165 15.901 ( -2.450 4.250 1.815) 5.230======================= Grid point 798 (289/670) =======================q-point: (-0.32 0.16 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.426 ( -4.355 -3.661 -0.561) 5.717 5.765 ( -10.998 -0.257 -1.802) 11.148 6.563 ( -0.472 -2.555 -2.058) 3.314 6.938 ( -16.088 -0.332 -0.186) 16.092 7.662 ( -4.927 -4.117 -3.961) 7.544 9.747 ( -16.316 -10.867 1.451) 19.658 12.198 ( 2.088 6.535 -5.743) 8.947 13.866 ( 17.236 -12.537 0.932) 21.334 14.506 ( -2.294 9.038 0.811) 9.360 14.871 ( 1.744 -2.862 3.640) 4.948 15.107 ( -1.171 7.510 3.237) 8.262 15.987 ( 5.321 7.211 2.190) 9.225======================= Grid point 799 (290/670) =======================q-point: (-0.26 0.16 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.157 ( -17.178 -19.038 2.309) 25.746 5.518 ( -17.150 4.329 1.124) 17.723 6.488 ( -14.504 -6.326 -2.963) 16.098 6.643 ( -6.348 2.433 -2.924) 7.401 7.491 ( -7.681 -6.060 -4.534) 10.783 9.205 ( -31.815 -16.466 0.389) 35.825 12.331 ( 6.929 8.258 -5.699) 12.194 14.092 ( 20.372 -7.770 0.378) 21.807 14.563 ( -0.892 7.297 0.694) 7.384 14.861 ( 1.856 -7.973 4.583) 9.382 15.166 ( -4.281 10.985 3.018) 12.170 16.230 ( 12.626 9.022 2.809) 15.771======================= Grid point 800 (291/670) =======================q-point: (-0.21 0.16 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.545 ( -28.788 -25.202 4.126) 38.483 5.226 ( -25.436 0.967 4.810) 25.905 6.042 ( -21.742 -4.746 -5.325) 22.883 6.705 ( 6.082 3.355 -3.131) 7.619 7.254 ( -10.857 -7.407 -4.530) 13.901 8.383 ( -43.966 -19.640 -0.683) 48.158 12.535 ( 9.362 8.511 -5.005) 13.607 14.383 ( 19.776 -3.184 -0.370) 20.034 14.612 ( 0.194 2.738 0.073) 2.746 14.823 ( 1.732 -8.239 5.390) 9.996 15.188 ( -6.437 10.242 1.895) 12.245 16.585 ( 16.752 9.572 2.956) 19.519======================= Grid point 801 (292/670) =======================q-point: (-0.16 0.16 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.777 ( -33.422 -26.443 5.228) 42.937 4.655 ( -40.389 -6.240 7.116) 41.483 5.721 ( -11.843 0.023 -6.694) 13.604 6.847 ( 4.463 2.114 -2.161) 5.391 6.949 ( -13.107 -6.842 -5.463) 15.762 7.374 ( -49.939 -20.166 0.413) 53.859 12.769 ( 10.582 8.071 -4.110) 13.928 14.600 ( -1.472 -3.079 -0.604) 3.466 14.676 ( 16.195 0.833 -1.103) 16.254 14.825 ( 4.343 -5.377 6.193) 9.281 15.162 ( -7.209 7.388 0.562) 10.338 16.974 ( 17.234 8.577 2.027) 19.357======================= Grid point 802 (293/670) =======================q-point: (-0.11 0.16 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.967 ( -34.483 -25.338 6.985) 43.357 3.866 ( -45.762 -8.910 7.457) 47.213 5.548 ( -8.011 1.364 -6.057) 10.135 6.113 ( -57.816 -18.708 -4.939) 60.968 6.677 ( -18.043 -9.133 -1.301) 20.264 7.062 ( 9.318 4.177 0.920) 10.253 13.018 ( 11.518 7.319 -3.141) 14.004 14.519 ( -3.033 -4.282 -0.729) 5.298 14.893 ( 6.450 -4.933 6.789) 10.584 14.908 ( 7.858 3.472 -3.947) 9.454 15.115 ( -3.321 3.983 1.641) 5.439 17.326 ( 14.917 6.376 0.024) 16.223======================= Grid point 808 (294/670) =======================q-point: ( 0.21 0.21 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.682 ( 0.000 21.426 23.376) 31.710 2.034 ( 0.000 34.783 18.162) 39.240 2.865 ( -0.000 57.103 12.475) 58.450 5.149 ( -0.000 2.213 -7.162) 7.496 5.681 ( -0.000 18.309 -5.289) 19.057 7.713 ( 0.000 -19.141 5.902) 20.030 13.712 ( 0.000 -16.704 -0.378) 16.708 14.301 ( -0.000 4.151 0.777) 4.223 14.649 ( -0.000 0.527 -6.047) 6.070 15.351 ( 0.000 -5.599 -0.587) 5.630 15.376 ( 0.000 1.915 14.901) 15.023 17.513 ( -0.000 8.226 -17.311) 19.166======================= Grid point 809 (295/670) =======================q-point: ( 0.26 0.21 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.991 ( 1.355 22.268 22.955) 32.010 2.420 ( 1.122 41.574 11.905) 43.259 3.727 ( 27.340 53.567 5.719) 60.412 5.212 ( 7.064 3.004 -6.510) 10.065 5.881 ( 4.382 18.177 -4.441) 19.218 7.537 ( -3.147 -12.576 3.652) 13.468 13.540 ( -1.169 -15.655 -0.142) 15.699 14.300 ( -4.214 2.902 -2.716) 5.793 14.667 ( 1.740 5.282 -4.606) 7.221 15.199 ( -6.134 -6.406 2.467) 9.206 15.476 ( 1.640 -2.034 10.528) 10.847 17.523 ( 0.815 0.357 -12.715) 12.746======================= Grid point 810 (296/670) =======================q-point: ( 0.32 0.21 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.346 ( 6.399 24.138 19.334) 31.582 2.999 ( 13.250 43.969 6.433) 46.370 4.729 ( 31.417 44.353 -3.267) 54.451 5.395 ( 11.287 7.472 -4.037) 14.126 6.152 ( 9.628 15.999 -2.218) 18.804 7.413 ( -1.500 -6.667 4.277) 8.062 13.374 ( -2.028 -13.107 0.703) 13.282 14.225 ( -3.667 0.669 -7.461) 8.340 14.743 ( -2.363 10.500 -0.814) 10.793 15.071 ( -0.061 -9.011 0.641) 9.034 15.452 ( -3.871 -5.750 9.102) 11.441 17.435 ( -4.086 -5.186 -9.067) 11.216======================= Grid point 811 (297/670) =======================q-point: ( 0.37 0.21 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.823 ( 15.380 24.196 13.088) 31.517 3.725 ( 19.251 43.254 3.683) 47.487 5.441 ( 17.988 13.884 -8.439) 24.239 5.808 ( 19.651 29.007 -7.432) 35.817 6.516 ( 16.601 14.174 2.490) 21.970 7.416 ( 4.123 0.860 7.646) 8.729 13.220 ( -3.684 -9.750 1.501) 10.530 14.156 ( -0.343 -1.410 -9.588) 9.697 14.753 ( -5.667 5.772 2.051) 8.344 15.022 ( 0.274 -5.755 -0.323) 5.770 15.322 ( -5.403 -6.832 5.590) 10.350 17.227 ( -9.418 -8.055 -6.389) 13.943======================= Grid point 812 (298/670) =======================q-point: ( 0.42 0.21 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.409 ( 22.442 22.425 7.301) 32.555 4.472 ( 19.040 39.386 1.812) 43.784 5.765 ( 13.343 10.507 -4.522) 17.575 6.293 ( 13.043 16.198 -11.943) 23.982 6.962 ( 17.247 10.840 1.731) 20.444 7.700 ( 18.087 15.982 10.363) 26.267 13.065 ( -6.138 -6.497 1.699) 9.097 14.125 ( 3.581 -3.735 -9.318) 10.659 14.715 ( -2.602 0.384 2.172) 3.411 14.845 ( -10.920 -13.562 3.227) 17.708 15.263 ( -1.603 4.593 -0.805) 4.931 16.934 ( -12.912 -8.833 -3.941) 16.133======================= Grid point 813 (299/670) =======================q-point: ( 0.47 0.21 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.043 ( 25.757 19.511 2.898) 32.442 5.089 ( 12.162 30.287 -0.439) 32.640 6.127 ( 15.515 17.539 -1.711) 23.479 6.522 ( 7.426 4.978 -6.894) 11.289 7.282 ( 13.047 4.015 0.627) 13.665 8.333 ( 26.708 23.268 6.032) 35.932 12.895 ( -8.587 -3.971 1.030) 9.516 14.141 ( 6.902 -5.682 -6.713) 11.179 14.463 ( -13.747 -20.065 1.621) 24.376 14.713 ( 0.241 0.919 2.306) 2.494 15.285 ( -4.834 10.297 -2.375) 11.621 16.614 ( -13.757 -7.586 -1.514) 15.782======================= Grid point 814 (300/670) =======================q-point: ( 0.53 0.21 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.652 ( 24.789 15.585 -0.162) 29.282 5.462 ( 4.503 20.664 -2.587) 21.307 6.580 ( 12.168 13.752 1.265) 18.405 6.646 ( 7.493 9.727 -3.461) 12.757 7.506 ( 10.972 0.285 -0.092) 10.977 9.002 ( 25.363 18.318 2.424) 31.380 12.707 ( -10.420 -1.841 -0.319) 10.586 14.031 ( -12.052 -22.400 1.452) 25.478 14.200 ( 8.960 -6.579 -4.142) 11.862 14.765 ( 2.451 3.580 1.705) 4.662 15.265 ( -8.906 10.623 -2.361) 14.063 16.332 ( -12.250 -4.122 0.454) 12.933======================= Grid point 815 (301/670) =======================q-point: ( 0.58 0.21 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.149 ( 18.482 10.486 -1.972) 21.341 5.671 ( 1.582 15.936 -3.896) 16.482 6.661 ( 2.139 -2.284 0.209) 3.137 7.026 ( 7.542 20.034 1.075) 21.433 7.656 ( 7.790 -1.240 -1.609) 8.051 9.529 ( 19.710 9.332 1.297) 21.846 12.511 ( -11.376 0.827 -2.153) 11.608 13.663 ( -5.284 -21.925 0.404) 22.556 14.287 ( 9.554 -6.524 -0.091) 11.569 14.875 ( 3.381 7.333 1.598) 8.232 15.179 ( -10.864 7.849 -1.558) 13.493 16.134 ( -9.630 0.850 1.442) 9.775======================= Grid point 816 (302/670) =======================q-point: ( 0.63 0.21 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.433 ( 6.629 5.314 -2.262) 8.792 5.823 ( 1.944 12.104 -4.902) 13.203 6.641 ( -1.310 -3.871 1.162) 4.249 7.227 ( -1.946 10.524 1.303) 10.781 7.731 ( 2.304 -0.073 -3.030) 3.807 9.832 ( 9.745 -0.328 1.491) 9.864 12.342 ( -9.685 4.523 -4.125) 11.457 13.458 ( 4.825 -18.982 0.552) 19.594 14.390 ( 9.080 -5.663 2.509) 10.992 15.023 ( -0.391 13.555 0.888) 13.589 15.059 ( -6.334 1.418 0.630) 6.521 16.033 ( -6.388 5.152 1.633) 8.368======================= Grid point 817 (303/670) =======================q-point: (-0.32 0.21 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.474 ( -3.559 -0.340 -1.484) 3.871 5.901 ( -3.312 7.125 -3.817) 8.735 6.560 ( -3.040 -4.000 0.220) 5.028 7.192 ( -10.571 4.314 0.272) 11.420 7.694 ( -4.475 -1.715 -3.529) 5.951 9.840 ( -4.868 -8.180 1.623) 9.656 12.268 ( -4.113 8.256 -5.325) 10.650 13.462 ( 14.416 -14.448 0.659) 20.421 14.495 ( 7.734 -4.406 3.955) 9.740 14.929 ( -8.065 1.758 0.242) 8.258 15.197 ( 2.468 11.774 2.538) 12.295 16.034 ( -1.290 7.527 1.659) 7.815======================= Grid point 818 (304/670) =======================q-point: (-0.26 0.21 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.277 ( -14.085 -10.936 0.658) 17.844 5.817 ( -12.020 6.124 -0.909) 13.521 6.501 ( -0.030 -1.775 -2.639) 3.180 6.959 ( -20.536 2.642 -0.915) 20.725 7.540 ( -7.278 -5.583 -3.621) 9.862 9.521 ( -21.259 -12.541 1.075) 24.706 12.325 ( 1.984 10.111 -5.287) 11.581 13.651 ( 21.030 -9.461 0.176) 23.060 14.586 ( 5.426 -2.886 4.352) 7.531 14.817 ( -4.871 -2.837 1.106) 5.745 15.340 ( -1.230 12.587 2.045) 12.811 16.159 ( 6.416 8.330 1.943) 10.693======================= Grid point 819 (305/670) =======================q-point: (-0.21 0.21 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.793 ( -25.527 -19.248 3.072) 32.118 5.636 ( -17.430 6.113 1.257) 18.513 6.383 ( -18.366 -2.125 -3.549) 18.827 6.684 ( -5.790 3.806 -2.760) 7.458 7.331 ( -8.539 -7.319 -3.295) 11.719 8.905 ( -36.223 -13.920 0.392) 38.807 12.478 ( 6.023 10.006 -4.465) 12.504 13.963 ( 23.714 -5.020 -0.739) 24.251 14.648 ( 1.413 0.246 2.950) 3.280 14.721 ( -0.330 -8.302 2.702) 8.737 15.401 ( -5.604 10.598 1.063) 12.036 16.420 ( 13.642 8.218 2.093) 16.063======================= Grid point 820 (306/670) =======================q-point: (-0.16 0.21 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.111 ( -32.342 -21.193 4.582) 38.938 5.278 ( -32.416 0.326 4.095) 32.675 5.978 ( -20.502 1.836 -5.623) 21.338 6.750 ( 6.384 3.452 -3.840) 8.211 7.084 ( -11.426 -6.954 -2.503) 13.608 8.057 ( -47.949 -13.152 1.016) 49.730 12.679 ( 8.296 8.879 -3.394) 12.617 14.318 ( 21.907 -2.384 -2.319) 22.158 14.617 ( -2.229 -1.920 -0.228) 2.951 14.718 ( 5.031 -6.296 6.141) 10.133 15.369 ( -8.403 7.081 0.149) 10.990 16.765 ( 16.982 6.864 1.369) 18.368======================= Grid point 821 (307/670) =======================q-point: (-0.11 0.21 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.356 ( -35.234 -19.132 6.171) 40.566 4.598 ( -44.977 -4.336 4.089) 45.370 5.726 ( -12.389 4.125 -5.521) 14.177 6.763 ( -24.393 -4.198 -2.491) 24.877 6.839 ( -3.657 -3.204 -13.366) 14.223 7.154 ( -34.419 -5.227 12.497) 36.989 12.901 ( 9.707 7.239 -2.245) 12.316 14.481 ( 1.849 -5.378 -4.674) 7.361 14.707 ( 12.757 2.081 -0.748) 12.948 14.781 ( 7.322 -4.444 7.474) 11.367 15.269 ( -9.061 3.497 -0.140) 9.713 17.111 ( 16.701 4.369 -0.294) 17.265======================= Grid point 828 (308/670) =======================q-point: ( 0.26 0.26 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.293 ( 0.000 27.094 17.316) 32.155 2.863 ( 0.000 38.834 13.989) 41.277 4.072 ( -0.000 60.421 2.909) 60.490 5.151 ( -0.000 3.277 -7.609) 8.284 6.013 ( -0.000 18.665 -4.470) 19.193 7.455 ( 0.000 -10.897 3.578) 11.469 13.386 ( 0.000 -16.240 -0.814) 16.261 14.403 ( -0.000 5.632 0.880) 5.701 14.624 ( -0.000 1.981 -7.992) 8.234 15.221 ( 0.000 -7.147 -0.568) 7.170 15.463 ( 0.000 -3.286 12.882) 13.295 17.472 ( -0.000 -1.493 -11.098) 11.198======================= Grid point 829 (309/670) =======================q-point: ( 0.32 0.26 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.625 ( 0.299 29.040 15.140) 32.751 3.318 ( 3.834 42.881 10.036) 44.207 4.791 ( 14.503 51.823 -3.859) 53.952 5.255 ( 10.897 7.570 -5.535) 14.376 6.202 ( 3.333 17.138 -3.560) 17.818 7.378 ( -0.260 -6.135 5.175) 8.031 13.236 ( 0.921 -15.282 -0.411) 15.315 14.344 ( -9.055 4.239 -4.230) 10.856 14.743 ( 9.460 5.039 -3.639) 11.319 15.074 ( -7.269 -6.845 0.590) 10.003 15.457 ( -0.926 -7.386 9.643) 12.182 17.396 ( -1.413 -5.607 -8.660) 10.413======================= Grid point 830 (310/670) =======================q-point: ( 0.37 0.26 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.986 ( 3.443 29.719 12.748) 32.521 3.911 ( 11.871 44.890 6.148) 46.839 5.289 ( 12.175 14.170 -9.704) 21.052 5.752 ( 19.665 34.110 -7.568) 40.093 6.451 ( 9.055 15.652 0.619) 18.093 7.393 ( 3.007 1.712 8.354) 9.043 13.120 ( 1.729 -13.312 0.579) 13.436 14.211 ( -8.122 3.172 -7.572) 11.548 14.889 ( -5.384 -7.989 0.801) 9.667 14.938 ( 5.140 7.067 -0.001) 8.739 15.345 ( -4.548 -9.751 5.624) 12.141 17.244 ( -5.146 -8.923 -6.411) 12.133======================= Grid point 831 (311/670) =======================q-point: ( 0.42 0.26 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.419 ( 9.797 28.624 9.087) 31.589 4.595 ( 15.069 42.677 3.965) 45.433 5.595 ( 15.421 10.008 -7.685) 19.926 6.232 ( 9.932 18.705 -12.803) 24.747 6.823 ( 13.941 14.421 2.394) 20.200 7.634 ( 12.870 16.683 10.554) 23.565 13.033 ( 0.901 -10.523 1.603) 10.682 14.087 ( -5.168 0.484 -8.862) 10.270 14.746 ( -3.524 -6.621 1.058) 7.574 14.928 ( -9.486 -8.020 4.974) 13.381 15.284 ( 3.053 3.670 -1.373) 4.968 17.011 ( -8.822 -10.272 -4.286) 14.202======================= Grid point 832 (312/670) =======================q-point: ( 0.47 0.26 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.928 ( 15.670 25.785 5.433) 30.658 5.209 ( 10.661 33.328 1.616) 35.029 5.991 ( 19.507 16.985 -4.848) 26.316 6.441 ( 6.193 7.423 -8.288) 12.734 7.129 ( 10.414 5.861 1.179) 12.008 8.189 ( 21.249 25.998 6.619) 34.223 12.944 ( -2.209 -7.184 1.715) 7.709 13.996 ( 0.227 -4.039 -7.586) 8.597 14.524 ( -13.637 -17.009 1.657) 21.863 14.740 ( -2.546 -1.140 2.741) 3.911 15.398 ( 1.535 8.952 -2.267) 9.361 16.735 ( -10.714 -9.260 -2.099) 14.316======================= Grid point 833 (313/670) =======================q-point: ( 0.53 0.26 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.468 ( 18.638 21.722 2.496) 28.730 5.594 ( 4.123 21.886 -1.404) 22.315 6.481 ( 12.366 9.013 -0.380) 15.307 6.616 ( 12.321 19.619 -5.015) 23.703 7.326 ( 9.563 0.228 0.510) 9.579 8.806 ( 21.214 21.321 2.496) 30.180 12.825 ( -5.954 -3.837 0.389) 7.094 13.968 ( 5.626 -10.810 -1.339) 12.260 14.085 ( -16.072 -16.158 -2.213) 22.898 14.765 ( 2.177 3.281 1.903) 4.373 15.462 ( -3.711 8.708 -2.437) 9.774 16.478 ( -10.171 -5.579 -0.052) 11.600======================= Grid point 834 (314/670) =======================q-point: ( 0.58 0.26 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.970 ( 17.357 16.643 0.270) 24.049 5.808 ( 0.522 17.075 -2.784) 17.308 6.588 ( 3.832 -1.700 -0.448) 4.216 7.112 ( 10.155 26.576 0.362) 28.452 7.474 ( 10.563 -2.228 -1.780) 10.942 9.306 ( 18.173 11.318 0.746) 21.423 12.681 ( -8.173 -0.282 -1.543) 8.322 13.622 ( -13.621 -19.618 1.079) 23.907 14.031 ( 10.256 -9.066 -1.488) 13.770 14.876 ( 4.286 6.448 1.860) 7.963 15.422 ( -8.733 6.907 -2.277) 11.364 16.297 ( -8.212 -0.022 1.208) 8.300======================= Grid point 835 (315/670) =======================q-point: ( 0.63 0.26 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.347 ( 10.986 10.573 -1.327) 15.305 5.942 ( -1.414 14.701 -3.225) 15.117 6.609 ( 1.311 -3.164 0.526) 3.465 7.345 ( -0.339 5.659 2.044) 6.027 7.678 ( 7.461 11.133 -3.862) 13.947 9.635 ( 13.362 0.737 0.735) 13.402 12.544 ( -9.138 4.497 -3.406) 10.739 13.275 ( -5.222 -17.672 0.414) 18.432 14.131 ( 12.367 -10.259 2.154) 16.212 15.032 ( 4.650 7.110 2.297) 8.801 15.309 ( -10.606 6.906 -1.841) 12.789 16.202 ( -6.635 4.571 1.476) 8.192======================= Grid point 836 (316/670) =======================q-point: (-0.32 0.26 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.512 ( 0.535 3.744 -1.803) 4.190 6.027 ( -2.784 12.018 -3.112) 12.723 6.570 ( -2.002 -3.865 0.838) 4.433 7.329 ( -2.812 -1.691 0.582) 3.332 7.800 ( -5.459 10.472 -3.324) 12.268 9.766 ( 4.999 -6.947 1.161) 8.637 12.447 ( -8.232 9.233 -4.685) 13.227 13.133 ( 7.127 -14.526 0.513) 16.188 14.254 ( 12.662 -10.370 4.006) 16.849 15.084 ( -6.559 0.982 1.318) 6.762 15.294 ( 0.293 12.941 -0.015) 12.945 16.166 ( -4.710 6.814 1.359) 8.394======================= Grid point 837 (317/670) =======================q-point: (-0.26 0.26 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.418 ( -11.007 -4.358 -0.588) 11.853 6.044 ( -7.053 9.217 -1.872) 11.756 6.495 ( -2.220 -2.367 -0.548) 3.291 7.234 ( -7.752 -0.260 -0.616) 7.781 7.675 ( -14.596 2.492 -2.811) 15.072 9.664 ( -8.048 -10.186 1.040) 13.023 12.427 ( -3.808 11.129 -4.594) 12.627 13.229 ( 17.428 -9.531 0.139) 19.864 14.377 ( 11.746 -10.174 4.552) 16.192 14.946 ( -9.357 0.305 0.597) 9.381 15.456 ( 2.253 11.949 0.878) 12.191 16.192 ( -0.426 7.082 1.313) 7.215======================= Grid point 838 (318/670) =======================q-point: (-0.21 0.26 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.057 ( -22.325 -11.346 1.472) 25.087 5.952 ( -12.577 7.146 -0.428) 14.472 6.465 ( -0.127 -0.124 -2.290) 2.297 7.022 ( -20.416 4.608 -1.506) 20.984 7.405 ( -11.742 -5.962 -2.119) 13.338 9.301 ( -23.529 -9.956 0.592) 25.556 12.500 ( 1.377 10.413 -3.531) 11.082 13.511 ( 23.408 -4.593 -0.653) 23.863 14.477 ( 9.849 -10.181 4.213) 14.778 14.797 ( -8.154 -0.133 0.353) 8.163 15.570 ( -2.009 9.349 0.444) 9.572 16.316 ( 7.264 6.165 1.304) 9.616======================= Grid point 839 (319/670) =======================q-point: (-0.16 0.26 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.489 ( -30.587 -13.174 2.982) 33.437 5.742 ( -19.932 3.289 0.784) 20.216 6.355 ( -17.715 1.566 -3.075) 18.048 6.750 ( -8.432 4.688 -3.038) 10.114 7.180 ( -8.211 -6.002 -0.812) 10.203 8.693 ( -38.031 -7.710 0.876) 38.814 12.640 ( 5.174 8.465 -2.188) 10.160 13.894 ( 24.870 -1.099 -1.687) 24.951 14.530 ( 6.539 -10.376 2.959) 12.617 14.689 ( -4.297 0.487 0.635) 4.371 15.566 ( -6.975 5.642 -0.119) 8.972 16.557 ( 14.096 4.348 0.695) 14.768======================= Grid point 840 (320/670) =======================q-point: (-0.11 0.26 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.826 ( -35.043 -10.301 4.196) 36.766 5.278 ( -36.658 -2.293 1.395) 36.756 6.016 ( -19.369 4.659 -3.784) 20.278 6.762 ( 3.314 0.818 -6.897) 7.696 6.989 ( -10.345 -1.139 1.484) 10.513 7.909 ( -47.740 -3.540 4.009) 48.039 12.815 ( 7.568 5.971 -0.814) 9.675 14.265 ( 17.912 -0.142 -5.079) 18.618 14.543 ( 6.771 -5.454 2.281) 8.988 14.675 ( 1.890 -1.766 2.725) 3.758 15.459 ( -9.627 2.256 -0.482) 9.900 16.852 ( 16.799 1.524 -0.712) 16.883======================= Grid point 848 (321/670) =======================q-point: ( 0.32 0.32 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.970 ( 0.000 32.283 10.095) 33.825 3.734 ( 0.000 41.758 10.302) 43.010 5.169 ( -0.000 3.745 -7.115) 8.040 5.217 ( -0.000 56.307 -4.913) 56.520 6.325 ( -0.000 16.069 -3.619) 16.471 7.358 ( 0.000 -1.894 7.412) 7.650 13.073 ( 0.000 -15.413 -0.577) 15.423 14.529 ( -0.000 6.382 1.068) 6.470 14.617 ( -0.000 2.930 -8.203) 8.711 15.070 ( 0.000 -7.817 -0.608) 7.841 15.421 ( 0.000 -8.598 8.756) 12.272 17.316 ( -0.000 -7.818 -7.334) 10.719======================= Grid point 849 (322/670) =======================q-point: ( 0.37 0.32 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.314 ( -0.496 32.965 7.742) 33.865 4.223 ( 5.608 43.494 7.871) 44.555 5.220 ( 5.034 6.436 -7.690) 11.220 5.816 ( 11.621 41.715 -10.278) 44.507 6.501 ( 4.014 16.392 -0.042) 16.876 7.419 ( 1.997 6.659 10.084) 12.248 12.944 ( 2.303 -14.525 0.039) 14.707 14.407 ( -11.762 5.252 -5.086) 13.849 14.772 ( 6.986 -1.955 -1.355) 7.380 14.981 ( -0.364 -1.301 -0.245) 1.372 15.327 ( -3.079 -10.795 5.213) 12.377 17.187 ( -2.056 -10.639 -5.791) 12.286======================= Grid point 850 (323/670) =======================q-point: ( 0.42 0.32 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.658 ( 1.471 32.031 6.183) 32.656 4.815 ( 10.681 42.921 6.324) 44.679 5.411 ( 12.824 7.699 -8.446) 17.178 6.224 ( 6.870 18.184 -12.953) 23.359 6.800 ( 8.667 17.995 2.613) 20.143 7.671 ( 8.699 21.343 10.734) 25.425 12.869 ( 4.325 -13.020 1.077) 13.762 14.227 ( -11.795 2.588 -6.872) 13.894 14.718 ( -1.903 -8.285 1.059) 8.566 15.015 ( -5.395 -5.011 4.009) 8.384 15.230 ( 4.751 0.534 -2.252) 5.285 17.000 ( -4.699 -12.326 -4.212) 13.848======================= Grid point 851 (324/670) =======================q-point: ( 0.47 0.32 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.040 ( 6.038 29.672 4.422) 30.601 5.378 ( 8.124 30.450 4.360) 31.816 5.784 ( 21.664 18.385 -7.211) 29.315 6.394 ( 4.781 7.555 -8.258) 12.171 7.069 ( 6.184 9.565 1.971) 11.559 8.176 ( 15.202 30.067 6.715) 34.354 12.836 ( 4.583 -10.839 1.956) 11.930 14.015 ( -9.293 -4.084 -6.130) 11.858 14.589 ( -8.066 -8.447 0.545) 11.692 14.795 ( -6.945 -6.039 2.256) 9.476 15.396 ( 6.919 7.105 -2.488) 10.225 16.772 ( -6.585 -11.706 -2.466) 13.656======================= Grid point 852 (325/670) =======================q-point: ( 0.53 0.32 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.466 ( 10.577 25.938 2.757) 28.147 5.714 ( 5.388 17.723 -0.422) 18.529 6.352 ( 16.009 15.083 -0.563) 22.002 6.561 ( 12.611 17.232 -6.225) 22.243 7.227 ( 4.566 3.499 1.750) 6.013 8.732 ( 15.265 25.270 2.547) 29.632 12.810 ( 1.784 -7.657 1.607) 8.025 13.816 ( -2.606 -12.602 -1.749) 12.987 14.246 ( -18.096 -9.234 -3.157) 20.560 14.768 ( 1.800 2.715 1.899) 3.771 15.536 ( 2.452 6.065 -2.499) 7.003 16.554 ( -6.593 -8.101 -0.604) 10.462======================= Grid point 853 (326/670) =======================q-point: ( 0.58 0.32 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.903 ( 12.664 21.011 1.327) 24.568 5.939 ( 2.892 15.462 -1.825) 15.835 6.509 ( 3.990 -0.295 -0.118) 4.002 7.149 ( 20.682 29.901 -2.964) 36.477 7.307 ( 3.176 -1.450 1.199) 3.692 9.168 ( 12.621 14.299 0.314) 19.075 12.749 ( -2.474 -3.939 -0.335) 4.664 13.643 ( -3.377 -20.640 5.892) 21.729 13.885 ( -9.943 -3.933 -7.741) 13.201 14.875 ( 4.173 6.778 1.806) 8.161 15.568 ( -3.168 3.682 -2.554) 5.488 16.405 ( -5.052 -2.165 0.804) 5.554======================= Grid point 854 (327/670) =======================q-point: ( 0.63 0.32 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.284 ( 10.650 14.961 -0.011) 18.365 6.102 ( -0.378 15.125 -1.879) 15.246 6.551 ( 2.401 -1.856 0.331) 3.053 7.314 ( 2.569 -6.914 0.168) 7.378 7.709 ( 11.645 28.182 -1.931) 30.555 9.438 ( 10.423 1.790 -0.130) 10.577 12.666 ( -3.662 -0.280 -2.106) 4.234 13.311 ( -14.257 -12.571 1.480) 19.065 13.827 ( 9.498 -11.042 -0.339) 14.569 15.037 ( 4.748 8.463 2.004) 9.908 15.500 ( -6.829 2.757 -2.225) 7.693 16.337 ( -4.229 2.798 1.219) 5.216======================= Grid point 855 (328/670) =======================q-point: ( 0.68 0.32 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.523 ( 3.968 7.996 -1.080) 8.992 6.206 ( -3.583 14.119 -1.555) 14.649 6.554 ( 0.232 -2.559 0.567) 2.632 7.273 ( 2.170 -8.770 -0.363) 9.042 8.034 ( -2.611 22.625 -2.026) 22.866 9.571 ( 9.054 -7.447 0.364) 11.729 12.626 ( -2.737 5.301 -3.090) 6.719 13.004 ( -8.445 -9.203 -0.248) 12.493 13.921 ( 14.106 -13.086 3.162) 19.499 15.172 ( -0.124 5.449 2.321) 5.924 15.423 ( -3.932 5.970 -1.870) 7.389 16.310 ( -4.321 5.057 1.110) 6.744======================= Grid point 856 (329/670) =======================q-point: (-0.26 0.32 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.547 ( -6.281 0.935 -1.001) 6.428 6.244 ( -6.055 11.285 -1.174) 12.860 6.513 ( -2.190 -2.255 0.285) 3.157 7.228 ( 1.870 -6.700 -0.762) 6.998 8.034 ( -17.178 13.504 -1.892) 21.932 9.602 ( 3.839 -9.715 0.530) 10.460 12.627 ( -7.044 11.752 -3.632) 14.174 12.904 ( 8.920 -9.143 0.038) 12.773 14.053 ( 14.698 -12.566 3.633) 19.676 15.113 ( -8.972 0.997 1.188) 9.105 15.508 ( 3.420 8.863 -0.475) 9.512 16.296 ( -3.537 5.233 0.983) 6.392======================= Grid point 857 (330/670) =======================q-point: (-0.21 0.32 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.323 ( -17.617 -4.484 0.212) 18.180 6.203 ( -9.442 7.001 -0.749) 11.778 6.466 ( -1.123 -0.224 -0.658) 1.321 7.195 ( -0.829 -2.010 -0.828) 2.327 7.735 ( -26.483 4.207 -1.394) 26.851 9.488 ( -8.306 -7.458 0.162) 11.164 12.612 ( -4.407 9.291 -2.331) 10.544 13.102 ( 19.826 -3.091 -0.421) 20.070 14.187 ( 13.268 -11.099 2.461) 17.473 14.956 ( -10.017 0.195 0.784) 10.049 15.642 ( 2.588 6.560 -0.395) 7.063 16.310 ( 0.073 3.934 0.924) 4.041======================= Grid point 858 (331/670) =======================q-point: (-0.16 0.32 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.893 ( -26.832 -5.739 1.263) 27.468 6.051 ( -13.952 2.527 -0.659) 14.194 6.465 ( -0.090 1.394 -1.218) 1.853 7.124 ( -14.541 7.039 -1.128) 16.194 7.286 ( -19.658 -5.387 -0.278) 20.385 9.164 ( -23.641 -3.941 0.180) 23.968 12.655 ( 1.018 6.311 -0.777) 6.440 13.467 ( 24.306 0.500 -0.699) 24.321 14.294 ( 10.405 -9.118 0.336) 13.839 14.802 ( -8.181 0.113 0.675) 8.210 15.691 ( -2.508 2.939 -0.736) 3.933 16.401 ( 7.460 1.711 0.494) 7.670======================= Grid point 859 (332/670) =======================q-point: (-0.11 0.32 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.349 ( -32.582 -2.493 1.947) 32.735 5.755 ( -22.429 -2.038 -0.939) 22.541 6.394 ( -15.326 3.476 -0.952) 15.744 6.790 ( -13.386 0.771 -3.732) 13.918 7.135 ( -5.814 2.213 2.049) 6.549 8.629 ( -37.278 0.350 1.663) 37.317 12.754 ( 4.942 3.196 0.771) 5.936 13.897 ( 24.513 2.260 -1.449) 24.660 14.362 ( 7.358 -6.413 -1.823) 9.929 14.700 ( -4.181 0.086 1.051) 4.312 15.613 ( -7.313 -0.495 -0.902) 7.385 16.588 ( 13.729 -1.295 -0.708) 13.808======================= Grid point 868 (333/670) =======================q-point: ( 0.37 0.37 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.667 ( -0.000 33.998 3.228) 34.151 4.618 ( -0.000 42.592 6.652) 43.108 5.198 ( -0.000 3.605 -5.375) 6.472 6.061 ( -0.000 31.686 -13.134) 34.300 6.643 ( -0.000 20.178 2.161) 20.294 7.545 ( 0.000 16.223 11.239) 19.736 12.781 ( 0.000 -14.364 0.321) 14.368 14.617 ( -0.000 1.937 -6.603) 6.881 14.650 ( 0.000 4.046 1.609) 4.354 14.924 ( 0.000 -5.584 -1.094) 5.690 15.266 ( 0.000 -10.805 3.022) 11.220 17.071 ( -0.000 -12.821 -4.865) 13.713======================= Grid point 869 (334/670) =======================q-point: ( 0.42 0.37 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.991 ( -0.914 32.762 1.121) 32.793 5.106 ( 6.457 42.007 5.383) 42.840 5.273 ( 6.901 4.323 -5.513) 9.834 6.264 ( 2.510 13.924 -10.795) 17.797 6.894 ( 3.486 19.908 2.714) 20.393 7.839 ( 4.656 29.279 9.939) 31.269 12.674 ( 3.192 -13.615 1.124) 14.029 14.448 ( -13.610 0.617 -4.939) 14.492 14.673 ( -0.471 -5.279 1.572) 5.528 14.996 ( 6.240 -0.313 0.592) 6.276 15.148 ( -0.309 -6.347 -2.191) 6.722 16.908 ( -1.724 -14.428 -3.825) 15.025======================= Grid point 870 (335/670) =======================q-point: ( 0.47 0.37 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.293 ( 0.580 30.156 0.516) 30.166 5.453 ( 9.803 6.885 -1.323) 12.052 5.695 ( 14.637 37.919 -0.160) 40.647 6.374 ( 2.910 7.015 -5.909) 9.622 7.112 ( 2.538 12.204 2.439) 12.702 8.311 ( 9.056 35.023 6.087) 36.684 12.631 ( 6.048 -12.425 2.047) 13.970 14.150 ( -14.694 -8.065 -3.550) 17.134 14.638 ( -2.119 0.649 0.553) 2.284 14.860 ( -8.513 -8.855 -0.443) 12.291 15.292 ( 10.825 4.684 -3.010) 12.173 16.715 ( -2.880 -14.122 -2.569) 14.640======================= Grid point 871 (336/670) =======================q-point: ( 0.53 0.37 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.611 ( 4.156 26.643 0.428) 26.969 5.700 ( 11.214 7.848 -2.279) 13.876 6.282 ( 12.823 22.435 1.363) 25.877 6.516 ( 9.250 15.830 -3.450) 18.656 7.241 ( 1.061 6.830 2.066) 7.214 8.805 ( 8.932 29.850 2.457) 31.254 12.644 ( 7.321 -10.353 2.440) 12.912 13.802 ( -11.672 -14.699 -0.950) 18.794 14.473 ( -16.369 -2.114 -4.822) 17.194 14.765 ( 2.098 1.789 1.742) 3.261 15.483 ( 7.808 3.067 -2.747) 8.827 16.536 ( -2.662 -10.811 -1.044) 11.182======================= Grid point 872 (337/670) =======================q-point: ( 0.58 0.37 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.950 ( 7.491 22.130 0.375) 23.367 5.955 ( 9.728 9.560 -2.120) 13.803 6.460 ( 2.696 2.093 1.019) 3.562 7.043 ( 18.063 23.994 -0.895) 30.046 7.318 ( 2.519 7.708 0.884) 8.157 9.175 ( 5.676 18.799 0.167) 19.638 12.678 ( 5.129 -6.689 1.312) 8.531 13.494 ( -4.778 -19.184 2.895) 19.981 14.123 ( -19.579 -1.059 -6.671) 20.712 14.877 ( 4.401 7.083 1.747) 8.519 15.580 ( 2.820 0.143 -2.798) 3.975 16.425 ( -1.131 -4.838 0.314) 4.978======================= Grid point 873 (338/670) =======================q-point: ( 0.63 0.37 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.279 ( 8.403 16.519 0.122) 18.534 6.191 ( 6.255 11.843 -1.372) 13.463 6.508 ( 1.702 0.155 0.895) 1.929 7.210 ( 0.417 -5.292 -0.062) 5.309 7.749 ( 17.270 28.488 -0.482) 33.318 9.357 ( 2.314 5.290 -0.692) 5.815 12.674 ( -0.214 -2.968 -1.084) 3.167 13.308 ( 1.663 -17.672 6.197) 18.800 13.781 ( -15.289 -1.756 -6.347) 16.647 15.047 ( 5.128 9.233 1.750) 10.706 15.570 ( -1.606 -1.473 -2.454) 3.282 16.397 ( -0.441 0.393 0.826) 1.016======================= Grid point 874 (339/670) =======================q-point: ( 0.68 0.37 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.531 ( 5.413 10.135 -0.346) 11.495 6.372 ( 0.738 12.786 -0.643) 12.823 6.534 ( 0.813 0.579 0.767) 1.258 7.132 ( 1.136 -10.710 -0.897) 10.808 8.247 ( 7.824 26.993 -0.638) 28.111 9.376 ( 2.974 -7.720 -0.439) 8.284 12.630 ( -0.298 -2.030 -1.521) 2.554 13.175 ( -9.731 -2.427 1.568) 10.151 13.604 ( 4.871 -11.383 -0.397) 12.388 15.221 ( 3.334 8.699 2.103) 9.550 15.504 ( -3.016 -0.694 -2.210) 3.803 16.403 ( -1.506 2.729 0.758) 3.208======================= Grid point 875 (340/670) =======================q-point: (-0.26 0.37 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.635 ( -1.505 4.066 -0.623) 4.380 6.446 ( -3.800 8.323 0.037) 9.150 6.540 ( -3.259 2.925 0.335) 4.392 7.076 ( 5.535 -9.876 -1.131) 11.378 8.452 ( -12.336 20.228 -0.943) 23.712 9.372 ( 9.765 -12.190 -0.007) 15.619 12.650 ( 5.831 -1.665 -0.545) 6.088 12.969 ( -14.964 6.111 -2.087) 16.298 13.677 ( 15.572 -13.454 2.614) 20.744 15.266 ( -6.407 2.503 1.737) 7.095 15.510 ( 3.574 4.001 -1.535) 5.580 16.396 ( -2.829 2.897 0.635) 4.099======================= Grid point 876 (341/670) =======================q-point: (-0.21 0.37 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.547 ( -11.065 -0.040 -0.264) 11.068 6.411 ( -8.234 4.785 0.171) 9.524 6.492 ( -2.675 0.123 -0.320) 2.697 7.116 ( 5.984 -2.956 -0.570) 6.699 8.241 ( -25.844 7.277 -0.623) 26.856 9.439 ( 6.135 -5.623 -0.405) 8.332 12.775 ( 3.772 -2.857 -1.215) 4.885 12.833 ( -0.730 8.839 0.017) 8.869 13.842 ( 15.929 -9.611 0.932) 18.627 15.133 ( -10.055 0.137 1.029) 10.108 15.622 ( 4.655 3.125 -1.000) 5.695 16.371 ( -2.885 1.609 0.633) 3.364======================= Grid point 877 (342/670) =======================q-point: (-0.16 0.37 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.271 ( -20.674 -0.641 0.128) 20.685 6.268 ( -10.966 -0.364 -0.764) 10.999 6.474 ( -0.163 1.196 -0.012) 1.207 7.189 ( 2.705 1.938 0.620) 3.385 7.784 ( -31.520 0.949 -0.526) 31.538 9.404 ( -7.542 -0.527 -0.674) 7.590 12.719 ( -3.414 2.284 -0.147) 4.110 13.104 ( 19.411 2.175 1.163) 19.567 14.018 ( 13.302 -4.979 -2.088) 14.356 14.962 ( -10.111 -0.179 0.902) 10.153 15.695 ( 2.506 -0.527 -1.397) 2.917 16.349 ( 0.096 -0.602 0.592) 0.850======================= Grid point 878 (343/670) =======================q-point: (-0.11 0.37 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.867 ( -27.555 2.652 0.164) 27.682 6.027 ( -14.844 -3.932 -1.724) 15.452 6.502 ( 0.567 2.608 0.380) 2.696 7.180 ( -18.114 -5.391 1.541) 18.962 7.291 ( -15.920 9.703 -0.469) 18.650 9.160 ( -22.722 3.460 0.022) 22.984 12.716 ( 1.526 -0.541 1.684) 2.337 13.501 ( 24.128 1.930 1.327) 24.242 14.171 ( 9.436 -0.603 -5.333) 10.855 14.809 ( -7.939 0.025 1.010) 8.003 15.670 ( -2.317 -4.285 -1.707) 5.162 16.386 ( 6.719 -3.408 -0.064) 7.534======================= Grid point 888 (344/670) =======================q-point: ( 0.42 0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.310 ( -0.000 31.152 -2.722) 31.270 5.226 ( -0.000 4.827 -6.943) 8.456 5.472 ( -0.000 38.416 7.357) 39.114 6.324 ( -0.000 8.711 -6.544) 10.895 7.063 ( -0.000 17.251 2.979) 17.506 8.155 ( -0.000 37.046 7.706) 37.839 12.518 ( 0.000 -13.463 1.714) 13.572 14.576 ( -0.000 -3.686 -2.689) 4.563 14.630 ( 0.000 -6.959 1.408) 7.100 14.913 ( -0.000 4.988 -1.009) 5.089 15.082 ( -0.000 -6.455 -4.044) 7.617 16.760 ( 0.000 -15.939 -3.258) 16.268======================= Grid point 889 (345/670) =======================q-point: ( 0.47 0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.577 ( -0.712 27.802 -3.762) 28.065 5.316 ( 7.996 3.700 -4.553) 9.918 5.911 ( 6.044 36.554 4.277) 37.296 6.391 ( 1.290 6.444 -2.369) 6.986 7.223 ( 0.174 12.355 3.129) 12.746 8.586 ( 3.569 38.789 4.761) 39.243 12.429 ( 3.835 -12.930 2.499) 13.716 14.306 ( -15.556 -11.303 -1.243) 19.269 14.649 ( 3.489 -0.602 1.311) 3.775 14.909 ( -6.258 -3.507 -3.700) 8.071 15.128 ( 10.521 3.516 -3.817) 11.731 16.587 ( -0.566 -15.850 -2.456) 16.049======================= Grid point 890 (346/670) =======================q-point: ( 0.53 0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.816 ( 0.950 23.893 -2.759) 24.071 5.521 ( 13.213 3.676 -3.681) 14.200 6.351 ( 5.040 19.260 2.946) 20.125 6.533 ( 8.370 18.743 0.109) 20.527 7.325 ( -1.150 8.102 2.603) 8.587 9.019 ( 3.568 33.268 2.069) 33.523 12.414 ( 7.489 -11.721 3.051) 14.240 13.898 ( -16.511 -14.640 -0.414) 22.071 14.701 ( -12.541 -1.938 -5.883) 13.987 14.736 ( 3.977 4.385 1.614) 6.136 15.329 ( 10.723 0.973 -3.128) 11.212 16.433 ( 0.331 -12.942 -1.319) 13.013======================= Grid point 891 (347/670) =======================q-point: ( 0.58 0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.061 ( 3.846 19.667 -1.491) 20.095 5.791 ( 15.260 4.178 -2.740) 16.057 6.472 ( 0.414 4.483 2.168) 4.997 7.019 ( 15.302 26.065 2.087) 30.297 7.366 ( -1.046 5.067 0.687) 5.219 9.334 ( 0.170 22.947 0.152) 22.949 12.472 ( 9.973 -9.040 2.816) 13.752 13.488 ( -13.710 -16.117 0.999) 21.183 14.418 ( -17.382 0.265 -6.349) 18.507 14.877 ( 4.864 7.722 1.673) 9.278 15.465 ( 7.522 -2.797 -3.115) 8.608 16.354 ( 2.417 -7.231 -0.158) 7.626======================= Grid point 892 (348/670) =======================q-point: ( 0.63 0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.311 ( 6.024 14.595 -0.645) 15.802 6.088 ( 14.859 5.786 -1.531) 16.019 6.510 ( -0.257 2.138 1.528) 2.640 7.237 ( -5.320 1.004 2.081) 5.801 7.666 ( 20.454 21.066 -0.396) 29.365 9.459 ( -4.764 10.695 -0.744) 11.732 12.579 ( 8.576 -4.015 0.966) 9.519 13.160 ( -6.092 -16.524 3.341) 17.925 14.085 ( -20.223 1.315 -5.724) 21.059 15.055 ( 5.390 9.521 1.541) 11.048 15.510 ( 3.766 -4.912 -2.630) 6.725 16.365 ( 3.523 -1.938 0.349) 4.036======================= Grid point 893 (349/670) =======================q-point: ( 0.68 0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.529 ( 5.917 8.931 -0.208) 10.716 6.379 ( 10.997 7.908 -0.880) 13.574 6.527 ( 1.129 0.825 1.048) 1.748 7.099 ( -7.731 -5.434 0.353) 9.456 8.226 ( 21.258 19.188 0.259) 28.638 9.383 ( -9.092 -1.028 -0.743) 9.180 12.632 ( -1.045 -0.017 -1.599) 1.910 13.048 ( 9.495 -13.029 5.368) 16.992 13.733 ( -20.243 0.767 -4.303) 20.710 15.244 ( 5.139 9.433 1.466) 10.841 15.490 ( 0.623 -4.860 -1.936) 5.269 16.413 ( 2.327 0.503 0.299) 2.399======================= Grid point 894 (350/670) =======================q-point: ( 0.74 0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.665 ( 2.530 3.724 -0.127) 4.504 6.489 ( 0.023 1.015 -0.163) 1.028 6.680 ( 5.199 11.527 0.812) 12.671 6.903 ( -3.901 -11.441 -0.726) 12.110 8.722 ( 12.533 20.421 0.078) 23.960 9.153 ( -7.677 -13.329 -0.332) 15.385 12.589 ( -0.845 -0.592 -0.552) 1.170 13.199 ( 9.983 0.647 2.304) 10.265 13.409 ( -12.341 -5.496 -1.836) 13.634 15.383 ( -2.467 4.478 2.113) 5.532 15.452 ( 4.062 -1.406 -2.171) 4.815 16.441 ( -0.063 0.688 0.177) 0.714======================= Grid point 895 (351/670) =======================q-point: (-0.21 0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.677 ( -3.652 0.572 -0.103) 3.698 6.489 ( -0.590 0.314 0.352) 0.755 6.632 ( -11.267 -1.756 -0.056) 11.403 6.958 ( 10.631 2.101 -0.394) 10.844 8.710 ( -23.291 1.014 0.188) 23.314 9.196 ( 17.418 -0.179 -0.566) 17.428 12.625 ( 5.413 0.631 -0.033) 5.450 13.094 ( -15.601 2.996 0.049) 15.887 13.487 ( 17.662 -3.638 -0.113) 18.033 15.286 ( -7.621 -1.400 0.725) 7.783 15.553 ( 4.903 1.236 -0.768) 5.114 16.423 ( -2.195 -0.581 0.199) 2.279======================= Grid point 896 (352/670) =======================q-point: (-0.16 0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.551 ( -11.786 0.697 -0.159) 11.808 6.411 ( -9.255 -5.005 -0.070) 10.522 6.493 ( -0.839 0.608 -0.009) 1.036 7.141 ( 6.442 5.066 0.524) 8.212 8.263 ( -26.008 -5.134 0.228) 26.511 9.424 ( 5.892 4.812 -1.000) 7.673 12.753 ( 4.232 1.906 -2.088) 5.089 12.933 ( -0.414 -1.816 4.504) 4.874 13.757 ( 14.669 3.136 -3.024) 15.303 15.130 ( -9.493 -1.126 0.892) 9.601 15.614 ( 3.637 -3.071 -1.325) 4.941 16.363 ( -2.772 -2.700 0.364) 3.886======================= Grid point 897 (353/670) =======================q-point: (-0.11 0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.303 ( -19.574 4.010 -0.683) 19.992 6.185 ( -10.830 -6.523 -1.504) 12.732 6.511 ( 1.002 2.060 1.263) 2.616 7.259 ( 0.933 3.122 1.935) 3.789 7.766 ( -27.140 -1.863 -0.288) 27.205 9.462 ( -7.822 6.753 -0.876) 10.371 12.708 ( -2.640 -3.739 1.004) 4.686 13.153 ( 19.267 1.229 2.989) 19.536 14.008 ( 10.872 6.888 -5.614) 14.042 14.962 ( -9.529 -0.391 1.129) 9.604 15.603 ( 1.735 -7.623 -2.093) 8.094 16.296 ( -0.292 -5.071 0.422) 5.097======================= Grid point 908 (354/670) =======================q-point: ( 0.47 0.47 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.818 ( -0.000 23.747 -5.870) 24.462 5.264 ( -0.000 3.084 -3.334) 4.541 6.214 ( -0.000 32.864 3.577) 33.058 6.437 ( -0.000 5.996 0.689) 6.035 7.349 ( 0.000 10.574 3.644) 11.185 8.954 ( -0.000 38.602 3.075) 38.724 12.278 ( 0.000 -12.929 3.112) 13.299 14.424 ( 0.000 -10.108 -0.204) 10.110 14.477 ( 0.000 -8.560 0.819) 8.600 14.992 ( -0.000 1.426 -8.166) 8.289 15.025 ( -0.000 6.125 -0.695) 6.164 16.424 ( 0.000 -16.126 -2.092) 16.261======================= Grid point 909 (355/670) =======================q-point: ( 0.53 0.47 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.007 ( 0.124 19.304 -4.619) 19.850 5.353 ( 8.108 2.689 -2.632) 8.939 6.477 ( -0.936 9.850 2.760) 10.272 6.602 ( 7.664 23.834 1.950) 25.112 7.441 ( -1.593 7.876 3.393) 8.722 9.323 ( 0.328 33.275 1.359) 33.305 12.204 ( 4.497 -12.210 3.570) 13.492 14.062 ( -18.229 -12.027 -0.243) 21.840 14.593 ( 10.336 -4.965 0.539) 11.480 14.903 ( -7.675 5.330 -5.870) 11.035 15.165 ( 7.810 2.211 -2.856) 8.605 16.279 ( 1.449 -13.810 -1.374) 13.953======================= Grid point 910 (356/670) =======================q-point: ( 0.58 0.47 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.178 ( 1.869 15.255 -2.407) 15.556 5.558 ( 13.885 2.288 -1.811) 14.188 6.537 ( -1.059 5.209 2.613) 5.923 7.016 ( 13.342 21.641 1.821) 25.489 7.463 ( -4.028 4.301 2.158) 6.276 9.590 ( -2.621 23.792 -0.018) 23.936 12.222 ( 9.091 -10.119 3.581) 14.066 13.630 ( -18.467 -11.767 0.045) 21.897 14.615 ( -6.117 -1.509 -4.150) 7.545 14.891 ( 1.988 8.773 -0.225) 8.998 15.283 ( 7.760 -3.236 -3.339) 9.046 16.214 ( 4.443 -8.594 -0.507) 9.688======================= Grid point 911 (357/670) =======================q-point: ( 0.63 0.47 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.348 ( 3.871 10.625 -0.986) 11.351 5.843 ( 17.148 2.645 -0.509) 17.358 6.560 ( -1.709 2.823 1.674) 3.700 7.381 ( -6.294 4.143 3.754) 8.419 7.494 ( 17.984 12.086 -1.081) 21.695 9.683 ( -7.396 12.757 -0.686) 14.762 12.339 ( 12.856 -6.338 2.871) 14.618 13.233 ( -15.758 -9.959 0.759) 18.657 14.398 ( -16.266 1.732 -4.771) 17.039 15.062 ( 5.486 9.780 1.403) 11.301 15.344 ( 7.079 -6.939 -2.971) 10.348 16.252 ( 6.492 -3.395 -0.113) 7.327======================= Grid point 912 (358/670) =======================q-point: ( 0.68 0.47 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.503 ( 5.249 5.458 -0.073) 7.573 6.168 ( 17.747 2.968 0.000) 17.994 6.548 ( -1.934 0.395 0.684) 2.089 7.239 ( -10.328 -1.257 0.999) 10.452 7.967 ( 23.530 8.374 0.775) 24.988 9.593 ( -12.185 3.889 -0.560) 12.803 12.540 ( 13.577 -0.748 0.961) 13.632 12.928 ( -9.627 -8.443 2.094) 12.975 14.092 ( -20.396 2.704 -3.543) 20.877 15.244 ( 4.966 7.307 0.293) 8.840 15.380 ( 5.511 -5.165 -1.020) 7.621 16.340 ( 5.866 -0.856 -0.198) 5.931======================= Grid point 913 (359/670) =======================q-point: (-0.26 -0.53 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.621 ( 4.931 0.440 0.267) 4.957 6.467 ( 11.512 1.556 -1.176) 11.676 6.529 ( 3.591 -2.005 0.928) 4.216 7.043 ( -11.706 0.127 0.805) 11.734 8.428 ( 25.261 -0.312 0.491) 25.268 9.369 ( -16.113 1.367 0.097) 16.172 12.663 ( -5.498 4.344 -1.203) 7.110 12.878 ( 15.911 -7.278 2.996) 17.751 13.754 ( -21.574 3.576 -1.816) 21.944 15.333 ( 4.815 -5.789 -2.367) 7.893 15.449 ( 1.656 6.310 2.214) 6.889 16.413 ( 3.289 -0.628 -0.341) 3.366======================= Grid point 914 (360/670) =======================q-point: (-0.21 -0.53 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.673 ( 2.654 -2.947 0.207) 3.971 6.495 ( 0.020 0.036 -0.109) 0.116 6.637 ( 3.906 -11.822 -0.614) 12.466 6.945 ( -2.305 11.174 0.865) 11.442 8.714 ( 13.082 -19.623 -0.250) 23.585 9.180 ( -8.536 14.400 0.821) 16.760 12.620 ( -1.989 3.963 0.493) 4.461 13.105 ( 12.395 -7.897 -1.177) 14.744 13.478 ( -13.995 10.058 0.846) 17.255 15.308 ( 0.966 -7.093 -1.362) 7.287 15.530 ( 0.262 4.412 1.444) 4.650 16.429 ( 0.077 -1.900 -0.330) 1.930======================= Grid point 915 (361/670) =======================q-point: (-0.16 0.47 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.656 ( -1.456 -2.776 0.147) 3.138 6.470 ( -5.958 -10.317 0.527) 11.925 6.504 ( 0.002 0.100 -0.600) 0.609 7.106 ( 5.384 9.480 0.162) 10.903 8.481 ( -11.065 -18.946 0.186) 21.942 9.369 ( 7.728 12.548 -0.029) 14.737 12.693 ( 4.501 6.284 0.453) 7.743 12.989 ( -8.142 -10.450 -0.163) 13.249 13.615 ( 9.284 13.575 -0.275) 16.448 15.225 ( -3.412 -4.863 -0.204) 5.944 15.546 ( -0.286 -1.792 0.177) 1.823 16.377 ( -2.502 -4.008 -0.119) 4.726======================= Grid point 916 (362/670) =======================q-point: (-0.11 0.47 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.566 ( -8.124 0.625 -0.430) 8.159 6.259 ( -7.420 -8.889 -0.607) 11.595 6.518 ( 0.619 1.317 0.712) 1.620 7.263 ( 3.615 5.609 0.716) 6.712 8.084 ( -17.052 -11.737 0.070) 20.701 9.574 ( 2.789 9.621 -0.547) 10.032 12.744 ( -7.317 -6.416 -0.811) 9.765 12.914 ( 12.424 3.716 2.651) 13.236 13.913 ( 10.079 13.103 -2.406) 16.705 15.104 ( -6.886 -2.014 0.787) 7.218 15.490 ( 0.014 -8.389 -1.194) 8.473 16.275 ( -3.207 -6.271 0.219) 7.047======================= Grid point 928 (363/670) =======================q-point: ( 0.53 0.53 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.155 ( -0.000 14.772 -3.886) 15.275 5.301 ( -0.000 2.234 -1.118) 2.498 6.565 ( 0.000 5.242 2.765) 5.926 6.771 ( -0.000 21.856 1.502) 21.907 7.538 ( 0.000 6.249 3.495) 7.160 9.633 ( -0.000 28.615 0.411) 28.618 12.061 ( 0.000 -11.625 3.879) 12.255 14.229 ( 0.000 -8.421 -0.843) 8.463 14.331 ( 0.000 -6.546 0.746) 6.588 14.999 ( -0.000 4.153 -7.353) 8.445 15.123 ( -0.000 4.294 -0.960) 4.400 16.128 ( 0.000 -12.389 -1.093) 12.437======================= Grid point 929 (364/670) =======================q-point: ( 0.58 0.53 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.276 ( 0.748 10.818 -1.578) 10.958 5.387 ( 7.928 1.973 0.036) 8.170 6.609 ( -0.959 3.688 2.315) 4.459 7.018 ( 7.504 14.662 0.693) 16.485 7.574 ( -2.892 3.424 2.805) 5.288 9.853 ( -2.542 19.703 -0.490) 19.873 12.014 ( 5.279 -9.355 3.851) 11.411 13.869 ( -20.345 -6.951 -0.361) 21.503 14.512 ( 13.081 -2.878 -0.326) 13.398 14.982 ( -3.196 5.764 -4.833) 8.173 15.173 ( 2.100 0.576 -2.106) 3.029 16.055 ( 3.848 -7.995 -0.584) 8.892======================= Grid point 930 (365/670) =======================q-point: ( 0.63 0.53 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.378 ( 2.075 6.055 -0.502) 6.421 5.600 ( 13.884 2.613 1.905) 14.256 6.617 ( -1.716 1.045 1.283) 2.384 7.305 ( 13.827 6.083 -0.616) 15.119 7.528 ( -5.696 1.360 2.761) 6.475 9.913 ( -6.610 8.967 -0.919) 11.178 12.088 ( 10.498 -5.467 3.394) 12.313 13.470 ( -19.839 -4.181 -0.091) 20.275 14.589 ( -4.078 1.090 -2.645) 4.981 15.047 ( 6.528 5.918 -0.692) 8.838 15.183 ( 1.928 -2.895 -2.448) 4.253 16.098 ( 7.269 -3.025 -0.402) 7.883======================= Grid point 931 (366/670) =======================q-point: (-0.32 -0.47 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.461 ( 3.591 1.157 0.435) 3.798 5.897 ( 16.851 2.276 2.279) 17.156 6.581 ( -2.201 -1.727 0.159) 2.802 7.372 ( -6.035 -3.573 -1.140) 7.105 7.658 ( 17.456 1.626 2.583) 17.721 9.810 ( -10.093 0.516 -0.666) 10.128 12.278 ( 14.495 -1.522 2.521) 14.791 13.133 ( -17.242 -0.311 0.233) 17.246 14.419 ( -15.594 3.048 -2.691) 16.116 15.169 ( 5.226 -8.106 -2.643) 10.000 15.267 ( 7.417 9.321 1.559) 12.014 16.212 ( 7.801 -0.434 -0.602) 7.836======================= Grid point 932 (367/670) =======================q-point: (-0.26 -0.47 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.519 ( 4.746 -4.369 0.670) 6.486 6.202 ( 16.351 -0.085 1.371) 16.408 6.523 ( -1.495 -2.826 -0.394) 3.222 7.215 ( -8.303 -1.357 0.010) 8.413 7.980 ( 22.405 -7.727 1.307) 23.736 9.609 ( -11.559 -2.297 0.099) 11.785 12.547 ( 16.596 0.237 1.428) 16.660 12.893 ( -13.464 4.587 0.323) 14.227 14.139 ( -19.944 3.730 -1.416) 20.339 15.168 ( 5.282 -8.486 -2.218) 10.239 15.469 ( 5.006 7.988 2.013) 9.639 16.326 ( 5.806 -0.199 -0.805) 5.865======================= Grid point 933 (368/670) =======================q-point: (-0.21 -0.47 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.541 ( 5.698 -9.108 0.314) 10.748 6.412 ( 10.399 -6.258 0.198) 12.138 6.488 ( 0.208 -1.560 -0.152) 1.581 7.105 ( -5.404 4.694 0.454) 7.173 8.230 ( 20.407 -18.565 0.432) 27.591 9.424 ( -8.573 1.986 0.967) 8.853 12.733 ( -1.336 -0.927 2.603) 3.069 12.863 ( 7.520 8.840 -2.759) 11.929 13.845 ( -18.730 5.983 0.758) 19.677 15.162 ( 4.877 -9.042 -1.797) 10.429 15.589 ( 0.371 5.486 2.064) 5.873 16.386 ( 2.411 -1.519 -0.822) 2.966======================= Grid point 934 (369/670) =======================q-point: (-0.16 -0.47 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.549 ( 6.449 -9.985 0.321) 11.891 6.408 ( 0.301 -11.498 0.494) 11.513 6.495 ( 1.083 0.366 -0.441) 1.225 7.146 ( 1.329 8.774 -0.305) 8.880 8.264 ( 8.788 -25.253 0.005) 26.738 9.413 ( 1.409 7.443 1.121) 7.657 12.729 ( -0.396 3.743 2.554) 4.548 12.983 ( -1.088 0.588 -5.233) 5.377 13.723 ( -4.768 12.879 3.407) 14.149 15.141 ( 3.510 -8.741 -1.337) 9.514 15.598 ( -4.148 1.297 1.791) 4.701 16.368 ( -1.203 -3.656 -0.616) 3.898======================= Grid point 948 (370/670) =======================q-point: ( 0.58 0.58 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.335 ( 0.000 1.379 0.660) 1.529 5.361 ( -0.000 7.661 1.519) 7.810 6.648 ( 0.000 0.975 1.589) 1.865 7.061 ( -0.000 7.057 -0.113) 7.058 7.630 ( 0.000 0.822 2.270) 2.414 10.026 ( -0.000 10.870 -1.090) 10.924 11.903 ( 0.000 -6.425 3.788) 7.459 14.113 ( -0.000 -2.407 -1.173) 2.677 14.245 ( 0.000 -2.561 0.873) 2.706 15.038 ( -0.000 4.179 -5.231) 6.696 15.173 ( -0.000 1.590 -1.388) 2.111 15.953 ( 0.000 -4.535 -0.372) 4.550======================= Grid point 949 (371/670) =======================q-point: (-0.37 -0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.377 ( 2.298 0.877 0.264) 2.474 5.473 ( 5.981 4.269 4.938) 8.853 6.638 ( -0.938 -2.131 0.583) 2.400 7.149 ( 7.030 -1.306 -0.905) 7.207 7.607 ( -2.712 -1.740 1.840) 3.711 10.044 ( -3.588 -0.163 -1.401) 3.855 11.923 ( 5.724 -1.896 3.421) 6.933 13.802 ( -21.207 0.492 -0.240) 21.214 14.486 ( 14.541 0.340 -0.117) 14.545 15.035 ( -2.159 2.286 -3.873) 4.989 15.177 ( 0.157 1.585 -1.229) 2.012 15.973 ( 4.757 0.186 -0.372) 4.775======================= Grid point 950 (372/670) =======================q-point: (-0.32 -0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.408 ( 1.984 -2.900 1.095) 3.681 5.683 ( 12.441 2.407 5.140) 13.674 6.581 ( -1.588 -4.831 -0.496) 5.110 7.246 ( 10.014 -9.329 -2.254) 13.870 7.547 ( -1.124 -2.766 2.843) 4.123 9.907 ( -6.052 -8.938 -1.160) 10.856 12.075 ( 10.481 2.073 2.809) 11.047 13.475 ( -20.147 4.681 0.036) 20.684 14.615 ( -2.528 2.699 -1.239) 3.900 15.001 ( 2.164 -5.574 -2.512) 6.486 15.254 ( 5.090 6.954 0.234) 8.621 16.091 ( 6.841 2.905 -0.732) 7.468======================= Grid point 951 (373/670) =======================q-point: (-0.26 -0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.390 ( 2.604 -9.557 1.014) 9.957 5.948 ( 14.773 0.180 3.702) 15.231 6.504 ( -1.013 -4.924 -0.903) 5.108 7.247 ( 1.727 -8.327 -1.668) 8.667 7.586 ( 11.572 -10.057 2.714) 15.570 9.689 ( -6.125 -12.631 -0.462) 14.046 12.318 ( 13.231 3.861 2.018) 13.930 13.227 ( -17.245 9.594 0.221) 19.736 14.473 ( -15.379 3.620 -1.256) 15.849 14.986 ( 4.968 -8.770 -1.842) 10.246 15.449 ( 7.361 7.744 1.374) 10.772 16.231 ( 5.961 3.212 -1.023) 6.848======================= Grid point 952 (374/670) =======================q-point: (-0.21 -0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.325 ( 4.928 -16.077 0.036) 16.815 6.174 ( 12.160 -4.364 1.910) 13.060 6.462 ( 0.583 -2.089 -0.370) 2.200 7.188 ( -1.302 -1.588 -0.154) 2.059 7.706 ( 18.062 -20.402 1.366) 27.283 9.486 ( -3.232 -11.074 0.370) 11.542 12.576 ( 11.746 2.191 1.068) 11.996 13.097 ( -11.949 15.389 -0.040) 19.483 14.212 ( -18.400 4.017 0.135) 18.834 14.980 ( 5.214 -9.005 -1.547) 10.520 15.619 ( 3.732 5.386 1.826) 6.802 16.331 ( 3.087 1.869 -1.055) 3.760======================= Grid point 953 (375/670) =======================q-point: (-0.16 -0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.272 ( 9.376 -18.074 -0.165) 20.362 6.257 ( 5.272 -10.154 1.223) 11.507 6.475 ( 1.546 0.590 -0.270) 1.677 7.196 ( 0.821 4.091 -0.687) 4.229 7.778 ( 17.012 -27.018 0.698) 31.935 9.395 ( 2.994 -6.629 0.898) 7.329 12.716 ( 3.628 -0.713 0.458) 3.726 13.122 ( -5.973 17.837 -2.171) 18.935 13.991 ( -12.695 7.447 3.166) 15.055 14.973 ( 4.881 -8.936 -1.311) 10.266 15.678 ( -1.855 1.768 2.011) 3.258 16.356 ( -0.697 -0.373 -0.835) 1.150======================= Grid point 968 (376/670) =======================q-point: (-0.37 -0.37 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.361 ( 0.000 0.417 1.781) 1.829 5.474 ( 0.000 0.548 6.413) 6.437 6.612 ( 0.000 -4.900 -0.185) 4.904 7.035 ( 0.000 -9.186 -1.197) 9.264 7.601 ( 0.000 -4.701 1.120) 4.833 10.010 ( 0.000 -11.586 -1.760) 11.719 11.891 ( 0.000 2.847 3.214) 4.294 14.123 ( -0.000 3.967 -0.820) 4.051 14.248 ( 0.000 2.150 0.989) 2.367 15.084 ( -0.000 3.316 -3.067) 4.517 15.165 ( -0.000 -1.276 -1.724) 2.144 15.959 ( -0.000 5.330 -0.325) 5.340======================= Grid point 969 (377/670) =======================q-point: (-0.32 -0.37 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.361 ( -0.470 -3.958 2.038) 4.476 5.546 ( 7.482 -1.942 6.732) 10.251 6.545 ( -1.128 -6.158 -0.731) 6.303 6.965 ( 7.008 -16.146 -1.366) 17.654 7.536 ( -1.360 -6.296 1.278) 6.566 9.824 ( -1.939 -20.773 -1.709) 20.934 11.994 ( 5.206 6.477 2.883) 8.796 13.883 ( -20.411 7.624 0.146) 21.789 14.517 ( 13.476 2.612 0.009) 13.727 15.021 ( -6.436 -1.033 -2.451) 6.964 15.210 ( 5.402 2.014 -0.996) 5.850 16.059 ( 3.163 8.852 -0.656) 9.423======================= Grid point 970 (378/670) =======================q-point: (-0.26 -0.37 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.264 ( -1.173 -13.932 1.350) 14.047 5.722 ( 12.780 -2.648 4.676) 13.864 6.466 ( -0.902 -4.896 -0.386) 4.993 6.951 ( 12.198 -19.374 -0.614) 22.902 7.453 ( -0.785 -7.853 1.640) 8.061 9.560 ( -1.126 -25.315 -1.268) 25.372 12.197 ( 8.874 8.079 2.448) 12.248 13.646 ( -19.058 12.359 0.475) 22.719 14.663 ( -0.168 2.639 -0.924) 2.801 14.873 ( -4.608 -5.654 -1.710) 7.492 15.370 ( 9.375 4.155 0.307) 10.259 16.208 ( 3.418 9.784 -0.947) 10.408======================= Grid point 971 (379/670) =======================q-point: (-0.21 -0.37 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.080 ( 1.284 -22.643 -0.667) 22.689 5.922 ( 13.118 -5.571 2.422) 14.456 6.432 ( 0.811 -1.954 0.735) 2.240 6.995 ( 14.571 -17.696 0.896) 22.940 7.371 ( 1.550 -11.410 1.102) 11.567 9.315 ( 2.358 -25.249 -0.668) 25.368 12.445 ( 9.809 7.519 1.678) 12.473 13.495 ( -15.722 17.096 0.786) 23.239 14.531 ( -15.346 2.821 -0.968) 15.634 14.813 ( 4.183 -7.588 -1.107) 8.735 15.564 ( 8.214 2.665 1.053) 8.699 16.339 ( 1.293 8.895 -0.880) 9.031======================= Grid point 972 (380/670) =======================q-point: (-0.16 -0.37 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.907 ( 7.774 -25.579 -1.380) 26.770 6.041 ( 9.003 -10.745 1.309) 14.079 6.454 ( 2.041 0.347 0.935) 2.271 7.111 ( 15.256 -11.167 1.437) 18.961 7.285 ( 4.545 -17.439 -0.161) 18.022 9.166 ( 7.963 -22.020 -0.204) 23.416 12.650 ( 5.925 4.753 0.243) 7.599 13.461 ( -10.943 21.066 0.533) 23.744 14.290 ( -14.984 3.451 1.119) 15.417 14.811 ( 4.241 -7.058 -1.066) 8.303 15.680 ( 3.443 -0.680 1.402) 3.779 16.406 ( -2.351 6.818 -0.486) 7.229======================= Grid point 988 (381/670) =======================q-point: (-0.32 -0.32 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.370 ( 0.000 -1.045 1.718) 2.010 5.414 ( 0.000 -13.446 6.733) 15.037 6.505 ( 0.000 -3.783 0.254) 3.792 6.702 ( 0.000 -23.522 -1.327) 23.560 7.480 ( 0.000 -8.193 1.187) 8.278 9.576 ( 0.000 -30.741 -1.986) 30.805 12.041 ( 0.000 9.647 2.893) 10.071 14.246 ( -0.000 8.738 -0.385) 8.746 14.336 ( -0.000 5.834 0.946) 5.910 15.103 ( -0.000 -3.665 -1.787) 4.077 15.119 ( -0.000 1.814 -1.629) 2.438 16.144 ( -0.000 13.639 -0.816) 13.663======================= Grid point 989 (382/670) =======================q-point: (-0.26 -0.32 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.170 ( -5.843 -19.766 1.773) 20.687 5.489 ( 11.079 -6.051 2.839) 12.939 6.427 ( -0.693 -12.520 0.657) 12.556 6.570 ( 8.062 -15.158 1.099) 17.204 7.391 ( -0.766 -9.455 1.441) 9.595 9.244 ( 1.355 -36.567 -1.934) 36.643 12.190 ( 4.235 11.089 2.845) 12.207 14.088 ( -17.773 12.658 0.602) 21.829 14.575 ( 9.129 3.038 -0.292) 9.626 14.970 ( -7.711 -2.437 -1.914) 8.310 15.229 ( 9.044 0.359 -0.634) 9.073 16.296 ( 0.881 15.579 -1.011) 15.637======================= Grid point 990 (383/670) =======================q-point: (-0.21 -0.32 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.844 ( -3.625 -28.933 -1.659) 29.206 5.639 ( 13.193 -8.261 1.045) 15.601 6.324 ( 7.081 -18.571 1.884) 19.964 6.615 ( 7.752 -6.629 3.540) 10.796 7.284 ( -0.899 -10.251 1.098) 10.349 8.928 ( 5.696 -38.035 -1.736) 38.498 12.404 ( 6.668 11.001 2.508) 13.106 13.943 ( -16.588 16.925 1.211) 23.729 14.677 ( 3.704 -1.531 -0.969) 4.124 14.782 ( -11.574 -1.426 -1.969) 11.826 15.410 ( 11.116 -0.332 0.330) 11.126 16.452 ( -0.424 15.421 -0.813) 15.448======================= Grid point 991 (384/670) =======================q-point: (-0.16 -0.32 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.521 ( 3.185 -32.249 -3.148) 32.559 5.747 ( 11.943 -14.605 -0.099) 18.866 6.325 ( 11.220 -15.339 2.775) 19.206 6.711 ( 8.972 -6.273 4.381) 11.792 7.177 ( -0.155 -9.297 -0.302) 9.303 8.706 ( 12.018 -36.040 -1.626) 38.026 12.621 ( 5.733 9.272 1.399) 10.990 13.875 ( -13.245 20.165 1.934) 24.203 14.552 ( -13.226 -0.307 -1.183) 13.283 14.699 ( 2.199 -2.710 -1.204) 3.692 15.561 ( 8.150 -3.338 0.693) 8.835 16.561 ( -3.636 13.824 -0.163) 14.295======================= Grid point 1008 (385/670) =======================q-point: (-0.26 -0.26 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.006 ( 0.000 -30.570 1.554) 30.609 5.319 ( -0.000 -5.825 -1.417) 5.994 6.148 ( 0.000 -31.074 1.251) 31.099 6.527 ( 0.000 4.075 4.593) 6.140 7.301 ( 0.000 -11.364 1.796) 11.505 8.824 ( 0.000 -44.076 -2.338) 44.138 12.282 ( 0.000 12.615 3.158) 13.004 14.441 ( -0.000 10.972 -0.058) 10.972 14.473 ( -0.000 7.235 0.692) 7.268 15.007 ( -0.000 -4.773 -1.468) 4.993 15.127 ( -0.000 0.063 -1.608) 1.609 16.454 ( -0.000 18.293 -1.202) 18.333======================= Grid point 1009 (386/670) =======================q-point: (-0.21 -0.26 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.615 ( -6.139 -35.174 -2.305) 35.781 5.320 ( 10.817 -14.972 -3.893) 18.877 5.933 ( 7.486 -26.715 4.762) 28.149 6.603 ( 0.619 5.888 6.203) 8.575 7.187 ( -0.151 -12.892 1.822) 13.021 8.405 ( 4.971 -47.224 -2.692) 47.561 12.448 ( 3.212 12.930 3.212) 13.705 14.365 ( -13.685 14.642 1.236) 20.080 14.615 ( 2.355 0.940 -0.299) 2.553 14.912 ( -5.642 -1.414 -2.967) 6.530 15.214 ( 9.887 -1.518 -0.374) 10.010 16.628 ( -0.675 18.676 -1.050) 18.717======================= Grid point 1010 (387/670) =======================q-point: (-0.16 -0.26 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.160 ( -2.482 -37.668 -4.821) 38.056 5.321 ( 14.686 -26.755 -4.115) 30.797 5.916 ( 13.024 -17.784 6.225) 22.905 6.694 ( 0.424 5.821 6.767) 8.936 7.067 ( 0.716 -12.918 0.855) 12.966 8.080 ( 12.408 -46.544 -3.274) 48.281 12.648 ( 4.250 12.040 2.606) 13.031 14.291 ( -13.405 16.241 2.829) 21.248 14.616 ( -0.316 -2.526 -0.045) 2.546 14.775 ( -8.646 1.977 -4.852) 10.110 15.368 ( 10.148 -4.008 0.412) 10.918 16.774 ( -3.023 17.546 -0.348) 17.807======================= Grid point 1028 (388/670) =======================q-point: (-0.21 -0.21 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.305 ( 0.000 -39.568 -2.883) 39.672 4.978 ( -0.000 -28.682 -9.476) 30.206 5.680 ( 0.000 -16.436 8.276) 18.402 6.692 ( 0.000 7.337 8.104) 10.932 7.052 ( 0.000 -16.352 2.686) 16.572 7.863 ( 0.000 -51.116 -4.041) 51.276 12.564 ( 0.000 13.724 3.612) 14.192 14.598 ( -0.000 4.048 -0.034) 4.049 14.654 ( -0.000 10.367 0.561) 10.382 14.923 ( -0.000 -1.869 -0.484) 1.931 15.099 ( -0.000 -1.224 -3.142) 3.372 16.817 ( -0.000 19.360 -1.124) 19.393======================= Grid point 1029 (389/670) =======================q-point: (-0.16 -0.21 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.833 ( -5.702 -41.269 -5.460) 42.018 4.734 ( 12.841 -37.878 -8.085) 40.804 5.645 ( 6.581 -9.893 7.899) 14.268 6.783 ( 0.019 3.680 9.774) 10.444 6.900 ( 1.595 -18.476 3.533) 18.878 7.417 ( 7.183 -47.734 -7.070) 48.786 12.730 ( 2.076 13.542 3.445) 14.127 14.592 ( -4.676 -2.631 1.106) 5.478 14.660 ( -6.271 13.280 1.670) 14.781 14.887 ( -4.620 1.770 -5.357) 7.292 15.168 ( 8.892 -2.712 -0.594) 9.315 16.988 ( -1.517 18.511 -0.654) 18.585======================= Grid point 1048 (390/670) =======================q-point: (-0.16 -0.16 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.467 ( 0.000 -42.824 -5.525) 43.179 4.181 ( -0.000 -42.577 -10.230) 43.789 5.538 ( 0.000 -6.834 7.545) 10.180 6.534 ( 0.000 -48.474 7.586) 49.064 6.853 ( 0.000 -14.934 11.427) 18.804 7.015 ( -0.000 -4.999 -12.016) 13.015 12.861 ( 0.000 14.133 3.724) 14.616 14.589 ( -0.000 -3.920 -0.963) 4.037 14.838 ( 0.000 7.192 2.272) 7.542 14.969 ( -0.000 5.794 0.825) 5.853 15.039 ( -0.000 -1.459 -6.187) 6.357 17.176 ( -0.000 17.771 -0.585) 17.781======================= Grid point 1149 (391/670) =======================q-point: ( 0.16 0.16 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 670Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.929 ( 0.000 -0.000 28.344) 28.344 0.929 ( 0.000 -0.000 28.344) 28.344 1.570 ( 0.000 -0.000 48.107) 48.107 5.154 ( -0.000 0.000 -5.621) 5.621 5.154 ( -0.000 0.000 -5.621) 5.621 8.930 ( -0.000 0.000 -11.689) 11.689 14.209 ( 0.000 -0.000 0.488) 0.488 14.209 ( 0.000 -0.000 0.488) 0.488 14.984 ( 0.000 -0.000 4.934) 4.934 15.482 ( 0.000 0.000 -0.124) 0.124 15.482 ( 0.000 -0.000 -0.124) 0.124 16.144 ( -0.000 0.000 -1.938) 1.938======================= Grid point 1150 (392/670) =======================q-point: ( 0.21 0.16 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.061 ( 13.231 7.639 22.288) 27.021 1.374 ( 9.998 5.772 32.384) 34.380 2.114 ( 37.244 21.503 29.449) 52.122 5.189 ( 3.383 1.953 -5.185) 6.492 5.287 ( 12.520 7.228 -8.723) 16.885 8.268 ( -33.281 -19.215 8.211) 39.297 14.087 ( -10.304 -5.949 0.903) 11.932 14.222 ( 1.396 0.806 0.387) 1.658 14.640 ( -13.883 -8.015 0.996) 16.061 15.282 ( 1.045 0.604 13.105) 13.161 15.469 ( -1.766 -1.020 0.109) 2.043 17.130 ( 35.669 20.593 -25.883) 48.644======================= Grid point 1151 (393/670) =======================q-point: ( 0.26 0.16 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.592 ( 26.923 15.544 13.685) 33.966 1.683 ( 10.535 6.082 30.482) 32.820 3.199 ( 49.300 28.463 11.931) 58.163 5.268 ( 5.132 2.963 -4.595) 7.499 5.595 ( 16.930 9.775 -6.824) 20.706 7.758 ( -16.075 -9.281 5.627) 19.396 13.824 ( -12.440 -7.182 1.235) 14.418 14.274 ( 3.040 1.755 0.355) 3.528 14.451 ( -4.449 -2.569 -6.622) 8.381 15.384 ( 2.407 1.390 12.826) 13.124 15.404 ( -4.020 -2.321 0.188) 4.646 17.491 ( 7.576 4.374 -16.924) 19.051======================= Grid point 1152 (394/670) =======================q-point: ( 0.32 0.16 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.105 ( 19.324 11.157 20.532) 30.322 2.319 ( 33.593 19.395 8.895) 39.797 4.339 ( 49.214 28.414 1.002) 56.837 5.384 ( 6.476 3.739 -3.940) 8.452 5.994 ( 19.823 11.445 -2.452) 23.021 7.520 ( -7.206 -4.160 3.558) 9.049 13.556 ( -11.620 -6.709 1.108) 13.463 14.357 ( -1.584 -0.915 -9.377) 9.554 14.360 ( 4.457 2.573 0.448) 5.166 15.292 ( -5.888 -3.400 0.083) 6.800 15.439 ( -1.628 -0.940 11.118) 11.276 17.465 ( -4.440 -2.563 -10.932) 12.074======================= Grid point 1153 (395/670) =======================q-point: ( 0.37 0.16 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.683 ( 26.739 15.438 10.980) 32.769 3.136 ( 36.150 20.871 6.155) 42.194 5.375 ( 42.802 24.711 -8.411) 50.133 5.531 ( 7.767 4.484 -3.232) 9.533 6.461 ( 21.606 12.474 2.323) 25.056 7.456 ( 0.624 0.360 5.509) 5.556 13.310 ( -10.636 -6.141 0.915) 12.315 14.312 ( 0.408 0.236 -9.407) 9.418 14.474 ( 5.415 3.126 0.726) 6.294 15.144 ( -7.197 -4.155 -0.221) 8.313 15.376 ( -7.020 -4.053 7.906) 11.324 17.252 ( -11.100 -6.409 -7.359) 14.780======================= Grid point 1154 (396/670) =======================q-point: ( 0.42 0.16 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.358 ( 30.529 17.626 4.042) 35.483 3.953 ( 34.102 19.689 4.064) 39.587 5.719 ( 10.051 5.803 -2.316) 11.835 6.135 ( 26.825 15.488 -12.436) 33.379 6.957 ( 20.369 11.760 2.347) 23.637 7.643 ( 15.678 9.052 9.423) 20.409 13.081 ( -10.058 -5.807 0.598) 11.629 14.309 ( 1.814 1.047 -7.440) 7.729 14.602 ( 5.440 3.141 1.285) 6.411 14.973 ( -7.603 -4.390 -0.779) 8.814 15.181 ( -11.877 -6.857 3.515) 14.158 16.940 ( -14.373 -8.298 -4.336) 17.153======================= Grid point 1155 (397/670) =======================q-point: ( 0.47 0.16 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.060 ( 30.897 17.838 -0.657) 35.682 4.650 ( 25.858 14.929 1.798) 29.913 5.987 ( 14.809 8.550 -0.878) 17.123 6.513 ( 11.540 6.662 -7.677) 15.378 7.340 ( 13.740 7.933 0.382) 15.870 8.225 ( 30.656 17.699 7.194) 36.122 12.857 ( -10.015 -5.782 0.054) 11.565 14.336 ( 2.036 1.176 -3.372) 4.111 14.690 ( -0.792 -0.457 1.817) 2.034 14.833 ( -1.796 -1.037 -1.260) 2.427 14.886 ( -13.892 -8.020 -1.473) 16.108 16.597 ( -14.796 -8.543 -1.539) 17.155======================= Grid point 1156 (398/670) =======================q-point: ( 0.53 0.16 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.721 ( 28.103 16.225 -3.914) 32.686 5.102 ( 14.364 8.293 -0.452) 16.593 6.376 ( 18.884 10.902 0.700) 21.816 6.665 ( 4.591 2.650 -3.018) 6.100 7.599 ( 9.200 5.312 -0.018) 10.623 8.948 ( 30.322 17.506 3.380) 35.175 12.627 ( -10.373 -5.989 -0.904) 12.012 14.331 ( -4.814 -2.780 2.770) 6.211 14.568 ( -7.109 -4.105 -0.379) 8.218 14.622 ( -5.250 -3.031 -6.212) 8.680 14.897 ( 4.314 2.491 1.032) 5.087 16.279 ( -13.051 -7.535 0.495) 15.078======================= Grid point 1157 (399/670) =======================q-point: ( 0.58 0.16 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.273 ( 22.079 12.748 -6.244) 26.249 5.327 ( 6.817 3.936 -1.664) 8.046 6.718 ( 0.738 0.426 -0.430) 0.954 6.778 ( 15.122 8.731 1.357) 17.514 7.748 ( 4.143 2.392 -0.952) 4.878 9.558 ( 22.188 12.810 2.066) 25.703 12.389 ( -10.034 -5.793 -2.503) 11.853 14.148 ( -8.814 -5.089 1.771) 10.330 14.419 ( -5.490 -3.170 -1.150) 6.443 14.632 ( 4.611 2.662 -1.675) 5.582 14.989 ( 3.165 1.827 1.914) 4.126 16.027 ( -9.381 -5.416 1.528) 10.940======================= Grid point 1158 (400/670) =======================q-point: ( 0.63 0.16 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.423 ( 2.706 1.562 -1.984) 3.701 5.647 ( 12.842 7.414 -7.380) 16.564 6.695 ( -2.877 -1.661 0.775) 3.411 7.015 ( 4.864 2.808 1.282) 5.761 7.780 ( -0.657 -0.379 -2.229) 2.355 9.919 ( 8.368 4.831 2.112) 9.891 12.184 ( -6.311 -3.643 -4.441) 8.533 14.023 ( -2.397 -1.384 1.685) 3.240 14.325 ( -2.237 -1.291 -1.561) 3.018 14.755 ( 5.664 3.270 2.567) 7.026 15.047 ( 1.282 0.740 2.417) 2.834 15.884 ( -3.506 -2.024 1.938) 4.488======================= Grid point 1159 (401/670) =======================q-point: (-0.32 0.16 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.444 ( -0.198 -0.115 -1.595) 1.611 5.771 ( -0.751 -0.433 -5.615) 5.681 6.609 ( -3.958 -2.285 -0.190) 4.575 6.987 ( -7.697 -4.444 0.751) 8.919 7.713 ( -4.177 -2.412 -3.540) 5.983 9.917 ( -9.407 -5.431 2.067) 11.057 12.105 ( 1.107 0.639 -5.740) 5.881 14.053 ( 4.181 2.414 2.167) 5.292 14.312 ( 1.587 0.916 -1.734) 2.523 14.889 ( 4.794 2.768 5.005) 7.463 15.061 ( -0.771 -0.445 2.625) 2.772 15.896 ( 4.128 2.383 2.262) 5.276======================= Grid point 1160 (402/670) =======================q-point: (-0.26 0.16 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.402 ( -3.407 -1.967 -0.175) 3.938 5.545 ( -18.084 -10.441 -0.826) 20.898 6.564 ( 1.038 0.600 -3.380) 3.587 6.686 ( -18.536 -10.702 -0.457) 21.408 7.574 ( -6.973 -4.026 -4.371) 9.162 9.521 ( -25.829 -14.912 1.265) 29.852 12.186 ( 7.363 4.251 -5.862) 10.327 14.207 ( 8.462 4.886 2.013) 9.976 14.379 ( 4.636 2.676 -1.690) 5.613 14.995 ( 2.874 1.659 5.825) 6.704 15.032 ( -2.579 -1.489 2.520) 3.901 16.083 ( 11.424 6.596 2.759) 13.476======================= Grid point 1161 (403/670) =======================q-point: (-0.21 0.16 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.998 ( -29.661 -17.125 2.234) 34.322 5.266 ( -10.331 -5.965 3.390) 12.402 6.200 ( -22.421 -12.945 -3.383) 26.110 6.626 ( 5.329 3.077 -4.487) 7.616 7.368 ( -10.014 -5.782 -4.454) 12.391 8.795 ( -38.244 -22.080 0.293) 44.161 12.372 ( 10.472 6.046 -5.269) 13.190 14.426 ( 10.049 5.802 1.444) 11.693 14.495 ( 5.754 3.322 -1.395) 6.789 14.969 ( -3.405 -1.966 2.050) 4.434 15.054 ( 0.620 0.358 5.191) 5.240 16.408 ( 16.073 9.280 3.044) 18.808======================= Grid point 1162 (404/670) =======================q-point: (-0.16 0.16 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.270 ( -35.274 -20.366 3.825) 40.910 4.884 ( -26.591 -15.352 8.562) 31.876 5.762 ( -13.082 -7.553 -7.460) 16.848 6.760 ( 7.653 4.419 -4.768) 10.041 7.088 ( -13.808 -7.972 -4.336) 16.523 7.837 ( -46.085 -26.607 0.804) 53.220 12.606 ( 11.689 6.748 -4.495) 14.226 14.599 ( 2.834 1.636 -0.408) 3.298 14.653 ( 9.494 5.482 0.858) 10.997 14.917 ( -0.808 -0.467 0.806) 1.233 15.060 ( -1.324 -0.764 4.095) 4.371 16.799 ( 17.255 9.962 2.407) 20.069======================= Grid point 1169 (405/670) =======================q-point: ( 0.21 0.21 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.334 ( 0.000 24.383 22.451) 33.145 1.504 ( 0.000 26.276 22.814) 34.798 2.103 ( 0.000 24.462 36.051) 43.567 5.098 ( -0.000 0.375 -7.095) 7.105 5.315 ( -0.000 16.179 -7.335) 17.764 8.284 ( 0.000 -37.379 4.774) 37.683 14.040 ( 0.000 -15.785 0.901) 15.811 14.240 ( 0.000 2.385 0.646) 2.471 14.707 ( 0.000 -11.097 0.837) 11.128 15.371 ( 0.000 2.515 13.836) 14.062 15.438 ( 0.000 -3.466 -0.331) 3.482 17.013 ( -0.000 39.658 -24.429) 46.578======================= Grid point 1170 (406/670) =======================q-point: ( 0.26 0.21 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.671 ( 4.506 31.493 16.682) 35.922 1.790 ( -1.557 15.993 29.997) 34.030 2.857 ( 34.082 37.800 16.473) 53.496 5.151 ( 7.203 0.807 -6.649) 9.836 5.510 ( 6.392 17.596 -6.856) 19.936 7.875 ( -11.064 -21.013 4.914) 24.251 13.851 ( -3.837 -15.765 0.971) 16.254 14.252 ( -1.123 1.492 -1.002) 2.119 14.576 ( -6.518 1.679 -2.788) 7.285 15.327 ( -2.007 -5.242 4.899) 7.450 15.501 ( 0.700 2.810 8.744) 9.211 17.342 ( 10.107 13.534 -19.528) 25.820======================= Grid point 1171 (407/670) =======================q-point: ( 0.32 0.21 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.063 ( 7.133 13.284 26.731) 30.690 2.228 ( 15.709 36.359 10.639) 41.012 3.909 ( 40.367 38.112 3.369) 55.618 5.284 ( 8.337 3.180 -5.293) 10.374 5.824 ( 13.530 16.236 -4.060) 21.521 7.588 ( -6.952 -9.909 3.219) 12.525 13.628 ( -6.470 -12.356 1.063) 13.988 14.222 ( 0.284 -2.996 -5.414) 6.194 14.530 ( -5.265 10.376 -1.932) 11.794 15.255 ( 0.253 -9.244 1.625) 9.389 15.535 ( -3.177 0.973 10.422) 10.939 17.441 ( 0.862 0.782 -13.227) 13.278======================= Grid point 1172 (408/670) =======================q-point: ( 0.37 0.21 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.488 ( 17.324 15.603 17.775) 29.318 2.952 ( 23.337 36.593 7.307) 44.012 4.925 ( 38.568 31.832 -6.623) 50.445 5.456 ( 8.206 7.856 -4.366) 12.170 6.245 ( 19.084 14.333 0.571) 23.874 7.466 ( -1.209 -3.224 4.151) 5.394 13.405 ( -8.035 -8.826 0.900) 11.969 14.185 ( 3.060 -4.923 -8.042) 9.913 14.566 ( -3.433 11.851 0.135) 12.339 15.162 ( -1.661 -8.136 -0.091) 8.304 15.473 ( -6.238 -4.439 8.906) 11.745 17.325 ( -7.089 -4.702 -8.875) 12.294======================= Grid point 1173 (409/670) =======================q-point: ( 0.42 0.21 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.057 ( 25.203 16.836 9.610) 31.796 3.743 ( 25.563 35.044 5.051) 43.670 5.580 ( 14.537 7.112 -5.539) 17.106 5.835 ( 24.139 24.827 -10.869) 36.293 6.732 ( 21.079 12.974 2.617) 24.890 7.543 ( 8.593 5.045 7.581) 12.521 13.191 ( -9.089 -6.197 0.404) 11.008 14.181 ( 5.529 -5.008 -7.763) 10.766 14.632 ( -1.103 8.462 1.632) 8.689 15.033 ( -5.659 -6.360 -0.347) 8.520 15.309 ( -8.745 -6.938 4.711) 12.117 17.074 ( -12.171 -7.221 -5.435) 15.160======================= Grid point 1174 (410/670) =======================q-point: ( 0.47 0.21 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.707 ( 29.116 16.515 3.720) 33.680 4.485 ( 21.633 30.229 2.875) 37.283 5.851 ( 12.460 10.300 -2.962) 16.435 6.331 ( 16.070 11.919 -9.901) 22.324 7.163 ( 16.272 8.289 0.054) 18.262 7.959 ( 24.030 16.981 8.237) 30.555 12.978 ( -9.994 -4.623 -0.381) 11.018 14.220 ( 7.195 -4.539 -5.330) 10.039 14.694 ( 0.727 2.689 2.243) 3.577 14.813 ( -9.819 -13.297 1.222) 16.574 15.125 ( -9.905 2.889 -1.113) 10.378 16.759 ( -14.290 -7.844 -2.344) 16.469======================= Grid point 1175 (411/670) =======================q-point: ( 0.53 0.21 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.361 ( 29.118 14.589 -0.241) 32.569 5.034 ( 12.199 21.784 0.105) 24.967 6.215 ( 16.223 15.909 -0.827) 22.737 6.574 ( 8.090 3.931 -5.030) 10.305 7.461 ( 12.325 4.364 -0.536) 13.086 8.635 ( 29.292 19.742 4.238) 35.577 12.758 ( -10.946 -3.792 -1.385) 11.667 14.293 ( 7.109 -3.859 -0.895) 8.138 14.463 ( -9.736 -20.862 -0.573) 23.030 14.728 ( -0.121 0.660 1.370) 1.526 15.034 ( -8.940 11.650 -2.052) 14.827 16.441 ( -13.952 -6.791 0.064) 15.517======================= Grid point 1176 (412/670) =======================q-point: ( 0.58 0.21 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.942 ( 24.873 10.454 -2.736) 27.118 5.343 ( 4.839 15.680 -2.393) 16.584 6.655 ( 14.433 16.358 1.079) 21.841 6.680 ( 4.213 1.274 -2.222) 4.931 7.658 ( 8.095 1.233 -1.263) 8.285 9.291 ( 25.739 15.141 2.153) 29.940 12.525 ( -11.842 -3.022 -2.693) 12.515 14.099 ( -6.529 -21.678 0.683) 22.650 14.384 ( 6.765 -4.074 0.379) 7.906 14.732 ( -3.633 7.698 -0.736) 8.544 15.022 ( -3.911 7.672 0.384) 8.620 16.170 ( -11.889 -4.003 1.389) 12.621======================= Grid point 1177 (413/670) =======================q-point: ( 0.63 0.21 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.330 ( 12.111 4.010 -2.761) 13.052 5.551 ( 6.179 13.877 -5.415) 16.127 6.702 ( 0.104 -1.855 -0.016) 1.858 6.995 ( 6.645 12.242 1.210) 13.982 7.746 ( 3.085 -1.133 -2.316) 4.021 9.771 ( 16.353 7.130 1.963) 17.948 12.295 ( -10.897 -1.141 -4.292) 11.767 13.851 ( 1.943 -20.467 0.534) 20.566 14.440 ( 1.015 1.423 1.393) 2.235 14.773 ( -1.983 10.793 0.424) 10.982 15.042 ( 0.315 1.580 2.137) 2.676 15.985 ( -8.193 0.099 1.830) 8.395======================= Grid point 1178 (414/670) =======================q-point: (-0.32 0.21 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.443 ( 1.046 2.069 -2.063) 3.104 5.744 ( 4.248 7.359 -6.831) 10.902 6.645 ( -3.531 -3.865 0.699) 5.281 7.100 ( -4.737 4.787 1.038) 6.814 7.729 ( -1.761 -2.577 -3.246) 4.503 9.956 ( 1.199 -2.555 2.203) 3.580 12.139 ( -5.503 2.713 -5.550) 8.273 13.778 ( 10.757 -17.161 0.885) 20.273 14.470 ( -3.025 8.359 0.690) 8.916 14.857 ( 1.383 4.718 2.946) 5.731 15.080 ( 1.325 1.822 2.882) 3.658 15.921 ( -2.300 4.154 1.967) 5.139======================= Grid point 1179 (415/670) =======================q-point: (-0.26 0.21 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.417 ( -3.544 -3.003 -1.230) 4.806 5.734 ( -8.743 1.407 -4.099) 9.758 6.547 ( -2.277 -3.361 -1.120) 4.212 6.938 ( -16.591 -0.876 0.238) 16.616 7.622 ( -5.309 -4.197 -3.820) 7.771 9.764 ( -16.672 -11.188 1.823) 20.160 12.138 ( 1.985 6.640 -5.753) 9.007 13.875 ( 17.260 -12.920 0.716) 21.572 14.513 ( -3.192 10.663 0.406) 11.138 14.911 ( 2.937 -4.108 4.004) 6.444 15.140 ( -1.084 7.488 3.095) 8.175 16.010 ( 5.655 7.114 2.244) 9.361======================= Grid point 1180 (416/670) =======================q-point: (-0.21 0.21 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.176 ( -15.831 -17.888 1.156) 23.915 5.523 ( -15.387 4.947 -0.258) 16.165 6.460 ( -13.217 -6.722 -2.412) 15.023 6.613 ( -9.464 2.060 -2.772) 10.074 7.448 ( -7.915 -5.852 -3.852) 10.570 9.212 ( -32.344 -16.782 1.049) 36.454 12.275 ( 7.048 8.551 -5.114) 12.205 14.094 ( 20.248 -8.281 0.007) 21.876 14.568 ( -1.478 8.241 0.364) 8.380 14.906 ( 2.153 -7.961 4.085) 9.203 15.195 ( -4.139 9.993 2.500) 11.101 16.258 ( 12.950 8.873 2.534) 15.902======================= Grid point 1181 (417/670) =======================q-point: (-0.16 0.21 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.585 ( -28.180 -24.370 3.475) 37.418 5.276 ( -22.451 1.252 4.601) 22.952 5.987 ( -23.836 -5.533 -5.364) 25.051 6.662 ( 6.091 3.801 -5.059) 8.783 7.213 ( -11.082 -7.036 -3.304) 13.536 8.385 ( -44.151 -19.645 1.103) 48.337 12.487 ( 9.503 8.906 -4.254) 13.701 14.376 ( 19.731 -3.864 -0.889) 20.125 14.613 ( -0.133 2.548 0.124) 2.555 14.874 ( 1.638 -6.792 4.317) 8.213 15.205 ( -6.376 8.944 1.294) 11.060 16.611 ( 16.744 9.185 2.136) 19.217======================= Grid point 1189 (418/670) =======================q-point: ( 0.26 0.26 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.924 ( 0.000 19.862 23.310) 30.624 2.218 ( 0.000 32.545 16.964) 36.701 3.011 ( 0.000 48.325 15.073) 50.622 5.071 ( -0.000 2.134 -7.625) 7.918 5.622 ( -0.000 19.444 -6.098) 20.378 7.762 ( 0.000 -20.583 3.467) 20.873 13.711 ( 0.000 -17.317 0.233) 17.318 14.309 ( -0.000 4.214 0.681) 4.268 14.591 ( -0.000 -1.695 -5.080) 5.355 15.346 ( 0.000 -5.679 -0.316) 5.687 15.528 ( 0.000 1.628 14.341) 14.433 17.330 ( -0.000 12.543 -17.755) 21.739======================= Grid point 1190 (419/670) =======================q-point: ( 0.32 0.26 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.229 ( 3.210 18.553 22.631) 29.439 2.552 ( -2.018 39.282 13.343) 41.536 3.782 ( 24.695 48.623 4.483) 54.719 5.143 ( 8.072 3.169 -6.674) 10.943 5.833 ( 4.968 19.115 -4.584) 20.275 7.572 ( -3.171 -12.687 2.900) 13.395 13.542 ( -0.655 -16.099 0.379) 16.117 14.268 ( -7.099 2.083 -3.427) 8.153 14.627 ( 3.829 5.056 -3.215) 7.111 15.216 ( -5.475 -7.170 1.102) 9.089 15.592 ( 0.241 -2.193 11.592) 11.800 17.385 ( 1.923 3.371 -13.623) 14.165======================= Grid point 1191 (420/670) =======================q-point: ( 0.37 0.26 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.550 ( 5.230 20.222 19.660) 28.685 3.076 ( 11.329 42.698 8.418) 44.971 4.681 ( 28.241 39.852 -6.119) 49.226 5.349 ( 12.161 8.396 -4.963) 15.589 6.135 ( 11.423 16.981 -0.967) 20.489 7.457 ( -0.960 -5.264 4.019) 6.692 13.383 ( -1.507 -13.302 0.993) 13.424 14.148 ( -5.251 0.255 -7.362) 9.046 14.737 ( -0.779 11.051 -0.283) 11.082 15.076 ( -0.894 -9.590 0.397) 9.639 15.546 ( -4.707 -6.898 9.029) 12.299 17.337 ( -2.996 -3.308 -9.668) 10.649======================= Grid point 1192 (421/670) =======================q-point: ( 0.42 0.26 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.963 ( 12.791 21.789 13.632) 28.709 3.774 ( 18.145 42.218 5.755) 46.312 5.347 ( 20.065 15.317 -9.518) 26.978 5.723 ( 16.324 24.463 -8.735) 30.679 6.543 ( 17.608 14.939 2.683) 23.247 7.491 ( 5.305 3.158 6.890) 9.252 13.234 ( -3.619 -9.531 1.260) 10.272 14.062 ( -0.632 -1.731 -8.511) 8.708 14.775 ( -5.372 6.524 2.172) 8.726 15.018 ( 1.024 -4.802 -0.485) 4.934 15.378 ( -7.255 -9.689 5.196) 13.173 17.160 ( -8.395 -6.829 -6.301) 12.522======================= Grid point 1193 (422/670) =======================q-point: ( 0.47 0.26 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.489 ( 19.841 21.255 7.976) 30.151 4.501 ( 17.958 38.402 3.845) 42.567 5.710 ( 15.257 10.617 -6.062) 19.551 6.175 ( 14.256 17.169 -10.816) 24.799 6.975 ( 16.142 10.228 0.705) 19.122 7.798 ( 17.602 15.954 8.501) 25.231 13.077 ( -6.632 -5.987 0.566) 8.952 14.039 ( 4.505 -4.076 -7.238) 9.450 14.735 ( -2.725 -0.856 1.810) 3.382 14.880 ( -10.931 -11.214 3.665) 16.083 15.252 ( -2.618 2.630 -1.339) 3.945 16.896 ( -11.866 -8.011 -3.261) 14.684======================= Grid point 1194 (423/670) =======================q-point: ( 0.53 0.26 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.078 ( 23.562 19.124 3.749) 30.577 5.092 ( 10.808 29.006 1.127) 30.975 6.101 ( 17.341 18.208 -3.285) 25.358 6.452 ( 9.296 6.493 -6.494) 13.067 7.283 ( 12.805 4.333 -0.482) 13.527 8.390 ( 25.119 21.656 4.899) 33.525 12.896 ( -9.271 -3.541 -0.855) 9.961 14.081 ( 8.424 -5.897 -4.674) 11.295 14.484 ( -14.129 -20.009 2.381) 24.611 14.738 ( -0.298 0.484 2.346) 2.414 15.260 ( -4.911 10.308 -2.412) 11.670 16.603 ( -12.822 -7.067 -0.673) 14.656======================= Grid point 1195 (424/670) =======================q-point: ( 0.58 0.26 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.655 ( 23.025 15.650 0.773) 27.851 5.439 ( 3.607 19.834 -1.795) 20.239 6.587 ( 10.219 8.236 -0.244) 13.127 6.609 ( 11.775 16.771 -3.387) 20.770 7.499 ( 10.553 0.189 -1.299) 10.634 9.025 ( 24.770 17.416 2.047) 30.349 12.692 ( -11.076 -1.673 -2.407) 11.457 14.026 ( -10.211 -21.113 -2.611) 23.598 14.194 ( 8.207 -7.926 3.133) 11.832 14.781 ( 2.112 3.783 1.302) 4.524 15.244 ( -8.501 10.505 -1.682) 13.618 16.340 ( -11.692 -3.864 1.020) 12.356======================= Grid point 1196 (425/670) =======================q-point: ( 0.63 0.26 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.132 ( 17.377 10.757 -1.249) 20.475 5.631 ( 0.773 15.763 -3.644) 16.197 6.658 ( 2.840 -1.577 -0.917) 3.376 7.037 ( 8.024 20.523 0.917) 22.055 7.634 ( 7.416 -1.947 -2.741) 8.142 9.543 ( 19.871 8.945 1.416) 21.837 12.479 ( -12.072 0.785 -3.932) 12.720 13.664 ( -5.035 -21.753 -0.292) 22.330 14.303 ( 10.200 -6.467 3.201) 12.494 14.888 ( 3.043 8.175 1.017) 8.782 15.168 ( -9.877 7.121 -0.355) 12.181 16.150 ( -9.458 0.860 1.649) 9.639======================= Grid point 1197 (426/670) =======================q-point: ( 0.68 0.26 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.410 ( 6.540 5.477 -2.060) 8.776 5.771 ( 1.085 12.840 -5.117) 13.864 6.649 ( -0.916 -3.535 0.367) 3.670 7.241 ( -2.339 10.678 1.578) 11.045 7.695 ( 2.396 -0.663 -3.873) 4.602 9.849 ( 10.049 -0.572 1.746) 10.216 12.294 ( -10.250 4.490 -5.150) 12.319 13.463 ( 5.051 -18.918 0.410) 19.585 14.423 ( 9.164 -5.119 3.819) 11.170 15.024 ( -5.234 13.574 -0.246) 14.551 15.077 ( -0.495 1.011 2.468) 2.713 16.051 ( -6.332 5.015 1.685) 8.251======================= Grid point 1198 (427/670) =======================q-point: (-0.26 0.26 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.457 ( -3.062 0.065 -1.788) 3.547 5.854 ( -2.675 8.741 -5.007) 10.422 6.564 ( -3.935 -4.444 0.524) 5.959 7.197 ( -11.152 3.864 0.754) 11.827 7.656 ( -4.389 -1.669 -3.772) 6.023 9.858 ( -4.867 -8.520 1.776) 9.972 12.212 ( -4.303 8.488 -5.416) 10.949 13.468 ( 14.397 -14.598 0.514) 20.510 14.535 ( 7.295 -3.306 3.664) 8.808 14.936 ( -7.422 1.386 1.120) 7.633 15.222 ( 2.880 10.907 2.106) 11.475 16.052 ( -1.123 7.345 1.688) 7.619======================= Grid point 1199 (428/670) =======================q-point: (-0.21 0.26 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.280 ( -12.852 -9.948 -0.099) 16.253 5.800 ( -10.775 7.204 -2.467) 13.194 6.479 ( -1.420 -2.238 -1.665) 3.130 6.951 ( -21.188 2.107 -0.568) 21.300 7.504 ( -7.355 -5.174 -3.202) 9.546 9.533 ( -21.498 -12.901 1.274) 25.104 12.273 ( 2.056 10.614 -4.698) 11.788 13.652 ( 20.792 -9.802 -0.055) 22.987 14.624 ( 4.271 -1.049 2.996) 5.321 14.833 ( -3.638 -4.421 1.831) 6.010 15.358 ( -1.190 11.797 1.411) 11.941 16.178 ( 6.712 8.092 1.813) 10.668======================= Grid point 1200 (429/670) =======================q-point: (-0.16 0.26 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.822 ( -24.412 -18.674 2.544) 30.841 5.643 ( -15.650 6.600 0.151) 16.985 6.349 ( -18.963 -2.542 -2.881) 19.349 6.652 ( -7.329 3.905 -3.436) 8.987 7.302 ( -8.614 -6.609 -2.279) 11.094 8.913 ( -36.263 -14.039 1.129) 38.902 12.436 ( 6.109 10.676 -3.621) 12.822 13.954 ( 23.358 -5.480 -1.004) 24.013 14.667 ( -1.905 2.209 1.178) 3.146 14.754 ( 3.155 -10.358 3.218) 11.296 15.409 ( -5.731 9.989 0.429) 11.524 16.439 ( 13.731 7.758 1.537) 15.846======================= Grid point 1209 (430/670) =======================q-point: ( 0.32 0.32 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.475 ( 0.000 22.968 17.854) 29.091 2.998 ( 0.000 37.263 11.778) 39.080 4.102 ( -0.000 55.810 2.531) 55.867 5.075 ( -0.000 3.386 -6.987) 7.765 5.967 ( -0.000 19.200 -4.235) 19.662 7.492 ( 0.000 -9.888 3.384) 10.451 13.382 ( 0.000 -16.510 -0.024) 16.510 14.411 ( -0.000 5.741 0.673) 5.780 14.543 ( -0.000 1.192 -7.612) 7.705 15.217 ( 0.000 -7.242 -0.197) 7.245 15.592 ( 0.000 -4.771 11.927) 12.846 17.352 ( -0.000 1.324 -11.816) 11.890======================= Grid point 1210 (431/670) =======================q-point: ( 0.37 0.32 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.781 ( 1.454 24.870 14.673) 28.912 3.418 ( 2.431 41.631 9.110) 42.686 4.742 ( 11.162 46.530 -5.638) 48.181 5.200 ( 12.348 9.131 -4.953) 16.136 6.172 ( 4.450 17.821 -1.957) 18.473 7.432 ( -0.030 -3.973 5.058) 6.432 13.236 ( 1.309 -15.442 0.417) 15.503 14.295 ( -11.241 3.919 -5.138) 12.966 14.711 ( 11.159 5.249 -2.679) 12.620 15.080 ( -6.578 -7.064 0.552) 9.668 15.554 ( -1.972 -9.034 8.926) 12.852 17.303 ( -0.949 -3.506 -9.158) 9.852======================= Grid point 1211 (432/670) =======================q-point: ( 0.42 0.32 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.114 ( 3.694 26.205 11.664) 28.920 3.979 ( 10.662 44.230 6.742) 45.994 5.189 ( 12.262 15.536 -9.463) 21.937 5.664 ( 17.132 29.066 -9.038) 34.929 6.467 ( 10.818 16.924 2.369) 20.225 7.476 ( 3.544 4.310 7.542) 9.381 13.130 ( 2.242 -13.366 1.295) 13.614 14.133 ( -9.369 3.304 -7.482) 12.437 14.894 ( -1.862 -9.205 0.294) 9.396 14.940 ( 3.333 9.350 0.370) 9.933 15.400 ( -6.078 -12.471 5.020) 14.754 17.177 ( -4.492 -7.480 -6.501) 10.881======================= Grid point 1212 (433/670) =======================q-point: ( 0.47 0.32 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.510 ( 9.125 26.220 8.243) 28.960 4.644 ( 13.966 42.484 5.524) 45.060 5.512 ( 16.375 10.223 -8.345) 21.030 6.106 ( 10.918 19.275 -11.343) 24.888 6.847 ( 12.919 13.758 2.090) 18.988 7.734 ( 12.456 16.952 8.772) 22.792 13.051 ( 1.016 -10.378 1.862) 10.593 13.999 ( -5.419 0.834 -7.979) 9.681 14.757 ( -3.468 -6.918 1.039) 7.808 14.979 ( -9.080 -7.147 4.811) 12.517 15.266 ( 2.298 1.639 -2.112) 3.525 16.968 ( -8.004 -9.303 -3.940) 12.889======================= Grid point 1213 (434/670) =======================q-point: ( 0.53 0.32 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.983 ( 14.656 24.380 5.194) 28.917 5.235 ( 8.765 32.244 3.308) 33.578 5.934 ( 21.641 18.128 -6.142) 28.891 6.360 ( 7.686 9.015 -7.246) 13.887 7.138 ( 9.896 6.400 0.618) 11.802 8.252 ( 19.686 24.142 5.421) 31.619 12.959 ( -2.979 -6.830 1.047) 7.524 13.925 ( 1.186 -3.130 -6.067) 6.929 14.541 ( -13.210 -17.585 1.535) 22.048 14.769 ( -3.303 -2.278 2.764) 4.872 15.374 ( 1.567 8.994 -2.421) 9.445 16.716 ( -9.820 -8.621 -1.536) 13.157======================= Grid point 1214 (435/670) =======================q-point: ( 0.58 0.32 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.495 ( 17.540 21.012 2.830) 27.517 5.584 ( 2.914 20.971 -0.447) 21.178 6.475 ( 11.660 7.881 -0.810) 14.097 6.562 ( 15.634 22.825 -5.347) 28.178 7.328 ( 8.733 0.629 -0.161) 8.757 8.830 ( 20.387 20.114 2.001) 28.709 12.822 ( -7.069 -3.538 -0.929) 7.959 13.935 ( 5.865 -5.706 -4.474) 9.326 14.093 ( -14.769 -21.443 3.209) 26.234 14.783 ( 2.031 3.222 1.660) 4.154 15.438 ( -3.626 8.617 -2.085) 9.579 16.480 ( -9.462 -5.209 0.366) 10.808======================= Grid point 1215 (436/670) =======================q-point: ( 0.63 0.32 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.976 ( 16.241 16.336 0.896) 23.053 5.781 ( -0.162 17.072 -2.249) 17.220 6.580 ( 4.142 -0.861 -1.174) 4.391 7.113 ( 11.977 27.948 -0.279) 30.407 7.453 ( 9.046 -3.360 -2.246) 9.908 9.314 ( 18.193 10.735 0.765) 21.138 12.658 ( -9.137 -0.085 -2.750) 9.543 13.620 ( -13.812 -18.475 -1.554) 23.120 14.040 ( 11.833 -10.232 3.273) 15.982 14.893 ( 4.325 6.678 1.478) 8.092 15.402 ( -8.417 6.665 -1.512) 10.843 16.311 ( -7.917 0.036 1.301) 8.023======================= Grid point 1216 (437/670) =======================q-point: ( 0.68 0.32 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.336 ( 10.110 10.492 -0.786) 14.592 5.909 ( -2.062 15.345 -3.049) 15.780 6.610 ( 1.716 -2.683 -0.217) 3.192 7.366 ( -0.510 4.618 2.094) 5.096 7.634 ( 7.517 12.064 -4.664) 14.960 9.644 ( 13.765 0.430 0.945) 13.804 12.505 ( -9.999 4.717 -4.145) 11.807 13.275 ( -4.841 -17.506 -0.469) 18.169 14.165 ( 13.034 -10.442 4.321) 17.251 15.054 ( 5.013 7.510 1.957) 9.239 15.294 ( -10.406 6.391 -1.086) 12.260 16.217 ( -6.572 4.428 1.422) 8.051======================= Grid point 1217 (438/670) =======================q-point: (-0.26 0.32 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.494 ( 0.429 3.984 -1.646) 4.332 5.993 ( -3.259 13.232 -3.410) 14.047 6.578 ( -1.911 -3.896 0.554) 4.375 7.337 ( -2.931 -2.871 0.854) 4.190 7.763 ( -5.590 11.514 -3.656) 13.311 9.779 ( 5.248 -7.284 1.208) 9.058 12.398 ( -8.605 9.603 -4.732) 13.735 13.137 ( 7.298 -14.593 0.190) 16.317 14.298 ( 12.838 -10.436 4.412) 17.122 15.099 ( -7.646 0.819 1.717) 7.879 15.293 ( 1.842 12.699 -0.238) 12.834 16.181 ( -4.651 6.625 1.345) 8.206======================= Grid point 1218 (439/670) =======================q-point: (-0.21 0.32 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.410 ( -10.249 -3.657 -0.881) 10.918 6.019 ( -6.686 10.504 -2.840) 12.771 6.493 ( -3.192 -2.853 0.072) 4.281 7.231 ( -8.011 -0.982 -0.008) 8.071 7.645 ( -14.645 3.333 -2.913) 15.300 9.674 ( -8.042 -10.617 0.925) 13.351 12.382 ( -3.762 11.868 -4.039) 13.089 13.230 ( 17.245 -9.817 -0.023) 19.843 14.420 ( 11.793 -10.453 3.715) 16.190 14.954 ( -9.577 0.227 1.110) 9.643 15.461 ( 2.606 11.382 0.196) 11.678 16.206 ( -0.301 6.875 1.343) 7.011======================= Grid point 1219 (440/670) =======================q-point: (-0.16 0.32 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.070 ( -21.255 -10.915 1.125) 23.920 5.942 ( -11.959 7.757 -1.455) 14.329 6.445 ( -1.081 -0.060 -1.633) 1.959 7.007 ( -21.253 4.306 -1.303) 21.723 7.385 ( -11.463 -5.107 -1.663) 12.659 9.308 ( -23.423 -10.264 0.660) 25.582 12.468 ( 1.463 11.399 -2.713) 11.808 13.503 ( 23.063 -4.886 -0.759) 23.587 14.512 ( 10.081 -11.004 2.671) 15.161 14.803 ( -8.403 -0.165 0.755) 8.438 15.571 ( -1.931 8.875 -0.272) 9.087 16.329 ( 7.269 5.815 1.138) 9.378======================= Grid point 1229 (441/670) =======================q-point: ( 0.37 0.37 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.072 ( 0.000 28.346 9.621) 29.934 3.824 ( -0.000 40.694 6.794) 41.257 5.106 ( -0.000 4.019 -4.889) 6.329 5.158 ( -0.000 52.182 -6.359) 52.568 6.301 ( -0.000 17.271 -0.919) 17.296 7.433 ( 0.000 0.801 6.961) 7.007 13.072 ( 0.000 -15.407 0.481) 15.415 14.532 ( -0.000 3.150 -8.155) 8.742 14.538 ( -0.000 6.627 0.753) 6.670 15.066 ( 0.000 -8.058 -0.203) 8.060 15.505 ( 0.000 -10.830 7.391) 13.112 17.237 ( -0.000 -5.987 -7.730) 9.777======================= Grid point 1230 (442/670) =======================q-point: ( 0.42 0.37 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.387 ( 0.544 29.478 6.365) 30.162 4.291 ( 5.639 42.677 4.843) 43.319 5.152 ( 3.483 7.478 -5.031) 9.663 5.706 ( 10.740 37.396 -10.566) 40.317 6.515 ( 5.072 18.390 2.633) 19.257 7.518 ( 2.117 8.883 8.848) 12.715 12.950 ( 2.568 -14.427 1.173) 14.701 14.349 ( -12.863 5.305 -5.928) 15.124 14.761 ( 8.198 -0.289 -0.808) 8.242 14.979 ( 0.027 -2.069 -0.206) 2.080 15.376 ( -3.982 -13.411 4.131) 14.587 17.126 ( -1.784 -9.249 -6.015) 11.176======================= Grid point 1231 (443/670) =======================q-point: ( 0.47 0.37 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.714 ( 2.455 29.222 4.391) 29.652 4.877 ( 11.166 43.375 5.182) 45.088 5.330 ( 11.346 7.397 -6.693) 15.108 6.101 ( 7.558 19.870 -10.792) 23.841 6.829 ( 8.132 17.320 3.085) 19.381 7.774 ( 8.165 20.958 9.025) 24.236 12.885 ( 4.651 -12.901 2.112) 13.876 14.156 ( -12.484 3.332 -6.769) 14.586 14.730 ( -1.811 -7.752 1.217) 8.053 15.054 ( -3.822 -4.561 3.532) 6.920 15.202 ( 3.351 -2.347 -3.116) 5.143 16.956 ( -4.185 -11.320 -4.180) 12.773======================= Grid point 1232 (444/670) =======================q-point: ( 0.53 0.37 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.079 ( 6.581 27.679 3.078) 28.617 5.429 ( 5.708 27.179 5.439) 28.300 5.707 ( 23.731 22.025 -7.557) 33.247 6.317 ( 5.575 9.936 -6.506) 13.119 7.089 ( 5.825 9.821 1.831) 11.565 8.240 ( 13.851 27.965 5.651) 31.715 12.859 ( 4.496 -10.746 2.539) 11.922 13.955 ( -9.149 -1.882 -5.549) 10.864 14.593 ( -8.686 -10.245 0.219) 13.434 14.816 ( -6.534 -7.157 1.769) 9.852 15.370 ( 7.145 7.186 -2.563) 10.452 16.747 ( -5.871 -10.976 -2.234) 12.647======================= Grid point 1233 (445/670) =======================q-point: ( 0.58 0.37 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.491 ( 10.708 24.664 2.157) 26.974 5.712 ( 4.779 15.837 0.009) 16.543 6.349 ( 17.257 18.082 0.003) 24.995 6.499 ( 12.175 18.029 -5.685) 22.486 7.242 ( 4.147 3.846 1.292) 5.801 8.756 ( 14.328 23.854 2.061) 27.902 12.826 ( 0.763 -7.594 1.385) 7.757 13.800 ( -0.961 -8.730 -1.258) 8.873 14.215 ( -18.371 -13.088 -2.736) 22.722 14.787 ( 1.755 2.625 1.681) 3.577 15.511 ( 2.512 5.892 -2.276) 6.798 16.548 ( -5.872 -7.603 -0.403) 9.615======================= Grid point 1234 (446/670) =======================q-point: ( 0.63 0.37 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.916 ( 12.410 20.237 1.333) 23.777 5.923 ( 2.603 15.222 -1.207) 15.490 6.506 ( 3.758 0.541 -0.362) 3.814 7.117 ( 21.195 29.273 -3.101) 36.273 7.318 ( 2.554 0.178 0.971) 2.738 9.171 ( 12.391 13.576 0.299) 18.383 12.743 ( -3.651 -3.946 -0.792) 5.434 13.707 ( -5.522 -20.731 5.953) 22.265 13.808 ( -6.111 -3.636 -6.598) 9.700 14.893 ( 4.185 6.851 1.470) 8.161 15.544 ( -2.976 3.485 -1.956) 4.983 16.413 ( -4.641 -2.014 0.760) 5.116======================= Grid point 1235 (447/670) =======================q-point: ( 0.68 0.37 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.285 ( 10.066 14.538 0.293) 17.685 6.085 ( -0.703 15.636 -1.387) 15.714 6.552 ( 2.382 -1.326 -0.163) 2.731 7.311 ( 3.043 -7.711 -0.679) 8.318 7.690 ( 10.812 29.281 -1.646) 31.257 9.438 ( 10.743 1.438 0.132) 10.840 12.644 ( -4.462 0.034 -2.068) 4.918 13.311 ( -15.836 -11.510 -1.475) 19.632 13.842 ( 12.242 -12.268 3.136) 17.612 15.056 ( 4.971 8.653 1.607) 10.108 15.480 ( -6.650 2.504 -1.499) 7.263 16.349 ( -4.101 2.664 1.043) 5.001======================= Grid point 1236 (448/670) =======================q-point: ( 0.74 0.37 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.514 ( 3.454 7.991 -0.801) 8.742 6.190 ( -4.025 15.034 -1.349) 15.622 6.558 ( 0.361 -2.414 0.172) 2.447 7.268 ( 2.455 -9.377 -0.658) 9.715 8.013 ( -3.117 23.358 -1.993) 23.649 9.575 ( 9.400 -7.716 0.493) 12.171 12.596 ( -3.890 6.345 -2.637) 7.896 12.995 ( -7.681 -9.688 -1.488) 12.453 13.959 ( 14.617 -13.587 4.173) 20.388 15.197 ( -0.119 5.360 2.395) 5.872 15.404 ( -3.599 5.852 -1.771) 7.095 16.321 ( -4.246 4.855 0.999) 6.527======================= Grid point 1237 (449/670) =======================q-point: (-0.21 0.37 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.536 ( -6.116 1.389 -0.965) 6.345 6.231 ( -6.504 12.304 -1.380) 13.985 6.516 ( -2.296 -2.536 0.333) 3.437 7.221 ( 1.990 -7.073 -0.576) 7.370 8.014 ( -17.363 14.228 -1.858) 22.525 9.606 ( 3.912 -10.135 0.326) 10.869 12.592 ( -7.400 12.699 -2.957) 14.992 12.902 ( 9.277 -9.336 -0.345) 13.166 14.089 ( 14.598 -13.369 3.204) 20.052 15.127 ( -9.362 0.762 1.619) 9.532 15.501 ( 3.939 8.722 -1.005) 9.622 16.307 ( -3.434 5.040 1.015) 6.183======================= Grid point 1238 (450/670) =======================q-point: (-0.16 0.37 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.325 ( -16.962 -4.168 0.090) 17.467 6.192 ( -9.528 7.636 -1.380) 12.288 6.461 ( -1.707 -0.328 -0.181) 1.748 7.189 ( -0.852 -1.856 -0.350) 2.072 7.720 ( -26.560 4.854 -1.440) 27.039 9.488 ( -8.183 -7.886 -0.120) 11.365 12.590 ( -4.258 10.452 -1.739) 11.419 13.098 ( 19.590 -3.029 -0.274) 19.825 14.206 ( 13.106 -12.524 1.237) 18.170 14.966 ( -10.205 0.101 1.199) 10.275 15.634 ( 2.723 6.223 -1.127) 6.885 16.320 ( 0.093 3.720 1.033) 3.862======================= Grid point 1249 (451/670) =======================q-point: ( 0.42 0.42 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.694 ( -0.000 30.853 1.855) 30.909 4.652 ( -0.000 40.675 -0.418) 40.677 5.172 ( -0.000 5.226 0.865) 5.297 5.933 ( -0.000 31.096 -11.325) 33.094 6.676 ( -0.000 21.154 4.073) 21.542 7.653 ( 0.000 16.968 9.612) 19.501 12.791 ( 0.000 -14.132 1.632) 14.226 14.547 ( -0.000 3.404 -6.919) 7.711 14.665 ( 0.000 4.674 1.296) 4.850 14.914 ( 0.000 -6.249 -0.813) 6.302 15.291 ( 0.000 -13.742 1.779) 13.856 17.019 ( -0.000 -11.659 -5.142) 12.743======================= Grid point 1250 (452/670) =======================q-point: ( 0.47 0.42 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.994 ( 0.141 30.188 -0.512) 30.192 5.083 ( 10.076 31.008 -8.265) 33.635 5.293 ( 2.573 15.262 7.987) 17.417 6.165 ( 2.876 17.421 -8.209) 19.472 6.927 ( 3.133 19.289 3.691) 19.887 7.935 ( 4.238 27.655 8.517) 29.245 12.692 ( 3.333 -13.351 2.467) 13.980 14.395 ( -13.914 2.019 -5.215) 14.996 14.690 ( -0.540 -4.961 1.699) 5.272 14.998 ( 9.330 1.694 -0.246) 9.486 15.122 ( -3.117 -11.197 -2.731) 11.939 16.867 ( -1.481 -13.501 -4.026) 14.166======================= Grid point 1251 (453/670) =======================q-point: ( 0.53 0.42 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.291 ( 1.916 28.328 -1.002) 28.410 5.415 ( 12.980 5.909 -5.595) 15.320 5.720 ( 10.926 39.100 4.719) 40.871 6.323 ( 3.091 10.090 -3.879) 11.243 7.140 ( 2.164 12.273 2.797) 12.772 8.370 ( 8.141 32.764 5.246) 34.165 12.659 ( 6.110 -12.250 3.223) 14.064 14.115 ( -14.767 -5.534 -3.334) 16.119 14.641 ( -3.556 -1.009 -0.112) 3.698 14.851 ( -7.332 -10.457 -1.209) 12.828 15.260 ( 11.276 4.777 -2.933) 12.593 16.688 ( -2.389 -13.370 -2.633) 13.834======================= Grid point 1252 (454/670) =======================q-point: ( 0.58 0.42 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.610 ( 5.212 25.471 -0.593) 26.005 5.674 ( 12.191 6.858 -2.676) 14.241 6.303 ( 12.131 23.601 2.774) 26.680 6.487 ( 8.469 18.167 -2.219) 20.167 7.262 ( 0.646 6.666 2.000) 6.989 8.829 ( 8.121 28.371 2.001) 29.578 12.673 ( 6.857 -10.336 3.139) 12.794 13.797 ( -10.814 -12.717 -0.097) 16.694 14.416 ( -16.684 -4.265 -6.018) 18.242 14.782 ( 2.265 2.017 1.583) 3.421 15.455 ( 7.940 2.832 -2.588) 8.819 16.525 ( -2.039 -10.224 -1.075) 10.480======================= Grid point 1253 (455/670) =======================q-point: ( 0.63 0.42 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.952 ( 8.097 21.386 -0.094) 22.868 5.936 ( 10.232 9.280 -1.694) 13.917 6.471 ( 2.165 2.641 1.139) 3.600 7.039 ( 17.340 26.830 0.052) 31.946 7.326 ( 2.140 6.182 0.594) 6.569 9.176 ( 5.281 18.049 0.087) 18.806 12.692 ( 3.764 -6.849 1.402) 7.940 13.531 ( -2.655 -18.677 4.222) 19.331 14.049 ( -19.834 -1.107 -7.579) 21.261 14.894 ( 4.358 7.083 1.408) 8.435 15.553 ( 3.012 -0.047 -2.308) 3.795 16.427 ( -0.679 -4.592 0.132) 4.644======================= Grid point 1254 (456/670) =======================q-point: ( 0.68 0.42 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.280 ( 8.529 16.077 0.079) 18.199 6.179 ( 6.544 12.013 -0.889) 13.709 6.516 ( 1.341 0.522 0.612) 1.564 7.209 ( -0.467 -4.838 -0.111) 4.862 7.745 ( 17.074 28.737 -0.293) 33.428 9.351 ( 2.389 4.967 -0.437) 5.529 12.664 ( -1.023 -3.288 -0.733) 3.521 13.371 ( 0.900 -17.681 5.712) 18.602 13.717 ( -13.286 -1.209 -5.771) 14.536 15.062 ( 5.242 9.291 1.247) 10.741 15.548 ( -1.391 -1.554 -1.710) 2.696 16.404 ( -0.256 0.285 0.542) 0.664======================= Grid point 1255 (457/670) =======================q-point: ( 0.74 0.42 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.528 ( 5.165 10.022 -0.200) 11.277 6.367 ( 0.894 13.050 -0.234) 13.082 6.540 ( 0.597 0.959 0.317) 1.174 7.122 ( 0.788 -10.711 -0.971) 10.784 8.241 ( 7.302 27.423 -0.622) 28.385 9.373 ( 3.320 -7.892 -0.126) 8.563 12.618 ( -0.168 -1.750 -0.767) 1.918 13.176 ( -13.684 -1.096 -1.397) 13.798 13.612 ( 8.924 -12.931 2.056) 15.845 15.241 ( 3.810 8.917 1.641) 9.835 15.484 ( -3.211 -0.981 -1.581) 3.711 16.409 ( -1.391 2.513 0.546) 2.924======================= Grid point 1256 (458/670) =======================q-point: (-0.21 0.42 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.629 ( -1.676 4.307 -0.530) 4.652 6.449 ( -3.812 8.902 0.487) 9.696 6.541 ( -3.622 2.862 -0.126) 4.618 7.064 ( 5.714 -9.932 -1.160) 11.517 8.443 ( -12.603 20.772 -0.860) 24.312 9.371 ( 9.789 -12.470 -0.064) 15.853 12.647 ( 6.004 -1.269 0.150) 6.138 12.943 ( -15.108 6.678 -2.858) 16.763 13.705 ( 15.530 -14.474 2.713) 21.402 15.286 ( -6.904 1.953 2.043) 7.460 15.492 ( 4.172 4.364 -1.831) 6.309 16.403 ( -2.684 2.688 0.588) 3.843======================= Grid point 1257 (459/670) =======================q-point: (-0.16 0.42 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.544 ( -10.885 0.196 -0.293) 10.891 6.412 ( -9.262 5.385 0.116) 10.714 6.489 ( -2.207 -0.309 -0.246) 2.242 7.110 ( 6.320 -2.554 -0.516) 6.835 8.235 ( -26.035 7.884 -0.553) 27.208 9.433 ( 6.090 -6.026 -0.737) 8.599 12.757 ( 0.993 -2.167 -2.099) 3.176 12.841 ( 2.323 9.852 1.486) 10.230 13.848 ( 15.380 -11.460 0.155) 19.181 15.146 ( -10.165 -0.096 1.448) 10.268 15.608 ( 4.657 3.089 -1.569) 5.804 16.378 ( -2.730 1.423 0.763) 3.172======================= Grid point 1269 (460/670) =======================q-point: ( 0.47 0.47 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.276 ( -0.000 29.117 -3.757) 29.358 5.139 ( -0.000 10.522 -9.146) 13.941 5.561 ( 0.000 32.722 9.176) 33.984 6.268 ( -0.000 12.566 -4.134) 13.228 7.100 ( 0.000 17.104 3.942) 17.553 8.231 ( -0.000 34.644 6.741) 35.294 12.543 ( 0.000 -13.154 3.162) 13.529 14.546 ( -0.000 -0.950 -3.092) 3.234 14.646 ( 0.000 -7.513 1.589) 7.679 14.900 ( -0.000 5.457 -1.352) 5.622 15.034 ( -0.000 -9.955 -5.118) 11.193 16.724 ( -0.000 -15.127 -3.541) 15.536======================= Grid point 1270 (461/670) =======================q-point: ( 0.53 0.47 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.534 ( 0.321 26.673 -4.365) 27.030 5.263 ( 8.294 5.833 -5.478) 11.525 5.962 ( 5.390 34.510 5.390) 35.342 6.376 ( 1.201 9.223 -0.578) 9.319 7.259 ( -0.156 12.414 3.807) 12.985 8.632 ( 3.158 36.695 4.095) 37.057 12.462 ( 3.849 -12.715 3.899) 13.845 14.294 ( -15.912 -9.880 -0.915) 18.752 14.663 ( 3.396 -0.035 1.244) 3.617 14.859 ( -6.323 -6.539 -5.825) 10.801 15.090 ( 11.160 4.134 -3.453) 12.392 16.560 ( -0.308 -15.128 -2.690) 15.369======================= Grid point 1271 (462/670) =======================q-point: ( 0.58 0.47 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.785 ( 2.112 23.572 -3.228) 23.886 5.484 ( 13.447 4.451 -3.288) 14.541 6.385 ( 4.405 17.965 3.668) 18.857 6.539 ( 8.327 21.086 0.971) 22.691 7.354 ( -1.808 7.900 3.046) 8.657 9.038 ( 3.047 31.909 1.585) 32.094 12.452 ( 7.299 -11.694 4.222) 14.417 13.898 ( -16.199 -14.130 0.287) 21.498 14.629 ( -13.046 -0.911 -7.881) 15.269 14.754 ( 4.517 3.050 1.789) 5.737 15.296 ( 10.874 0.792 -3.092) 11.332 16.418 ( 0.791 -12.326 -1.512) 12.443======================= Grid point 1272 (463/670) =======================q-point: ( 0.63 0.47 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.044 ( 4.658 19.649 -1.818) 20.275 5.767 ( 15.484 4.763 -1.823) 16.302 6.495 ( -0.044 4.533 2.377) 5.118 7.043 ( 15.857 27.606 2.462) 31.931 7.375 ( -2.582 3.733 1.072) 4.664 9.335 ( -0.180 22.268 -0.077) 22.269 12.505 ( 9.190 -9.154 3.552) 13.449 13.503 ( -12.633 -16.324 1.874) 20.726 14.344 ( -17.370 1.183 -7.690) 19.033 14.893 ( 4.837 7.599 1.394) 9.114 15.434 ( 7.784 -2.966 -2.779) 8.782 16.351 ( 2.823 -6.923 -0.441) 7.490======================= Grid point 1273 (464/670) =======================q-point: ( 0.68 0.47 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.304 ( 6.471 14.665 -0.717) 16.045 6.076 ( 14.979 6.273 -0.853) 16.262 6.525 ( -0.683 1.972 1.390) 2.508 7.260 ( -6.792 0.493 2.214) 7.160 7.664 ( 20.976 21.759 0.021) 30.223 9.452 ( -4.835 10.518 -0.673) 11.595 12.590 ( 6.759 -4.215 1.292) 8.070 13.198 ( -4.136 -17.261 4.071) 18.210 14.021 ( -20.008 2.639 -6.491) 21.199 15.068 ( 5.360 9.460 0.929) 10.913 15.486 ( 4.119 -4.816 -1.904) 6.617 16.367 ( 3.724 -2.014 -0.007) 4.234======================= Grid point 1274 (465/670) =======================q-point: ( 0.74 0.47 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.527 ( 5.994 9.060 -0.097) 10.863 6.371 ( 10.994 7.773 -0.593) 13.477 6.536 ( 1.112 0.898 0.684) 1.584 7.104 ( -8.542 -5.241 0.653) 10.043 8.229 ( 21.032 19.465 0.417) 28.660 9.377 ( -8.978 -0.942 -0.484) 9.040 12.619 ( -1.158 -0.383 -0.862) 1.493 13.103 ( 9.183 -13.637 4.958) 17.172 13.687 ( -19.581 1.924 -4.455) 20.173 15.255 ( 5.446 9.165 0.502) 10.672 15.475 ( 0.594 -4.519 -0.874) 4.641 16.415 ( 2.462 0.283 0.019) 2.478======================= Grid point 1275 (466/670) =======================q-point: (-0.21 0.47 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.664 ( 2.375 3.890 -0.044) 4.558 6.488 ( 0.373 1.011 -0.057) 1.079 6.686 ( 5.920 11.162 0.295) 12.639 6.897 ( -5.292 -10.852 -0.265) 12.077 8.722 ( 12.183 20.663 0.026) 23.987 9.151 ( -7.621 -13.218 -0.113) 15.258 12.586 ( -0.428 -0.413 -0.198) 0.627 13.217 ( 5.336 2.326 0.963) 5.900 13.394 ( -8.045 -7.307 -0.795) 10.897 15.405 ( -3.613 2.248 2.076) 4.734 15.429 ( 5.323 0.821 -2.096) 5.779 16.442 ( 0.108 0.462 0.062) 0.478======================= Grid point 1276 (467/670) =======================q-point: (-0.16 0.47 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.675 ( -3.747 0.750 -0.159) 3.824 6.493 ( -0.228 0.269 0.304) 0.466 6.633 ( -11.751 -2.305 0.198) 11.976 6.952 ( 10.702 2.957 -0.630) 11.121 8.712 ( -23.404 1.352 0.238) 23.444 9.189 ( 17.114 -0.211 -0.743) 17.131 12.624 ( 5.063 0.570 -0.221) 5.100 13.097 ( -14.541 4.820 0.489) 15.327 13.484 ( 16.784 -5.416 -0.404) 17.641 15.296 ( -7.202 -2.074 1.059) 7.569 15.543 ( 4.390 1.844 -1.124) 4.892 16.425 ( -1.970 -0.779 0.277) 2.136======================= Grid point 1289 (468/670) =======================q-point: ( 0.53 0.53 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.760 ( -0.000 23.623 -5.210) 24.191 5.228 ( -0.000 4.827 -3.552) 5.993 6.252 ( -0.000 31.233 3.746) 31.457 6.451 ( 0.000 7.736 1.922) 7.971 7.391 ( 0.000 10.492 4.337) 11.354 8.983 ( -0.000 36.948 2.466) 37.030 12.318 ( 0.000 -12.826 4.548) 13.608 14.425 ( 0.000 -10.241 0.334) 10.246 14.487 ( 0.000 -8.780 1.131) 8.852 14.897 ( -0.000 1.652 -10.047) 10.182 15.015 ( -0.000 6.243 -1.261) 6.369 16.401 ( 0.000 -15.447 -2.347) 15.624======================= Grid point 1290 (469/670) =======================q-point: ( 0.58 0.53 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.963 ( 0.754 20.161 -3.783) 20.526 5.329 ( 7.920 3.846 -1.904) 9.008 6.508 ( -0.840 9.553 3.254) 10.127 6.622 ( 7.449 23.662 1.943) 24.883 7.479 ( -1.993 7.557 4.001) 8.780 9.335 ( 0.119 32.147 0.792) 32.157 12.248 ( 4.415 -12.320 4.910) 13.977 14.062 ( -18.199 -12.240 0.185) 21.933 14.597 ( 9.369 -5.867 0.025) 11.055 14.833 ( -5.771 6.608 -7.241) 11.376 15.135 ( 7.088 2.509 -2.862) 8.045 16.263 ( 1.688 -13.200 -1.608) 13.404======================= Grid point 1291 (470/670) =======================q-point: ( 0.63 0.53 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.155 ( 2.275 16.194 -2.102) 16.487 5.547 ( 13.761 3.450 -0.300) 14.190 6.565 ( -1.300 4.737 2.787) 5.647 7.033 ( 13.756 21.131 1.350) 25.250 7.490 ( -4.913 3.935 2.988) 6.968 9.588 ( -2.793 23.197 -0.444) 23.369 12.265 ( 8.775 -10.433 4.716) 14.425 13.632 ( -18.063 -12.063 0.416) 21.725 14.563 ( -8.478 0.119 -5.962) 10.365 14.890 ( 4.663 8.348 0.084) 9.563 15.248 ( 7.732 -3.230 -3.323) 9.014 16.207 ( 4.719 -8.253 -0.815) 9.542======================= Grid point 1292 (471/670) =======================q-point: ( 0.68 0.53 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.339 ( 4.139 11.342 -0.792) 12.100 5.844 ( 16.743 3.700 0.719) 17.162 6.578 ( -2.040 2.141 1.608) 3.366 7.409 ( -7.330 -0.194 1.111) 7.416 7.496 ( 18.679 15.714 1.975) 24.489 9.675 ( -7.379 12.654 -0.887) 14.675 12.373 ( 12.058 -6.680 3.722) 14.278 13.242 ( -14.946 -10.516 1.071) 18.306 14.343 ( -16.316 3.258 -5.770) 17.610 15.074 ( 5.409 9.737 0.788) 11.166 15.316 ( 7.721 -6.791 -2.422) 10.564 16.248 ( 6.641 -3.435 -0.488) 7.493======================= Grid point 1293 (472/670) =======================q-point: (-0.26 -0.47 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.504 ( 5.323 5.945 0.168) 7.982 6.170 ( 17.032 3.526 0.508) 17.400 6.554 ( -2.033 -0.137 0.523) 2.103 7.250 ( -10.260 -1.894 1.006) 10.482 7.978 ( 23.190 8.627 1.302) 24.777 9.587 ( -12.019 4.151 -0.582) 12.729 12.553 ( 11.472 -0.699 1.519) 11.593 12.951 ( -7.712 -9.569 2.377) 12.518 14.051 ( -20.100 4.155 -4.298) 20.970 15.239 ( 4.759 5.047 -1.200) 7.040 15.377 ( 6.052 -2.681 0.419) 6.632 16.337 ( 5.981 -1.063 -0.502) 6.095======================= Grid point 1294 (473/670) =======================q-point: (-0.21 -0.47 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.624 ( 4.787 0.601 0.404) 4.842 6.456 ( 10.363 1.390 -0.896) 10.494 6.537 ( 4.182 -1.941 0.574) 4.647 7.053 ( -11.590 0.087 1.053) 11.638 8.434 ( 24.833 -0.438 0.701) 24.847 9.370 ( -15.927 1.895 0.099) 16.039 12.652 ( -4.423 4.697 -0.808) 6.502 12.911 ( 14.333 -8.901 3.218) 17.176 13.732 ( -21.025 5.086 -2.430) 21.767 15.308 ( 4.930 -5.540 -2.274) 7.757 15.472 ( 1.706 6.239 2.077) 6.793 16.408 ( 3.452 -0.852 -0.484) 3.588======================= Grid point 1309 (474/670) =======================q-point: ( 0.58 0.58 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.125 ( -0.000 16.583 -1.878) 16.689 5.292 ( -0.000 3.226 -0.608) 3.283 6.596 ( 0.000 4.926 3.098) 5.819 6.784 ( -0.000 20.948 1.132) 20.978 7.578 ( 0.000 5.622 4.016) 6.909 9.634 ( -0.000 27.763 -0.218) 27.764 12.108 ( 0.000 -11.951 5.225) 13.043 14.220 ( 0.000 -8.949 -0.868) 8.991 14.341 ( 0.000 -6.636 1.132) 6.732 14.915 ( -0.000 5.705 -8.643) 10.356 15.110 ( -0.000 4.307 -1.631) 4.605 16.116 ( 0.000 -11.816 -1.311) 11.889======================= Grid point 1310 (475/670) =======================q-point: ( 0.63 0.58 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.265 ( 0.376 11.960 -0.463) 11.975 5.395 ( 8.164 3.676 1.532) 9.084 6.634 ( -1.057 2.860 2.455) 3.915 7.022 ( 7.537 13.899 0.199) 15.812 7.606 ( -3.038 2.736 3.402) 5.319 9.845 ( -2.551 19.198 -1.075) 19.397 12.061 ( 5.153 -9.887 5.126) 12.271 13.865 ( -20.156 -7.089 -0.304) 21.368 14.507 ( 11.804 -2.729 -0.655) 12.133 14.926 ( -1.053 6.629 -5.809) 8.877 15.149 ( 1.383 1.084 -2.380) 2.958 16.047 ( 3.930 -7.630 -0.868) 8.626======================= Grid point 1311 (476/670) =======================q-point: (-0.32 -0.42 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.375 ( 2.128 6.799 0.043) 7.125 5.628 ( 13.228 4.180 3.399) 14.283 6.630 ( -1.927 0.081 1.255) 2.301 7.294 ( 12.762 4.645 -1.416) 13.655 7.563 ( -4.602 1.644 3.878) 6.238 9.901 ( -6.457 8.858 -1.352) 11.045 12.129 ( 10.177 -6.121 4.562) 12.722 13.469 ( -19.600 -4.276 -0.083) 20.061 14.556 ( -5.648 2.439 -3.675) 7.166 15.038 ( 9.224 4.598 -1.030) 10.358 15.158 ( 1.273 -1.183 -2.481) 3.029 16.091 ( 7.284 -3.013 -0.767) 7.919======================= Grid point 1312 (477/670) =======================q-point: (-0.26 -0.42 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.468 ( 3.573 1.695 0.830) 4.041 5.924 ( 15.731 3.100 3.008) 16.314 6.583 ( -2.308 -2.516 0.043) 3.414 7.359 ( -4.069 -4.289 -1.236) 6.040 7.688 ( 15.626 1.657 3.306) 16.057 9.802 ( -9.767 0.717 -0.935) 9.837 12.310 ( 13.926 -2.112 3.556) 14.527 13.136 ( -16.923 -0.521 0.222) 16.932 14.386 ( -15.605 4.366 -3.701) 16.622 15.143 ( 5.115 -7.621 -2.442) 9.498 15.280 ( 8.147 9.211 1.046) 12.342 16.205 ( 7.834 -0.590 -0.908) 7.908======================= Grid point 1313 (478/670) =======================q-point: (-0.21 -0.42 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.527 ( 4.535 -4.404 0.833) 6.376 6.216 ( 15.146 0.350 1.443) 15.218 6.519 ( -1.279 -3.175 -0.351) 3.441 7.217 ( -7.654 -1.686 0.319) 7.844 7.996 ( 21.729 -7.782 1.651) 23.140 9.609 ( -11.158 -1.944 -0.107) 11.326 12.566 ( 15.762 0.083 2.186) 15.913 12.898 ( -13.169 3.884 0.490) 13.738 14.119 ( -19.461 5.012 -2.452) 20.245 15.146 ( 5.316 -8.134 -1.976) 9.916 15.488 ( 5.251 7.967 1.535) 9.665 16.317 ( 5.914 -0.369 -0.947) 6.001======================= Grid point 1329 (479/670) =======================q-point: (-0.37 -0.37 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.345 ( 0.000 1.940 1.262) 2.314 5.388 ( 0.000 9.879 3.591) 10.512 6.665 ( 0.000 -0.030 1.662) 1.662 7.058 ( -0.000 6.491 -0.504) 6.511 7.656 ( 0.000 -0.107 2.811) 2.813 10.012 ( -0.000 10.542 -1.714) 10.681 11.949 ( 0.000 -7.115 5.100) 8.754 14.099 ( -0.000 -2.285 -1.525) 2.747 14.257 ( 0.000 -2.625 1.279) 2.920 14.978 ( -0.000 5.772 -6.331) 8.567 15.155 ( -0.000 1.617 -2.056) 2.615 15.948 ( 0.000 -4.239 -0.705) 4.298======================= Grid point 1330 (480/670) =======================q-point: (-0.32 -0.37 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.385 ( 1.827 1.562 1.176) 2.676 5.530 ( 5.907 5.672 6.072) 10.195 6.644 ( -1.061 -3.151 0.561) 3.372 7.138 ( 6.777 -1.741 -1.177) 7.095 7.630 ( -2.316 -2.413 2.597) 4.235 10.026 ( -3.426 -0.225 -1.926) 3.937 11.966 ( 5.582 -2.672 4.727) 7.787 13.799 ( -21.055 0.670 -0.400) 21.069 14.484 ( 13.780 0.558 -0.210) 13.792 14.989 ( -1.497 3.325 -4.710) 5.957 15.161 ( 0.522 1.983 -1.935) 2.820 15.967 ( 4.647 0.238 -0.803) 4.722======================= Grid point 1331 (481/670) =======================q-point: (-0.26 -0.37 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.421 ( 1.884 -2.442 1.499) 3.429 5.740 ( 11.321 2.805 5.673) 12.969 6.576 ( -1.695 -5.532 -0.503) 5.808 7.225 ( 9.288 -8.984 -1.858) 13.055 7.580 ( -0.091 -3.601 3.387) 4.945 9.893 ( -5.688 -8.810 -1.523) 10.597 12.111 ( 10.184 1.343 4.067) 11.048 13.474 ( -20.071 4.874 -0.109) 20.654 14.597 ( -3.663 3.541 -2.156) 5.532 14.975 ( 2.927 -5.363 -2.440) 6.579 15.252 ( 6.026 7.411 -0.684) 9.576 16.082 ( 6.752 2.843 -1.112) 7.410======================= Grid point 1332 (482/670) =======================q-point: (-0.21 -0.37 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.400 ( 2.268 -9.967 1.002) 10.271 5.986 ( 13.578 0.041 3.482) 14.017 6.496 ( -0.920 -4.804 -0.553) 4.923 7.235 ( 2.535 -7.951 -0.771) 8.381 7.615 ( 10.900 -10.549 2.856) 15.435 9.682 ( -5.634 -12.469 -0.723) 13.702 12.345 ( 12.746 3.224 3.145) 13.518 13.229 ( -17.226 9.781 0.171) 19.810 14.453 ( -15.175 4.467 -2.599) 16.031 14.968 ( 4.979 -8.454 -1.540) 9.931 15.459 ( 7.914 7.882 0.572) 11.184 16.219 ( 5.973 3.190 -1.226) 6.881======================= Grid point 1349 (483/670) =======================q-point: (-0.32 -0.32 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.381 ( 0.000 0.539 2.079) 2.148 5.547 ( 0.000 1.562 7.427) 7.590 6.611 ( 0.000 -5.598 -0.090) 5.599 7.022 ( 0.000 -9.422 -1.293) 9.511 7.618 ( 0.000 -5.209 2.078) 5.608 9.990 ( 0.000 -11.532 -2.198) 11.739 11.931 ( 0.000 2.066 4.578) 5.022 14.111 ( -0.000 4.379 -1.342) 4.580 14.260 ( 0.000 2.033 1.366) 2.449 15.045 ( -0.000 4.728 -4.363) 6.433 15.144 ( -0.000 -1.158 -2.298) 2.573 15.952 ( -0.000 5.293 -0.936) 5.376======================= Grid point 1350 (484/670) =======================q-point: (-0.26 -0.32 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.382 ( -0.594 -3.620 1.970) 4.164 5.616 ( 6.820 -2.875 6.718) 9.995 6.540 ( -1.321 -6.005 -0.290) 6.155 6.952 ( 7.088 -15.899 -1.081) 17.441 7.555 ( -1.090 -6.674 2.359) 7.162 9.805 ( -1.718 -20.668 -1.952) 20.831 12.031 ( 5.069 5.814 4.239) 8.801 13.883 ( -20.284 7.936 -0.102) 21.782 14.517 ( 12.938 2.578 -0.059) 13.192 14.990 ( -6.360 -0.131 -3.405) 7.216 15.195 ( 6.099 2.441 -1.958) 6.854 16.049 ( 3.096 8.801 -1.297) 9.420======================= Grid point 1351 (485/670) =======================q-point: (-0.21 -0.32 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.276 ( -1.764 -14.793 0.783) 14.918 5.767 ( 12.155 -4.057 3.818) 13.370 6.467 ( -1.026 -3.786 0.590) 3.967 6.948 ( 12.281 -18.300 0.038) 22.039 7.474 ( -0.648 -8.537 2.502) 8.920 9.547 ( -0.735 -25.286 -1.338) 25.332 12.229 ( 8.544 7.543 3.722) 11.989 13.650 ( -19.000 12.723 0.299) 22.869 14.649 ( -1.183 2.857 -1.825) 3.590 14.853 ( -3.717 -5.278 -2.056) 6.775 15.368 ( 10.081 4.504 -0.622) 11.058 16.195 ( 3.444 9.879 -1.434) 10.560======================= Grid point 1369 (486/670) =======================q-point: (-0.26 -0.26 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.386 ( 0.000 -1.699 1.354) 2.173 5.478 ( 0.000 -15.368 5.401) 16.290 6.514 ( 0.000 -2.289 1.346) 2.655 6.690 ( 0.000 -23.126 -0.821) 23.141 7.499 ( 0.000 -8.327 2.532) 8.703 9.555 ( 0.000 -30.688 -1.947) 30.750 12.078 ( 0.000 9.138 4.257) 10.081 14.239 ( -0.000 9.136 -0.960) 9.187 14.347 ( 0.000 5.632 1.293) 5.778 15.082 ( -0.000 -3.414 -2.232) 4.079 15.093 ( -0.000 2.746 -3.379) 4.354 16.131 ( -0.000 13.595 -1.678) 13.698======================= Grid point 1370 (487/670) =======================q-point: (-0.21 -0.26 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.181 ( -6.907 -21.022 0.243) 22.129 5.513 ( 11.586 -8.532 1.680) 14.486 6.439 ( -0.077 -13.675 1.619) 13.770 6.587 ( 7.489 -11.016 2.103) 13.485 7.413 ( -0.885 -9.697 2.767) 10.123 9.226 ( 1.536 -36.668 -1.579) 36.734 12.227 ( 4.067 10.716 4.134) 12.185 14.093 ( -17.567 13.015 0.346) 21.865 14.572 ( 8.578 2.890 -0.275) 9.056 14.944 ( -7.807 -2.150 -3.142) 8.685 15.217 ( 9.797 0.940 -1.704) 9.988 16.281 ( 0.991 15.693 -1.872) 15.835======================= Grid point 1389 (488/670) =======================q-point: (-0.21 -0.21 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.012 ( 0.000 -32.625 -0.437) 32.628 5.298 ( -0.000 -8.898 -2.635) 9.280 6.168 ( 0.000 -28.460 2.545) 28.574 6.576 ( 0.000 5.658 4.911) 7.493 7.328 ( 0.000 -11.538 3.267) 11.991 8.804 ( 0.000 -44.422 -1.407) 44.444 12.322 ( 0.000 12.363 4.365) 13.111 14.437 ( -0.000 11.344 -0.687) 11.365 14.482 ( -0.000 6.907 1.067) 6.988 14.990 ( -0.000 -4.332 -1.824) 4.700 15.100 ( -0.000 0.392 -3.582) 3.603 16.436 ( -0.000 18.517 -2.261) 18.655======================= Grid point 1530 (489/670) =======================q-point: ( 0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 670Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.213 ( 0.000 -0.000 26.457) 26.457 1.213 ( 0.000 -0.000 26.457) 26.457 2.054 ( 0.000 -0.000 45.108) 45.108 5.088 ( -0.000 0.000 -6.910) 6.910 5.088 ( -0.000 0.000 -6.910) 6.910 8.794 ( -0.000 0.000 -14.248) 14.248 14.214 ( 0.000 -0.000 0.566) 0.566 14.214 ( 0.000 -0.000 0.566) 0.566 15.040 ( 0.000 -0.000 5.884) 5.884 15.480 ( -0.000 0.000 -0.146) 0.146 15.480 ( -0.000 -0.000 -0.146) 0.146 16.121 ( -0.000 0.000 -2.474) 2.474======================= Grid point 1531 (490/670) =======================q-point: ( 0.26 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.300 ( 9.355 5.401 23.469) 25.835 1.689 ( 14.894 8.599 28.313) 33.127 2.428 ( 24.746 14.287 30.540) 41.823 5.127 ( 3.823 2.207 -6.521) 7.874 5.197 ( 12.226 7.059 -8.573) 16.517 8.304 ( -27.993 -16.162 -0.683) 32.331 14.095 ( -10.004 -5.776 0.583) 11.566 14.227 ( 1.355 0.782 0.529) 1.651 14.657 ( -17.785 -10.268 2.006) 20.635 15.414 ( 1.831 1.057 12.483) 12.660 15.469 ( -1.698 -0.980 -0.070) 1.962 16.889 ( 35.061 20.242 -20.883) 45.554======================= Grid point 1532 (491/670) =======================q-point: ( 0.32 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.753 ( 23.509 13.573 16.937) 31.996 2.006 ( 7.406 4.276 31.422) 32.565 3.309 ( 43.373 25.041 8.865) 50.861 5.213 ( 5.625 3.248 -5.991) 8.836 5.525 ( 18.646 10.765 -6.387) 22.458 7.801 ( -16.611 -9.591 2.669) 19.366 13.833 ( -12.422 -7.172 0.586) 14.356 14.279 ( 3.032 1.750 0.559) 3.545 14.395 ( -6.968 -4.023 -4.249) 9.099 15.404 ( -4.002 -2.311 -0.123) 4.623 15.517 ( 1.966 1.135 12.935) 13.133 17.314 ( 10.907 6.297 -17.108) 21.244======================= Grid point 1533 (492/670) =======================q-point: ( 0.37 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.332 ( 14.137 8.162 22.972) 28.181 2.429 ( 31.393 18.125 12.092) 38.213 4.329 ( 45.256 26.129 -3.004) 52.343 5.336 ( 6.991 4.036 -5.437) 9.733 5.973 ( 22.003 12.703 -1.583) 25.456 7.552 ( -6.848 -3.954 2.666) 8.345 13.562 ( -11.646 -6.724 0.058) 13.448 14.273 ( -2.464 -1.422 -6.746) 7.321 14.366 ( 4.508 2.603 0.702) 5.253 15.291 ( -5.932 -3.425 -0.304) 6.857 15.554 ( -2.842 -1.641 11.001) 11.480 17.348 ( -2.212 -1.277 -11.503) 11.784======================= Grid point 1534 (493/670) =======================q-point: ( 0.42 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.809 ( 22.423 12.946 13.134) 29.033 3.215 ( 34.578 19.964 8.926) 40.913 5.277 ( 40.094 23.148 -10.228) 47.413 5.489 ( 8.341 4.816 -4.873) 10.794 6.483 ( 22.794 13.160 1.761) 26.379 7.509 ( 2.301 1.329 4.751) 5.443 13.311 ( -10.635 -6.140 -0.687) 12.299 14.230 ( 0.504 0.291 -6.356) 6.383 14.483 ( 5.554 3.207 1.001) 6.491 15.139 ( -7.317 -4.225 -0.606) 8.471 15.456 ( -8.803 -5.083 7.416) 12.583 17.176 ( -9.477 -5.472 -7.095) 13.042======================= Grid point 1535 (494/670) =======================q-point: ( 0.47 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.409 ( 27.540 15.900 5.716) 32.311 4.008 ( 32.673 18.864 6.434) 38.273 5.685 ( 10.834 6.255 -4.081) 13.159 6.011 ( 27.594 15.931 -11.378) 33.833 6.971 ( 19.248 11.113 0.232) 22.227 7.732 ( 16.692 9.637 7.615) 20.724 13.076 ( -10.035 -5.794 -1.543) 11.689 14.249 ( 2.693 1.555 -4.059) 5.114 14.617 ( 5.731 3.309 1.505) 6.787 14.964 ( -7.858 -4.537 -1.047) 9.134 15.215 ( -13.924 -8.039 3.081) 16.370 16.900 ( -13.033 -7.525 -3.319) 15.411======================= Grid point 1536 (495/670) =======================q-point: ( 0.53 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.060 ( 28.841 16.652 0.772) 33.312 4.678 ( 24.275 14.015 3.616) 28.262 5.970 ( 15.943 9.205 -2.486) 18.577 6.435 ( 13.844 7.993 -7.324) 17.583 7.336 ( 13.795 7.965 -1.219) 15.976 8.291 ( 28.978 16.730 5.504) 33.910 12.845 ( -10.014 -5.781 -2.427) 11.815 14.318 ( 3.923 2.265 -0.193) 4.534 14.707 ( -2.076 -1.199 1.208) 2.685 14.823 ( -0.463 -0.267 -0.619) 0.817 14.873 ( -16.098 -9.294 -1.013) 18.616 16.587 ( -13.843 -7.992 -0.382) 15.989======================= Grid point 1537 (496/670) =======================q-point: ( 0.58 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.686 ( 26.575 15.343 -2.673) 30.803 5.102 ( 13.184 7.612 0.517) 15.232 6.378 ( 19.742 11.398 -0.314) 22.798 6.631 ( 6.144 3.547 -3.658) 7.982 7.590 ( 9.160 5.288 -1.624) 10.700 8.980 ( 29.473 17.016 2.704) 34.140 12.605 ( -10.535 -6.082 -3.382) 12.626 14.375 ( -4.119 -2.378 5.806) 7.505 14.560 ( -7.453 -4.303 -1.028) 8.667 14.563 ( -5.330 -3.077 -5.166) 8.035 14.912 ( 4.706 2.717 1.782) 5.719 16.288 ( -12.580 -7.263 1.290) 14.583======================= Grid point 1538 (497/670) =======================q-point: ( 0.63 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.212 ( 20.945 12.093 -5.397) 24.780 5.311 ( 6.325 3.652 -1.389) 7.435 6.708 ( 1.723 0.995 -1.501) 2.492 6.789 ( 15.399 8.891 0.921) 17.806 7.731 ( 3.923 2.265 -2.305) 5.083 9.580 ( 22.122 12.772 2.068) 25.628 12.352 ( -10.445 -6.030 -4.547) 12.889 14.168 ( -9.422 -5.440 1.975) 11.058 14.405 ( -5.637 -3.255 -1.543) 6.690 14.632 ( 6.371 3.678 1.742) 7.560 15.011 ( 3.345 1.931 2.447) 4.573 16.045 ( -9.236 -5.332 1.858) 10.825======================= Grid point 1539 (498/670) =======================q-point: ( 0.68 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.402 ( 2.665 1.539 -2.120) 3.737 5.570 ( 12.518 7.227 -7.363) 16.222 6.698 ( -2.385 -1.377 -0.094) 2.756 7.028 ( 4.808 2.776 1.261) 5.693 7.753 ( -0.995 -0.575 -2.910) 3.128 9.942 ( 8.450 4.879 2.396) 10.047 12.132 ( -6.728 -3.884 -5.631) 9.595 14.042 ( -2.231 -1.288 1.945) 3.228 14.308 ( -2.297 -1.326 -1.779) 3.194 14.791 ( 6.497 3.751 4.435) 8.715 15.074 ( 1.350 0.779 2.778) 3.185 15.904 ( -3.422 -1.976 1.950) 4.406======================= Grid point 1540 (499/670) =======================q-point: (-0.26 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.425 ( 0.182 0.105 -1.989) 2.000 5.704 ( 0.882 0.509 -7.145) 7.217 6.609 ( -4.885 -2.820 0.067) 5.641 6.997 ( -8.034 -4.638 1.064) 9.338 7.677 ( -4.567 -2.637 -3.420) 6.286 9.941 ( -9.658 -5.576 2.367) 11.400 12.044 ( 1.039 0.600 -5.919) 6.040 14.075 ( 4.197 2.423 2.088) 5.277 14.294 ( 1.608 0.928 -1.782) 2.573 14.942 ( 5.158 2.978 5.218) 7.919 15.090 ( -0.820 -0.473 2.797) 2.953 15.919 ( 4.311 2.489 2.119) 5.410======================= Grid point 1541 (500/670) =======================q-point: (-0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.397 ( -2.339 -1.350 -0.816) 2.821 5.524 ( -15.602 -9.008 -3.314) 18.318 6.534 ( -0.420 -0.242 -2.467) 2.514 6.685 ( -19.391 -11.195 0.199) 22.392 7.532 ( -7.173 -4.141 -3.646) 9.049 9.536 ( -26.304 -15.187 1.701) 30.421 12.128 ( 7.564 4.367 -5.275) 10.203 14.226 ( 8.234 4.754 1.538) 9.631 14.362 ( 4.730 2.731 -1.555) 5.679 15.050 ( 2.824 1.630 4.758) 5.768 15.058 ( -2.748 -1.587 2.491) 4.034 16.110 ( 11.640 6.721 2.402) 13.654======================= Grid point 1550 (501/670) =======================q-point: ( 0.26 0.26 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.567 ( 0.000 23.240 22.522) 32.363 1.731 ( 0.000 23.579 20.806) 31.446 2.475 ( 0.000 14.725 35.028) 37.997 5.020 ( -0.000 0.248 -7.701) 7.705 5.237 ( -0.000 16.302 -7.697) 18.028 8.291 ( 0.000 -30.879 -2.822) 31.007 14.050 ( 0.000 -15.683 0.983) 15.714 14.246 ( 0.000 2.415 0.598) 2.488 14.719 ( 0.000 -15.223 1.381) 15.286 15.436 ( 0.000 -3.522 -0.174) 3.526 15.508 ( 0.000 4.478 12.722) 13.487 16.786 ( -0.000 37.473 -19.740) 42.354======================= Grid point 1551 (502/670) =======================q-point: ( 0.32 0.26 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.849 ( 1.407 30.235 17.716) 35.071 2.096 ( 3.398 12.362 28.484) 31.236 3.021 ( 26.827 30.704 14.787) 43.372 5.079 ( 8.009 0.847 -7.102) 10.738 5.438 ( 6.779 18.810 -6.827) 21.127 7.905 ( -10.610 -20.350 0.998) 22.971 13.861 ( -3.727 -15.958 1.050) 16.421 14.241 ( -2.534 0.096 -0.975) 2.717 14.554 ( -6.657 0.230 -1.496) 6.827 15.357 ( -1.671 -6.721 1.543) 7.095 15.611 ( -0.086 4.486 11.784) 12.609 17.145 ( 11.846 16.066 -18.462) 27.190======================= Grid point 1552 (503/670) =======================q-point: ( 0.37 0.26 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.343 ( 4.374 10.202 26.962) 29.158 2.352 ( 14.458 33.251 13.085) 38.547 3.923 ( 36.280 34.604 -0.732) 50.142 5.224 ( 8.927 3.480 -6.157) 11.389 5.787 ( 15.242 17.691 -3.151) 23.563 7.615 ( -6.771 -9.637 1.937) 11.936 13.637 ( -6.692 -12.155 0.736) 13.895 14.168 ( -0.848 -5.029 -4.902) 7.073 14.518 ( -4.777 11.032 -0.485) 12.032 15.266 ( -0.474 -9.344 0.560) 9.373 15.647 ( -3.478 0.247 11.022) 11.560 17.302 ( 2.875 2.891 -13.435) 14.040======================= Grid point 1553 (504/670) =======================q-point: ( 0.42 0.26 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.678 ( 13.035 13.136 18.549) 26.202 3.041 ( 22.433 34.396 9.765) 42.209 4.843 ( 36.178 29.396 -9.009) 47.478 5.403 ( 8.473 7.985 -5.917) 13.060 6.253 ( 20.544 15.529 0.920) 25.770 7.505 ( -0.272 -2.070 3.439) 4.024 13.410 ( -8.561 -8.302 -0.109) 11.926 14.111 ( 3.084 -6.031 -6.096) 9.113 14.572 ( -3.073 12.503 0.890) 12.906 15.159 ( -2.061 -8.317 -0.462) 8.581 15.564 ( -7.312 -5.804 8.418) 12.570 17.233 ( -5.431 -3.288 -8.657) 10.736======================= Grid point 1554 (505/670) =======================q-point: ( 0.47 0.26 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.163 ( 21.384 15.618 10.489) 28.482 3.808 ( 24.820 33.221 7.388) 42.121 5.513 ( 18.127 8.203 -7.332) 21.205 5.726 ( 21.127 23.055 -9.933) 32.811 6.750 ( 20.272 12.781 0.825) 23.979 7.615 ( 9.927 6.525 6.210) 13.405 13.186 ( -9.668 -5.636 -1.314) 11.268 14.116 ( 6.465 -5.711 -4.769) 9.857 14.651 ( -1.005 9.278 1.962) 9.536 15.028 ( -5.456 -5.739 -0.698) 7.950 15.355 ( -10.627 -9.213 4.167) 14.669 17.022 ( -10.721 -6.256 -4.521) 13.211======================= Grid point 1555 (506/670) =======================q-point: ( 0.53 0.26 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.751 ( 26.173 16.157 4.760) 31.124 4.526 ( 20.588 28.421 4.962) 35.444 5.812 ( 13.862 10.568 -4.674) 18.047 6.235 ( 17.795 13.232 -8.715) 23.827 7.156 ( 15.815 8.251 -1.403) 17.893 8.033 ( 22.987 16.372 6.050) 28.862 12.963 ( -10.450 -4.196 -2.560) 11.549 14.181 ( 8.839 -5.161 -2.121) 10.453 14.716 ( 0.217 2.122 1.919) 2.869 14.828 ( -9.844 -10.676 1.756) 14.627 15.113 ( -11.104 0.634 -1.294) 11.198 16.740 ( -13.117 -7.251 -1.180) 15.034======================= Grid point 1556 (507/670) =======================q-point: ( 0.58 0.26 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.365 ( 26.807 14.751 0.943) 30.612 5.042 ( 11.001 19.916 1.526) 22.803 6.200 ( 17.623 16.523 -2.185) 24.256 6.522 ( 9.626 5.107 -4.964) 11.974 7.448 ( 12.246 4.502 -1.930) 13.189 8.672 ( 28.247 18.910 3.012) 34.126 12.732 ( -11.294 -3.556 -3.648) 12.389 14.288 ( 9.931 -6.085 -0.209) 11.649 14.471 ( -11.575 -18.672 2.342) 22.093 14.740 ( -1.809 0.634 0.767) 2.065 15.017 ( -7.625 11.565 -1.161) 13.901 16.447 ( -13.258 -6.518 0.938) 14.804======================= Grid point 1557 (508/670) =======================q-point: ( 0.63 0.26 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.919 ( 23.139 11.090 -1.700) 25.716 5.322 ( 4.004 14.160 -1.608) 14.803 6.651 ( 8.957 7.041 -2.697) 11.708 6.665 ( 11.401 11.706 0.077) 16.340 7.638 ( 7.905 1.117 -2.582) 8.390 9.312 ( 25.629 14.844 1.798) 29.672 12.486 ( -12.235 -2.989 -4.663) 13.430 14.099 ( -5.653 -22.495 -0.600) 23.202 14.410 ( 6.151 -3.439 4.555) 8.391 14.722 ( -4.323 8.908 -0.949) 9.947 15.032 ( -2.363 6.897 1.515) 7.446 16.187 ( -11.648 -3.954 1.769) 12.428======================= Grid point 1558 (509/670) =======================q-point: ( 0.68 0.26 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.303 ( 12.356 4.600 -2.466) 13.413 5.497 ( 4.227 13.108 -4.794) 14.583 6.696 ( 0.839 -1.228 -1.057) 1.825 7.007 ( 6.829 12.366 1.048) 14.165 7.718 ( 2.989 -1.444 -3.180) 4.597 9.792 ( 16.619 7.047 2.047) 18.167 12.243 ( -11.305 -1.202 -5.572) 12.660 13.856 ( 2.417 -20.668 0.410) 20.813 14.459 ( -1.042 2.997 2.132) 3.822 14.785 ( 0.171 9.812 1.998) 10.015 15.067 ( 0.792 1.450 2.628) 3.104 16.004 ( -8.133 0.051 1.820) 8.334======================= Grid point 1559 (510/670) =======================q-point: (-0.26 0.26 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.421 ( 1.149 2.168 -2.096) 3.227 5.671 ( 3.933 8.021 -7.154) 11.445 6.649 ( -3.409 -3.580 0.201) 4.947 7.112 ( -4.917 4.646 1.223) 6.874 7.694 ( -1.802 -2.876 -3.381) 4.790 9.980 ( 1.276 -2.745 2.357) 3.837 12.079 ( -5.661 2.791 -5.877) 8.624 13.787 ( 10.967 -17.402 0.766) 20.583 14.477 ( -4.377 10.012 0.528) 10.940 14.894 ( 2.883 3.162 4.071) 5.907 15.110 ( 1.429 1.918 2.843) 3.715 15.940 ( -2.163 4.100 1.764) 4.960======================= Grid point 1560 (511/670) =======================q-point: (-0.21 0.26 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.401 ( -2.998 -2.547 -1.711) 4.289 5.682 ( -6.972 3.074 -5.820) 9.588 6.539 ( -3.716 -3.929 -0.304) 5.416 6.943 ( -17.007 -1.407 0.682) 17.079 7.585 ( -5.418 -4.243 -3.251) 7.611 9.784 ( -16.921 -11.518 1.994) 20.566 12.080 ( 2.141 6.910 -5.225) 8.924 13.881 ( 17.178 -13.280 0.408) 21.716 14.515 ( -3.828 11.762 0.178) 12.371 14.952 ( 3.333 -4.944 3.927) 7.140 15.170 ( -0.993 7.126 2.664) 7.672 16.032 ( 5.922 7.064 1.895) 9.411======================= Grid point 1570 (512/670) =======================q-point: ( 0.32 0.32 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.165 ( 0.000 19.230 23.198) 30.132 2.381 ( 0.000 30.353 14.250) 33.532 3.166 ( 0.000 38.981 14.343) 41.536 4.993 ( -0.000 2.304 -7.205) 7.564 5.557 ( -0.000 20.611 -6.208) 21.525 7.784 ( 0.000 -19.861 0.930) 19.883 13.717 ( 0.000 -17.792 0.809) 17.810 14.315 ( -0.000 4.241 0.506) 4.271 14.543 ( -0.000 -4.103 -4.374) 5.998 15.344 ( 0.000 -5.703 -0.005) 5.703 15.673 ( 0.000 1.291 13.565) 13.626 17.149 ( -0.000 15.591 -17.006) 23.071======================= Grid point 1571 (513/670) =======================q-point: ( 0.37 0.32 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.458 ( 4.344 16.355 21.378) 27.265 2.692 ( -2.638 35.140 13.480) 37.729 3.814 ( 20.706 43.924 1.417) 48.580 5.076 ( 8.655 3.608 -6.084) 11.178 5.789 ( 5.934 20.388 -3.854) 21.581 7.597 ( -3.022 -11.848 1.869) 12.370 13.548 ( -0.342 -16.380 0.925) 16.410 14.230 ( -9.480 0.981 -3.811) 10.264 14.599 ( 5.701 4.756 -2.223) 7.750 15.225 ( -5.036 -7.377 0.727) 8.961 15.712 ( -0.884 -3.030 11.322) 11.754 17.244 ( 2.898 6.052 -13.430) 15.013======================= Grid point 1572 (514/670) =======================q-point: ( 0.42 0.32 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.749 ( 4.650 16.151 18.376) 24.903 3.171 ( 10.153 40.845 9.653) 43.181 4.605 ( 25.537 36.671 -8.327) 45.456 5.293 ( 11.955 8.801 -5.774) 15.928 6.132 ( 13.126 18.325 0.346) 22.544 7.495 ( -0.488 -3.691 3.375) 5.025 13.394 ( -1.392 -13.220 1.229) 13.350 14.075 ( -6.213 -0.382 -6.637) 9.100 14.736 ( 0.689 11.137 -0.011) 11.158 15.080 ( -1.656 -9.730 0.265) 9.873 15.637 ( -5.617 -8.367 8.326) 13.072 17.238 ( -1.790 -1.436 -9.340) 9.618======================= Grid point 1573 (515/670) =======================q-point: ( 0.47 0.32 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.101 ( 10.896 19.080 12.690) 25.373 3.843 ( 17.385 40.912 7.515) 45.084 5.247 ( 21.447 16.673 -9.758) 28.864 5.630 ( 14.547 21.431 -8.920) 27.395 6.568 ( 17.333 15.399 2.046) 23.275 7.557 ( 6.163 5.109 5.665) 9.807 13.245 ( -4.264 -8.915 0.722) 9.908 13.983 ( -0.160 -2.457 -6.626) 7.069 14.798 ( -5.018 6.960 2.211) 8.861 15.012 ( 1.542 -4.015 -0.695) 4.357 15.428 ( -8.875 -12.215 4.452) 15.742 17.099 ( -7.141 -5.633 -5.524) 10.641======================= Grid point 1574 (516/670) =======================q-point: ( 0.53 0.32 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.572 ( 17.836 19.869 7.729) 27.796 4.552 ( 16.923 37.272 5.914) 41.359 5.640 ( 16.791 10.727 -7.366) 21.243 6.071 ( 15.340 18.018 -9.129) 25.364 6.977 ( 14.982 10.156 -0.328) 18.103 7.875 ( 17.026 15.971 6.275) 24.173 13.075 ( -7.781 -5.145 -0.912) 9.372 13.978 ( 5.942 -4.862 -4.412) 8.855 14.752 ( -3.069 -2.308 1.278) 4.047 14.921 ( -10.410 -8.374 4.187) 14.001 15.235 ( -3.599 0.455 -1.893) 4.092 16.867 ( -10.669 -7.331 -2.241) 13.137======================= Grid point 1575 (517/670) =======================q-point: ( 0.58 0.32 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.120 ( 21.772 18.588 4.203) 28.934 5.112 ( 9.155 27.380 2.840) 29.009 6.059 ( 19.227 18.995 -4.811) 27.452 6.389 ( 10.676 7.773 -5.576) 14.335 7.273 ( 12.351 4.804 -1.421) 13.329 8.433 ( 23.890 20.609 3.343) 31.728 12.877 ( -10.260 -2.889 -2.714) 10.999 14.045 ( 9.307 -6.963 -2.360) 11.861 14.512 ( -13.249 -19.193 3.068) 23.523 14.762 ( -1.228 -0.311 2.229) 2.564 15.237 ( -4.649 10.515 -2.094) 11.686 16.600 ( -11.911 -6.758 0.164) 13.696======================= Grid point 1576 (518/670) =======================q-point: ( 0.63 0.32 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.668 ( 21.413 15.580 1.661) 26.533 5.426 ( 2.446 18.719 -0.788) 18.895 6.560 ( 7.283 4.501 -4.075) 9.482 6.591 ( 16.841 22.035 -0.720) 27.744 7.480 ( 9.988 0.295 -2.256) 10.244 9.043 ( 24.458 16.877 1.437) 29.751 12.658 ( -11.808 -1.276 -4.087) 12.560 13.989 ( -6.429 -19.404 -3.951) 20.820 14.253 ( 5.564 -10.092 7.538) 13.771 14.791 ( 1.615 4.101 0.590) 4.447 15.231 ( -7.766 10.323 -0.642) 12.933 16.352 ( -11.248 -3.812 1.398) 11.959======================= Grid point 1577 (519/670) =======================q-point: ( 0.68 0.32 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.124 ( 16.121 10.897 -0.351) 19.462 5.596 ( -0.223 15.379 -3.082) 15.686 6.643 ( 3.468 -0.782 -1.820) 3.994 7.044 ( 8.704 21.096 0.552) 22.828 7.601 ( 7.006 -2.499 -3.488) 8.216 9.558 ( 20.166 8.728 1.364) 22.016 12.432 ( -12.663 1.007 -5.109) 13.692 13.657 ( -4.199 -21.584 -0.836) 22.005 14.351 ( 9.817 -6.805 5.800) 13.279 14.895 ( 2.696 9.021 0.296) 9.420 15.172 ( -8.669 6.272 0.996) 10.746 16.167 ( -9.352 0.765 1.626) 9.523======================= Grid point 1578 (520/670) =======================q-point: ( 0.74 0.32 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.392 ( 6.130 5.542 -1.533) 8.405 5.718 ( -0.064 13.318 -4.950) 14.208 6.649 ( -0.334 -2.980 -0.392) 3.024 7.259 ( -2.585 11.128 1.758) 11.559 7.652 ( 2.712 -1.312 -4.334) 5.278 9.868 ( 10.362 -0.809 1.798) 10.548 12.238 ( -10.547 4.734 -5.535) 12.818 13.466 ( 5.402 -18.919 0.241) 19.677 14.467 ( 8.375 -4.710 4.478) 10.601 15.023 ( -4.985 12.563 0.183) 13.517 15.104 ( 0.393 1.233 2.675) 2.972 16.068 ( -6.279 4.905 1.500) 8.108======================= Grid point 1579 (521/670) =======================q-point: (-0.21 0.32 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.438 ( -2.892 0.328 -1.773) 3.408 5.799 ( -2.695 10.125 -5.626) 11.892 6.570 ( -4.185 -4.494 0.564) 6.166 7.208 ( -11.776 3.561 1.313) 12.373 7.617 ( -3.929 -1.692 -3.705) 5.659 9.876 ( -4.839 -8.919 1.738) 10.295 12.158 ( -4.228 8.923 -4.968) 11.053 13.472 ( 14.346 -14.768 0.306) 20.591 14.570 ( 6.247 -2.277 3.016) 7.301 14.952 ( -6.695 0.705 1.918) 7.000 15.240 ( 3.197 9.944 1.482) 10.550 16.068 ( -0.987 7.253 1.469) 7.466======================= Grid point 1590 (522/670) =======================q-point: ( 0.37 0.37 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.661 ( 0.000 18.621 17.857) 25.800 3.102 ( -0.000 35.641 8.023) 36.533 4.118 ( -0.000 51.227 0.385) 51.228 5.011 ( -0.000 3.844 -5.193) 6.461 5.929 ( -0.000 20.394 -2.969) 20.609 7.524 ( 0.000 -8.368 2.805) 8.826 13.386 ( 0.000 -16.666 0.818) 16.687 14.417 ( -0.000 5.818 0.377) 5.830 14.467 ( -0.000 0.216 -7.197) 7.200 15.218 ( 0.000 -7.314 0.210) 7.317 15.709 ( 0.000 -6.403 10.563) 12.352 17.231 ( -0.000 3.875 -11.462) 12.099======================= Grid point 1591 (523/670) =======================q-point: ( 0.42 0.37 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.927 ( 2.078 20.499 13.424) 24.591 3.501 ( 2.882 39.913 6.525) 40.545 4.677 ( 8.198 43.019 -6.676) 44.299 5.153 ( 12.274 9.799 -4.059) 16.222 6.163 ( 5.621 19.265 0.169) 20.069 7.481 ( 0.120 -1.882 4.373) 4.763 13.245 ( 1.577 -15.451 1.295) 15.585 14.239 ( -12.544 3.434 -5.606) 14.163 14.687 ( 12.140 5.368 -2.080) 13.435 15.086 ( -6.084 -7.167 0.732) 9.429 15.640 ( -2.758 -10.854 7.639) 13.556 17.210 ( -0.437 -1.570 -8.706) 8.857======================= Grid point 1592 (524/670) =======================q-point: ( 0.47 0.37 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.224 ( 4.102 22.622 9.553) 24.896 4.047 ( 10.883 43.087 6.080) 44.854 5.097 ( 11.601 17.306 -8.050) 22.336 5.571 ( 15.357 25.588 -8.765) 31.103 6.497 ( 11.344 17.858 3.135) 21.388 7.548 ( 3.874 6.451 6.164) 9.727 13.147 ( 2.449 -13.205 1.973) 13.575 14.058 ( -10.069 3.210 -6.946) 12.647 14.895 ( 2.063 -7.506 -0.240) 7.788 14.946 ( 0.725 8.302 0.733) 8.365 15.448 ( -7.301 -14.853 4.057) 17.041 17.112 ( -3.685 -6.196 -5.861) 9.291======================= Grid point 1593 (525/670) =======================q-point: ( 0.53 0.37 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.587 ( 9.048 23.788 6.531) 26.275 4.708 ( 13.724 42.283 6.575) 44.938 5.425 ( 16.363 10.221 -8.342) 21.020 5.999 ( 11.786 20.104 -9.086) 25.013 6.866 ( 11.671 13.489 1.609) 17.910 7.814 ( 11.945 17.238 6.600) 21.986 13.071 ( 0.468 -9.903 1.849) 10.085 13.924 ( -4.998 0.798 -6.481) 8.223 14.767 ( -3.524 -7.044 0.896) 7.928 15.028 ( -8.371 -6.287 4.699) 11.475 15.241 ( 1.548 -0.540 -2.875) 3.309 16.931 ( -7.027 -8.539 -3.161) 11.502======================= Grid point 1594 (526/670) =======================q-point: ( 0.58 0.37 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.033 ( 14.276 22.931 4.409) 27.369 5.278 ( 6.664 30.678 5.074) 31.801 5.864 ( 23.641 19.590 -7.310) 31.561 6.293 ( 8.733 10.395 -5.541) 14.663 7.142 ( 9.191 7.003 0.079) 11.556 8.300 ( 18.385 22.940 3.786) 29.641 12.965 ( -4.455 -6.075 0.050) 7.533 13.873 ( 2.434 -2.996 -3.948) 5.522 14.556 ( -12.319 -17.761 1.395) 21.660 14.796 ( -4.016 -3.683 2.513) 6.000 15.350 ( 1.767 9.224 -2.165) 9.638 16.704 ( -8.876 -8.223 -0.856) 12.130======================= Grid point 1595 (527/670) =======================q-point: ( 0.63 0.37 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.525 ( 16.914 20.204 2.882) 26.506 5.585 ( 1.603 19.717 0.632) 19.792 6.464 ( 8.600 5.027 -1.409) 10.060 6.508 ( 20.613 27.805 -4.992) 34.970 7.323 ( 7.854 1.217 -0.726) 7.981 8.847 ( 19.795 19.348 1.280) 27.709 12.806 ( -8.428 -2.848 -2.141) 9.150 13.887 ( 2.273 -6.645 -4.427) 8.302 14.141 ( -9.285 -21.242 5.564) 23.841 14.798 ( 1.793 3.198 1.129) 3.837 15.420 ( -3.335 8.539 -1.323) 9.262 16.485 ( -8.826 -5.080 0.677) 10.206======================= Grid point 1596 (528/670) =======================q-point: ( 0.68 0.37 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.988 ( 15.355 15.871 1.433) 22.130 5.762 ( -1.018 16.920 -1.438) 17.012 6.565 ( 4.271 0.049 -1.761) 4.620 7.106 ( 13.886 28.900 -1.074) 32.081 7.429 ( 7.308 -3.885 -2.289) 8.587 9.322 ( 18.345 10.394 0.686) 21.096 12.625 ( -10.169 0.544 -3.572) 10.792 13.594 ( -12.319 -17.728 -3.165) 21.818 14.094 ( 11.724 -11.676 6.721) 17.859 14.905 ( 4.298 7.020 0.795) 8.270 15.392 ( -7.960 6.314 -0.411) 10.169 16.324 ( -7.677 -0.048 1.222) 7.774======================= Grid point 1597 (529/670) =======================q-point: ( 0.74 0.37 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.331 ( 9.215 10.228 -0.168) 13.768 5.880 ( -2.940 15.870 -2.567) 16.343 6.605 ( 2.105 -2.056 -0.867) 3.067 7.388 ( -0.347 2.713 1.977) 3.374 7.583 ( 7.444 14.065 -5.018) 16.686 9.654 ( 14.136 0.179 1.035) 14.175 12.460 ( -10.798 5.330 -4.415) 12.826 13.266 ( -3.902 -17.566 -1.046) 18.025 14.218 ( 12.880 -10.982 5.702) 17.861 15.071 ( 5.416 8.241 1.177) 9.931 15.288 ( -10.267 5.426 0.055) 11.613 16.231 ( -6.488 4.284 1.200) 7.867======================= Grid point 1598 (530/670) =======================q-point: (-0.21 0.37 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.479 ( 0.116 4.051 -1.276) 4.249 5.958 ( -4.084 14.309 -3.383) 15.260 6.582 ( -1.553 -3.663 0.219) 3.984 7.347 ( -2.601 -4.222 1.103) 5.080 7.725 ( -5.848 12.829 -3.654) 14.565 9.791 ( 5.420 -7.684 1.125) 9.470 12.351 ( -8.801 10.233 -4.323) 14.172 13.137 ( 7.630 -14.734 -0.078) 16.592 14.344 ( 12.434 -10.790 4.305) 17.016 15.119 ( -8.506 0.720 2.108) 8.793 15.289 ( 3.057 12.239 -0.589) 12.628 16.194 ( -4.554 6.514 1.175) 8.034======================= Grid point 1610 (531/670) =======================q-point: ( 0.42 0.42 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.166 ( 0.000 24.073 8.329) 25.473 3.869 ( -0.000 39.243 1.715) 39.281 5.073 ( -0.000 5.001 -1.259) 5.157 5.087 ( -0.000 48.714 -7.260) 49.252 6.306 ( -0.000 19.154 1.845) 19.243 7.500 ( 0.000 3.074 5.854) 6.612 13.083 ( 0.000 -15.277 1.586) 15.359 14.448 ( -0.000 3.172 -7.938) 8.548 14.544 ( -0.000 6.844 0.318) 6.851 15.066 ( 0.000 -8.303 0.260) 8.307 15.573 ( 0.000 -12.995 5.782) 14.223 17.159 ( -0.000 -4.401 -7.263) 8.493======================= Grid point 1611 (532/670) =======================q-point: ( 0.47 0.42 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.443 ( 1.276 25.923 4.364) 26.319 4.316 ( 7.283 40.782 -0.170) 41.427 5.122 ( 1.071 9.944 -0.625) 10.021 5.603 ( 10.282 34.804 -9.071) 37.407 6.552 ( 5.348 19.620 4.224) 20.770 7.601 ( 2.156 10.673 7.093) 12.995 12.968 ( 2.744 -14.205 2.316) 14.652 14.285 ( -13.275 5.313 -6.279) 15.616 14.754 ( 8.980 1.323 -0.742) 9.107 14.978 ( 0.015 -3.147 0.066) 3.148 15.412 ( -4.567 -15.752 2.914) 16.658 17.065 ( -1.427 -8.111 -5.550) 9.931======================= Grid point 1612 (533/670) =======================q-point: ( 0.53 0.42 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.748 ( 3.515 26.593 2.225) 26.916 4.909 ( 14.856 41.794 0.421) 44.357 5.284 ( 7.080 9.072 -1.421) 11.595 6.004 ( 8.096 21.658 -7.824) 24.409 6.862 ( 7.204 16.791 3.236) 18.556 7.857 ( 7.635 20.857 6.905) 23.260 12.912 ( 4.727 -12.646 3.043) 13.839 14.088 ( -12.772 3.971 -6.304) 14.786 14.743 ( -1.823 -7.294 1.188) 7.612 15.088 ( -1.038 -2.507 3.109) 4.126 15.166 ( 0.846 -6.811 -3.792) 7.841 16.915 ( -3.539 -10.559 -3.690) 11.732======================= Grid point 1613 (534/670) =======================q-point: ( 0.58 0.42 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.103 ( 7.511 25.891 1.488) 26.999 5.484 ( 4.043 18.301 4.284) 19.225 5.635 ( 24.998 31.221 -5.547) 40.379 6.260 ( 6.010 11.962 -4.242) 14.043 7.107 ( 5.196 10.088 1.597) 11.460 8.291 ( 12.680 26.543 4.123) 29.703 12.888 ( 3.878 -10.451 2.842) 11.504 13.902 ( -8.649 -0.092 -4.526) 9.762 14.593 ( -9.284 -12.313 -0.179) 15.422 14.832 ( -5.767 -7.900 1.104) 9.843 15.345 ( 7.374 7.304 -2.125) 10.594 16.726 ( -5.071 -10.487 -1.801) 11.787======================= Grid point 1614 (535/670) =======================q-point: ( 0.63 0.42 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.510 ( 11.283 23.490 1.361) 26.095 5.713 ( 4.808 13.727 0.217) 14.546 6.352 ( 18.797 22.737 0.745) 29.510 6.445 ( 10.129 17.174 -4.576) 20.456 7.253 ( 3.639 4.230 0.789) 5.635 8.774 ( 13.574 22.877 1.340) 26.635 12.838 ( -0.753 -7.215 0.941) 7.315 13.790 ( -0.074 -5.068 -0.723) 5.119 14.191 ( -17.269 -17.221 -1.890) 24.462 14.802 ( 1.678 2.586 1.181) 3.301 15.490 ( 2.701 5.717 -1.615) 6.526 16.545 ( -5.172 -7.343 -0.223) 8.984======================= Grid point 1615 (536/670) =======================q-point: ( 0.68 0.42 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.930 ( 12.508 19.446 1.194) 23.152 5.914 ( 2.403 14.847 -0.448) 15.047 6.501 ( 3.294 1.378 -0.638) 3.627 7.086 ( 20.630 29.003 -2.770) 35.700 7.326 ( 2.521 1.585 0.608) 3.039 9.174 ( 12.312 13.113 0.234) 17.988 12.733 ( -4.858 -3.509 -1.105) 6.094 13.711 ( -18.905 -10.011 -5.882) 22.186 13.804 ( 9.010 -14.820 6.438) 18.500 14.905 ( 4.156 6.968 0.844) 8.157 15.529 ( -2.667 3.248 -0.981) 4.316 16.420 ( -4.274 -2.021 0.601) 4.766======================= Grid point 1616 (537/670) =======================q-point: ( 0.74 0.42 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.290 ( 9.665 14.014 0.540) 17.032 6.074 ( -1.132 16.009 -0.709) 16.065 6.547 ( 2.285 -0.731 -0.660) 2.488 7.300 ( 3.526 -7.757 -1.469) 8.646 7.676 ( 9.854 29.812 -1.127) 31.419 9.440 ( 11.054 1.187 0.361) 11.124 12.623 ( -5.310 0.882 -1.870) 5.698 13.284 ( -15.700 -11.010 -3.526) 19.497 13.889 ( 13.233 -13.682 5.570) 19.832 15.069 ( 5.211 8.923 0.873) 10.370 15.470 ( -6.504 2.092 -0.430) 6.846 16.359 ( -3.947 2.515 0.751) 4.740======================= Grid point 1617 (538/670) =======================q-point: (-0.21 0.42 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.507 ( 2.945 7.840 -0.473) 8.388 6.178 ( -4.672 15.867 -0.981) 16.570 6.558 ( 0.581 -2.153 -0.220) 2.241 7.259 ( 2.920 -9.758 -0.885) 10.224 7.994 ( -3.640 23.979 -1.731) 24.315 9.581 ( 9.586 -8.024 0.562) 12.514 12.572 ( -5.122 7.830 -2.090) 9.587 12.975 ( -6.249 -10.460 -2.206) 12.383 14.005 ( 14.399 -14.382 4.548) 20.853 15.221 ( 0.489 5.680 2.116) 6.081 15.387 ( -3.964 5.234 -1.376) 6.708 16.330 ( -4.106 4.715 0.783) 6.301======================= Grid point 1630 (539/670) =======================q-point: ( 0.47 0.47 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.704 ( -0.000 27.803 0.097) 27.803 4.611 ( -0.000 36.375 -7.029) 37.048 5.214 ( 0.000 9.521 6.603) 11.587 5.830 ( -0.000 31.824 -8.360) 32.904 6.725 ( 0.000 21.254 5.201) 21.881 7.742 ( 0.000 17.706 7.562) 19.253 12.815 ( 0.000 -13.808 2.926) 14.115 14.474 ( -0.000 4.549 -7.048) 8.389 14.676 ( -0.000 5.510 0.717) 5.557 14.908 ( 0.000 -7.172 -0.320) 7.179 15.304 ( 0.000 -16.393 0.708) 16.408 16.967 ( -0.000 -10.759 -4.839) 11.797======================= Grid point 1631 (540/670) =======================q-point: ( 0.53 0.47 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.980 ( 0.988 27.988 -2.086) 28.083 4.981 ( 10.916 25.500 -10.622) 29.702 5.392 ( 1.475 20.892 10.130) 23.265 6.095 ( 3.111 20.460 -5.076) 21.309 6.969 ( 2.552 18.671 4.285) 19.326 8.014 ( 3.857 26.665 6.611) 27.742 12.725 ( 3.392 -13.016 3.717) 13.955 14.341 ( -13.912 3.514 -5.309) 15.300 14.707 ( -0.650 -4.746 1.618) 5.057 14.989 ( 11.592 3.662 -1.600) 12.261 15.096 ( -5.207 -16.109 -2.202) 17.072 16.826 ( -1.165 -12.804 -3.800) 13.407======================= Grid point 1632 (541/670) =======================q-point: ( 0.58 0.47 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.273 ( 3.159 26.957 -2.286) 27.238 5.347 ( 15.312 9.190 -7.087) 19.213 5.782 ( 8.384 36.169 6.861) 37.757 6.294 ( 3.054 12.530 -1.683) 13.006 7.170 ( 1.513 12.368 2.959) 12.807 8.418 ( 7.326 31.098 3.940) 32.191 12.697 ( 5.944 -12.004 4.182) 14.033 14.082 ( -14.615 -2.874 -2.924) 15.179 14.634 ( -5.536 -4.172 -1.265) 7.046 14.836 ( -5.335 -10.595 -1.544) 11.962 15.233 ( 11.591 4.610 -2.266) 12.678 16.662 ( -1.821 -12.822 -2.458) 13.181======================= Grid point 1633 (542/670) =======================q-point: ( 0.63 0.47 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.599 ( 6.351 24.643 -1.486) 25.491 5.645 ( 13.413 6.878 -2.760) 15.324 6.339 ( 10.958 23.366 4.012) 26.118 6.470 ( 7.748 20.485 -1.027) 21.925 7.282 ( -0.016 6.651 1.821) 6.896 8.846 ( 7.452 27.242 1.320) 28.274 12.708 ( 5.984 -10.194 3.526) 12.335 13.801 ( -9.753 -10.433 0.963) 14.314 14.349 ( -16.570 -6.951 -6.818) 19.219 14.797 ( 2.293 2.281 1.158) 3.435 15.431 ( 8.164 2.521 -1.969) 8.768 16.514 ( -1.409 -9.836 -1.057) 9.992======================= Grid point 1634 (543/670) =======================q-point: ( 0.68 0.47 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.948 ( 8.878 20.844 -0.543) 22.662 5.921 ( 10.776 9.163 -1.086) 14.186 6.483 ( 1.418 3.074 1.083) 3.555 7.044 ( 16.379 29.241 1.100) 33.533 7.330 ( 1.654 4.919 0.219) 5.194 9.177 ( 5.055 17.499 -0.019) 18.215 12.706 ( 2.217 -6.808 1.391) 7.294 13.582 ( -0.658 -18.339 5.469) 19.149 13.967 ( -19.722 -1.390 -8.099) 21.366 14.906 ( 4.256 7.090 0.787) 8.307 15.533 ( 3.333 -0.260 -1.403) 3.626 16.427 ( -0.259 -4.489 -0.108) 4.497======================= Grid point 1635 (544/670) =======================q-point: ( 0.74 0.47 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.280 ( 8.810 15.717 0.027) 18.018 6.173 ( 6.810 12.036 -0.307) 13.833 6.520 ( 0.868 0.881 0.217) 1.255 7.208 ( -1.601 -4.192 -0.052) 4.488 7.743 ( 16.854 28.917 -0.098) 33.470 9.348 ( 2.561 4.722 -0.149) 5.373 12.659 ( -1.633 -3.326 -0.259) 3.714 13.418 ( -3.905 -16.209 2.769) 16.901 13.670 ( -7.471 -2.629 -2.784) 8.395 15.071 ( 5.340 9.318 0.456) 10.749 15.536 ( -1.146 -1.688 -0.618) 2.132 16.408 ( -0.049 0.163 0.189) 0.254======================= Grid point 1636 (545/670) =======================q-point: ( 0.79 0.47 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.527 ( 4.977 9.874 -0.044) 11.057 6.367 ( 1.066 13.266 0.202) 13.310 6.540 ( 0.386 1.253 -0.198) 1.326 7.112 ( 0.304 -10.471 -0.880) 10.512 8.234 ( 6.791 27.749 -0.543) 28.574 9.373 ( 3.560 -8.074 0.188) 8.826 12.614 ( 0.017 -1.474 0.051) 1.475 13.148 ( -15.864 0.200 -3.713) 16.294 13.644 ( 11.080 -14.581 3.800) 18.703 15.254 ( 4.530 9.193 0.699) 10.272 15.472 ( -3.694 -1.412 -0.471) 3.982 16.414 ( -1.213 2.357 0.275) 2.665======================= Grid point 1650 (546/670) =======================q-point: ( 0.53 0.53 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.234 ( -0.000 27.726 -4.360) 28.067 5.043 ( -0.000 14.575 -9.261) 17.268 5.656 ( 0.000 28.889 8.904) 30.230 6.239 ( -0.000 15.695 -1.534) 15.770 7.144 ( 0.000 16.865 4.532) 17.464 8.293 ( -0.000 32.893 5.248) 33.309 12.583 ( 0.000 -12.802 4.461) 13.557 14.511 ( -0.000 2.175 -3.712) 4.302 14.663 ( 0.000 -7.915 1.681) 8.092 14.885 ( -0.000 5.731 -1.633) 5.959 14.979 ( -0.000 -13.941 -5.257) 14.899 16.688 ( -0.000 -14.494 -3.475) 14.905======================= Grid point 1651 (547/670) =======================q-point: ( 0.58 0.53 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.489 ( 0.994 26.211 -4.398) 26.596 5.205 ( 8.697 8.632 -5.559) 13.456 6.020 ( 5.039 32.031 5.652) 32.914 6.378 ( 1.001 11.258 1.089) 11.355 7.301 ( -0.592 12.502 4.162) 13.190 8.670 ( 2.789 34.992 3.031) 35.234 12.509 ( 3.779 -12.464 5.054) 13.970 14.287 ( -16.123 -7.988 -0.510) 18.000 14.672 ( 2.013 1.265 0.020) 2.378 14.793 ( -4.549 -10.421 -6.378) 13.037 15.058 ( 11.256 4.196 -2.739) 12.321 16.532 ( -0.015 -14.544 -2.696) 14.792======================= Grid point 1652 (548/670) =======================q-point: ( 0.63 0.53 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.750 ( 2.923 23.681 -3.292) 24.087 5.454 ( 13.750 5.884 -2.518) 15.166 6.426 ( 3.765 16.253 4.120) 17.184 6.551 ( 8.376 22.780 1.461) 24.315 7.387 ( -2.592 7.890 3.263) 8.923 9.051 ( 2.632 30.763 0.923) 30.889 12.500 ( 6.911 -11.598 5.053) 14.416 13.905 ( -15.729 -13.714 1.177) 20.902 14.540 ( -12.822 -0.994 -9.196) 15.810 14.772 ( 4.380 2.842 1.575) 5.454 15.266 ( 11.137 0.417 -2.623) 11.449 16.402 ( 1.253 -11.841 -1.625) 12.018======================= Grid point 1653 (549/670) =======================q-point: ( 0.68 0.53 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.024 ( 5.350 19.909 -1.930) 20.706 5.754 ( 15.516 5.624 -0.719) 16.519 6.520 ( -0.635 4.415 2.375) 5.053 7.068 ( 16.664 28.323 2.381) 32.947 7.388 ( -4.310 3.014 1.520) 5.474 9.333 ( -0.366 21.692 -0.312) 21.697 12.544 ( 8.105 -9.122 3.957) 12.828 13.527 ( -11.389 -16.888 2.743) 20.553 14.260 ( -17.124 2.126 -8.428) 19.204 14.905 ( 4.642 7.478 0.839) 8.842 15.409 ( 8.235 -3.199 -1.989) 9.056 16.345 ( 3.200 -6.719 -0.739) 7.478======================= Grid point 1654 (550/670) =======================q-point: ( 0.74 0.53 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.296 ( 6.920 14.928 -0.686) 16.468 6.071 ( 14.819 6.701 -0.072) 16.264 6.538 ( -1.202 1.800 1.088) 2.423 7.282 ( -7.956 -0.176 2.016) 8.210 7.667 ( 21.200 22.613 0.542) 31.001 9.445 ( -4.744 10.337 -0.544) 11.386 12.605 ( 4.968 -4.271 1.596) 6.743 13.242 ( -2.535 -18.181 4.267) 18.847 13.953 ( -19.465 3.818 -6.567) 20.894 15.073 ( 5.259 9.276 0.059) 10.663 15.472 ( 4.575 -4.708 -0.805) 6.614 16.365 ( 3.936 -2.091 -0.388) 4.474======================= Grid point 1670 (551/670) =======================q-point: ( 0.58 0.58 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.712 ( -0.000 24.212 -3.976) 24.537 5.192 ( -0.000 6.943 -3.394) 7.729 6.290 ( -0.000 29.366 3.516) 29.576 6.476 ( 0.000 8.853 2.899) 9.315 7.438 ( 0.000 10.454 4.633) 11.434 9.004 ( -0.000 35.497 1.597) 35.533 12.371 ( 0.000 -12.690 5.665) 13.897 14.432 ( 0.000 -10.568 1.074) 10.622 14.500 ( 0.000 -8.925 1.384) 9.032 14.787 ( -0.000 1.831 -11.172) 11.321 14.999 ( -0.000 6.259 -1.755) 6.500 16.376 ( 0.000 -14.846 -2.443) 15.046======================= Grid point 1671 (552/670) =======================q-point: ( 0.63 0.58 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.930 ( 0.783 21.335 -2.523) 21.498 5.314 ( 8.110 5.389 -1.078) 9.797 6.544 ( -0.744 9.265 3.550) 9.949 6.641 ( 7.232 22.921 1.640) 24.091 7.522 ( -2.368 7.340 4.253) 8.807 9.339 ( -0.028 31.116 0.127) 31.116 12.305 ( 4.264 -12.368 5.853) 14.332 14.066 ( -18.078 -12.718 0.686) 22.114 14.588 ( 5.580 -6.115 -2.164) 8.556 14.761 ( -1.055 7.376 -6.046) 9.595 15.106 ( 6.423 2.594 -2.796) 7.470 16.246 ( 1.912 -12.658 -1.789) 12.926======================= Grid point 1672 (553/670) =======================q-point: ( 0.68 0.58 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.136 ( 2.306 17.219 -1.470) 17.435 5.551 ( 13.639 4.828 1.078) 14.508 6.594 ( -1.621 4.153 2.742) 5.234 7.044 ( 13.985 20.226 0.691) 24.600 7.525 ( -5.492 3.957 3.572) 7.654 9.581 ( -2.838 22.633 -0.839) 22.826 12.318 ( 8.321 -10.616 5.432) 14.541 13.638 ( -17.575 -12.628 0.770) 21.655 14.494 ( -9.949 2.030 -7.109) 12.395 14.892 ( 6.333 7.660 0.319) 9.944 15.215 ( 7.975 -3.395 -2.934) 9.151 16.197 ( 4.959 -7.974 -1.138) 9.458======================= Grid point 1673 (554/670) =======================q-point: (-0.26 -0.42 -0.79)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.332 ( 4.284 12.181 -0.393) 12.919 5.857 ( 16.055 4.645 1.778) 16.808 6.593 ( -2.429 1.464 1.342) 3.138 7.406 ( -1.234 -0.105 -1.345) 1.828 7.532 ( 12.346 15.030 4.558) 19.977 9.665 ( -7.212 12.509 -1.010) 14.474 12.415 ( 11.066 -6.808 4.257) 13.672 13.254 ( -14.064 -11.282 1.215) 18.071 14.280 ( -16.209 4.637 -6.152) 17.946 15.078 ( 5.006 9.433 -0.132) 10.680 15.296 ( 8.710 -6.566 -1.371) 10.994 16.241 ( 6.793 -3.463 -0.868) 7.674======================= Grid point 1690 (555/670) =======================q-point: ( 0.63 0.63 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.116 ( -0.000 18.587 0.243) 18.588 5.288 ( -0.000 4.327 -0.055) 4.327 6.628 ( 0.000 4.451 3.161) 5.459 6.794 ( -0.000 20.009 0.661) 20.019 7.620 ( 0.000 5.078 4.183) 6.579 9.629 ( -0.000 26.945 -0.841) 26.958 12.167 ( 0.000 -12.186 6.114) 13.634 14.211 ( 0.000 -9.721 -0.910) 9.763 14.354 ( 0.000 -6.679 1.448) 6.834 14.823 ( -0.000 7.107 -8.848) 11.349 15.090 ( -0.000 4.263 -2.179) 4.788 16.101 ( 0.000 -11.290 -1.554) 11.397======================= Grid point 1691 (556/670) =======================q-point: (-0.32 -0.37 -0.79)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.267 ( -0.465 12.740 0.758) 12.771 5.417 ( 8.661 5.720 2.784) 10.746 6.659 ( -1.184 1.995 2.314) 3.277 7.022 ( 7.483 13.158 -0.300) 15.140 7.644 ( -3.039 2.210 3.703) 5.276 9.831 ( -2.495 18.695 -1.563) 18.925 12.119 ( 4.985 -10.270 5.926) 12.863 13.863 ( -19.881 -7.387 -0.268) 21.211 14.497 ( 9.574 -2.148 -1.239) 9.890 14.866 ( 1.768 6.937 -5.475) 9.012 15.123 ( 0.953 1.403 -2.632) 3.131 16.036 ( 3.987 -7.317 -1.228) 8.422======================= Grid point 1692 (557/670) =======================q-point: (-0.26 -0.37 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.379 ( 1.991 7.509 0.798) 7.809 5.669 ( 12.448 5.529 4.391) 14.311 6.642 ( -2.173 -0.871 0.959) 2.530 7.277 ( 11.705 3.733 -1.745) 12.409 7.606 ( -3.436 1.711 4.360) 5.810 9.886 ( -6.205 8.721 -1.657) 10.831 12.181 ( 9.782 -6.576 5.312) 12.929 13.468 ( -19.334 -4.488 -0.126) 19.849 14.513 ( -7.127 3.811 -4.385) 9.195 15.028 ( 11.610 3.082 -0.764) 12.037 15.132 ( 0.929 0.251 -2.581) 2.754 16.081 ( 7.314 -2.997 -1.161) 7.989======================= Grid point 1710 (558/670) =======================q-point: (-0.32 -0.32 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.360 ( 0.000 2.443 1.735) 2.997 5.434 ( 0.000 11.844 5.352) 12.997 6.681 ( 0.000 -1.013 1.422) 1.746 7.051 ( -0.000 6.021 -0.847) 6.080 7.688 ( 0.000 -0.796 3.150) 3.249 9.991 ( -0.000 10.222 -2.172) 10.451 12.007 ( 0.000 -7.614 5.919) 9.644 14.082 ( -0.000 -2.299 -1.793) 2.916 14.272 ( 0.000 -2.665 1.594) 3.106 14.910 ( -0.000 6.975 -6.532) 9.556 15.131 ( -0.000 1.622 -2.550) 3.022 15.938 ( -0.000 -4.026 -1.180) 4.195======================= Grid point 1711 (559/670) =======================q-point: (-0.26 -0.32 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.401 ( 1.480 1.960 1.799) 3.044 5.598 ( 5.567 6.786 6.856) 11.138 6.649 ( -1.217 -4.064 0.275) 4.251 7.125 ( 6.573 -1.954 -1.281) 6.976 7.660 ( -1.920 -2.853 3.140) 4.657 10.004 ( -3.228 -0.262 -2.258) 3.948 12.020 ( 5.415 -3.235 5.580) 8.421 13.794 ( -20.834 0.775 -0.585) 20.857 14.481 ( 12.571 0.849 -0.348) 12.604 14.940 ( -0.362 3.987 -4.741) 6.206 15.138 ( 0.804 2.173 -2.505) 3.412 15.956 ( 4.596 0.236 -1.321) 4.788======================= Grid point 1730 (560/670) =======================q-point: (-0.26 -0.26 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.404 ( 0.000 0.472 2.154) 2.205 5.626 ( 0.000 1.784 7.720) 7.923 6.610 ( 0.000 -5.918 -0.101) 5.919 7.009 ( 0.000 -9.458 -1.250) 9.540 7.643 ( 0.000 -5.405 2.893) 6.131 9.966 ( 0.000 -11.382 -2.409) 11.635 11.984 ( 0.000 1.488 5.510) 5.707 14.095 ( -0.000 4.687 -1.787) 5.016 14.276 ( 0.000 1.930 1.644) 2.535 14.995 ( -0.000 5.652 -5.048) 7.578 15.118 ( -0.000 -1.043 -2.673) 2.869 15.939 ( -0.000 5.168 -1.610) 5.413======================= Grid point 1911 (561/670) =======================q-point: ( 0.26 0.26 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 670Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.475 ( 0.000 -0.000 23.835) 23.835 1.475 ( 0.000 -0.000 23.835) 23.835 2.501 ( 0.000 -0.000 40.869) 40.869 5.012 ( -0.000 0.000 -7.638) 7.638 5.012 ( -0.000 0.000 -7.638) 7.638 8.638 ( -0.000 0.000 -15.624) 15.624 14.220 ( 0.000 -0.000 0.583) 0.583 14.220 ( 0.000 -0.000 0.583) 0.583 15.104 ( 0.000 -0.000 6.309) 6.309 15.479 ( -0.000 0.000 -0.152) 0.152 15.479 ( -0.000 -0.000 -0.152) 0.152 16.094 ( -0.000 0.000 -2.866) 2.866======================= Grid point 1912 (562/670) =======================q-point: ( 0.32 0.26 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.541 ( 7.285 4.206 22.691) 24.200 1.958 ( 20.050 11.576 23.420) 32.932 2.739 ( 12.924 7.462 29.001) 32.616 5.055 ( 4.149 2.395 -7.365) 8.786 5.111 ( 12.269 7.083 -7.929) 16.235 8.266 ( -22.205 -12.820 -6.043) 26.343 14.100 ( -9.993 -5.769 0.334) 11.543 14.233 ( 1.353 0.781 0.616) 1.679 14.680 ( -20.305 -11.723 2.355) 23.565 15.467 ( -1.701 -0.982 -0.243) 1.979 15.541 ( 3.393 1.959 11.978) 12.602 16.692 ( 32.297 18.646 -17.230) 41.081======================= Grid point 1913 (563/670) =======================q-point: ( 0.37 0.26 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.937 ( 20.840 12.032 18.278) 30.218 2.328 ( 6.039 3.487 30.385) 31.175 3.377 ( 36.642 21.156 4.089) 42.508 5.145 ( 5.999 3.464 -6.979) 9.833 5.465 ( 20.413 11.785 -5.025) 24.100 7.814 ( -15.603 -9.009 -0.067) 18.017 13.835 ( -12.559 -7.251 -0.161) 14.503 14.285 ( 3.058 1.765 0.709) 3.601 14.362 ( -9.131 -5.272 -2.087) 10.748 15.401 ( -4.034 -2.329 -0.426) 4.677 15.651 ( 1.533 0.885 12.808) 12.929 17.140 ( 13.238 7.643 -16.299) 22.345======================= Grid point 1914 (564/670) =======================q-point: ( 0.42 0.26 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.566 ( 29.345 16.943 14.093) 36.699 2.574 ( 9.474 5.470 23.206) 25.656 4.278 ( 42.066 24.287 -6.745) 49.039 5.273 ( 7.378 4.260 -6.617) 10.787 5.960 ( 23.791 13.736 -0.866) 27.485 7.574 ( -6.106 -3.525 1.627) 7.236 13.556 ( -11.881 -6.859 -1.164) 13.768 14.219 ( -3.159 -1.824 -3.775) 5.249 14.374 ( 4.584 2.647 0.893) 5.368 15.286 ( -5.994 -3.460 -0.671) 6.953 15.666 ( -4.194 -2.422 10.461) 11.528 17.230 ( 0.079 0.045 -11.103) 11.103======================= Grid point 1915 (565/670) =======================q-point: ( 0.47 0.26 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.949 ( 18.303 10.567 13.712) 25.193 3.319 ( 33.011 19.059 10.993) 39.671 5.168 ( 38.796 22.399 -10.524) 46.017 5.431 ( 8.787 5.073 -6.302) 11.944 6.494 ( 22.998 13.278 0.333) 26.558 7.553 ( 3.792 2.189 3.761) 5.772 13.295 ( -10.856 -6.268 -2.367) 12.757 14.182 ( 0.724 0.418 -2.869) 2.988 14.494 ( 5.700 3.291 1.192) 6.688 15.131 ( -7.416 -4.282 -0.950) 8.616 15.528 ( -10.604 -6.122 6.541) 13.882 17.107 ( -7.607 -4.392 -6.080) 10.683======================= Grid point 1916 (566/670) =======================q-point: ( 0.53 0.26 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.474 ( 24.670 14.243 6.685) 29.260 4.086 ( 31.172 17.997 8.444) 36.971 5.634 ( 11.556 6.672 -5.756) 14.532 5.901 ( 28.506 16.458 -9.662) 34.305 6.963 ( 18.445 10.649 -1.760) 21.371 7.800 ( 17.181 9.919 5.438) 20.570 13.049 ( -10.192 -5.884 -3.528) 12.286 14.225 ( 3.527 2.036 -0.489) 4.102 14.633 ( 5.967 3.445 1.609) 7.076 14.952 ( -8.018 -4.629 -1.247) 9.342 15.245 ( -15.665 -9.044 2.598) 18.274 16.872 ( -11.626 -6.712 -1.957) 13.567======================= Grid point 1917 (567/670) =======================q-point: ( 0.58 0.26 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.076 ( 26.830 15.490 2.132) 31.053 4.724 ( 22.398 12.931 5.268) 26.394 5.936 ( 17.267 9.969 -4.055) 20.346 6.363 ( 15.474 8.934 -6.470) 19.003 7.316 ( 13.868 8.007 -2.624) 16.227 8.338 ( 27.845 16.077 3.435) 32.336 12.809 ( -10.103 -5.833 -4.476) 12.495 14.331 ( 5.439 3.140 2.665) 6.823 14.714 ( -4.221 -2.437 0.119) 4.876 14.822 ( 1.774 1.024 0.438) 2.094 14.866 ( -17.672 -10.203 -0.176) 20.407 16.589 ( -13.034 -7.525 0.729) 15.068======================= Grid point 1918 (568/670) =======================q-point: ( 0.63 0.26 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.666 ( 24.946 14.403 -1.127) 28.827 5.112 ( 11.662 6.733 1.444) 13.543 6.369 ( 20.880 12.055 -1.307) 24.146 6.591 ( 7.281 4.204 -3.970) 9.298 7.566 ( 9.117 5.263 -2.967) 10.937 9.003 ( 29.098 16.800 1.739) 33.645 12.559 ( -10.658 -6.153 -5.234) 13.374 14.448 ( -6.811 -3.933 7.801) 11.078 14.517 ( -2.038 -1.177 -3.335) 4.082 14.547 ( -7.664 -4.425 -1.427) 8.964 14.933 ( 5.000 2.887 2.200) 6.179 16.305 ( -12.317 -7.111 1.862) 14.343======================= Grid point 1919 (569/670) =======================q-point: ( 0.68 0.26 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.163 ( 19.505 11.261 -4.041) 22.882 5.298 ( 5.598 3.232 -0.986) 6.538 6.688 ( 2.587 1.494 -2.350) 3.801 6.796 ( 15.895 9.177 0.409) 18.358 7.701 ( 3.893 2.248 -3.332) 5.596 9.600 ( 22.313 12.882 1.830) 25.830 12.297 ( -10.642 -6.144 -5.876) 13.621 14.187 ( -9.592 -5.538 1.567) 11.186 14.388 ( -5.732 -3.310 -1.701) 6.834 14.668 ( 7.243 4.182 5.190) 9.844 15.038 ( 3.494 2.017 2.647) 4.825 16.064 ( -9.249 -5.340 1.918) 10.851======================= Grid point 1920 (570/670) =======================q-point: ( 0.74 0.26 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.380 ( 2.458 1.419 -2.032) 3.491 5.497 ( 11.617 6.707 -6.652) 14.973 6.693 ( -1.683 -0.972 -0.874) 2.131 7.041 ( 4.932 2.847 1.108) 5.801 7.721 ( -1.005 -0.580 -3.207) 3.410 9.967 ( 8.617 4.975 2.411) 10.238 12.070 ( -6.804 -3.928 -6.122) 9.960 14.062 ( -2.090 -1.207 1.952) 3.104 14.289 ( -2.318 -1.339 -1.776) 3.213 14.845 ( 6.592 3.806 5.848) 9.599 15.103 ( 1.389 0.802 2.809) 3.235 15.923 ( -3.404 -1.966 1.651) 4.264======================= Grid point 1931 (571/670) =======================q-point: ( 0.32 0.32 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.797 ( 0.000 22.351 21.640) 31.111 1.931 ( 0.000 21.058 17.504) 27.383 2.819 ( 0.000 7.284 31.027) 31.871 4.941 ( -0.000 0.353 -7.475) 7.484 5.157 ( -0.000 16.529 -7.693) 18.232 8.237 ( -0.000 -24.404 -7.023) 25.395 14.060 ( 0.000 -15.353 0.995) 15.385 14.252 ( -0.000 2.400 0.481) 2.447 14.734 ( 0.000 -18.554 1.422) 18.609 15.435 ( 0.000 -3.493 0.004) 3.493 15.636 ( 0.000 6.931 11.942) 13.808 16.599 ( -0.000 33.776 -16.507) 37.594======================= Grid point 1932 (572/670) =======================q-point: ( 0.37 0.32 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.034 ( 0.213 27.612 17.618) 32.755 2.374 ( 9.182 12.283 24.862) 29.211 3.157 ( 17.689 22.743 11.188) 30.909 5.007 ( 8.304 1.186 -6.761) 10.774 5.371 ( 7.658 19.904 -6.034) 22.164 7.899 ( -9.425 -18.145 -1.852) 20.530 13.872 ( -3.966 -15.763 1.012) 16.286 14.232 ( -3.700 -1.508 -0.831) 4.080 14.543 ( -6.301 -1.125 -0.706) 6.439 15.367 ( -1.536 -6.760 0.568) 6.955 15.736 ( -0.625 4.697 12.265) 13.148 16.961 ( 12.789 17.416 -16.817) 27.381======================= Grid point 1933 (573/670) =======================q-point: ( 0.42 0.32 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.494 ( 13.552 30.576 14.129) 36.307 2.616 ( 2.686 6.669 25.421) 26.419 3.892 ( 32.537 31.881 -5.188) 45.847 5.158 ( 8.892 3.910 -6.607) 11.747 5.760 ( 16.956 19.058 -1.911) 25.581 7.628 ( -6.214 -8.746 0.724) 10.753 13.642 ( -7.482 -11.572 0.199) 13.781 14.124 ( -1.271 -7.025 -3.535) 7.967 14.517 ( -4.179 11.165 0.271) 11.924 15.268 ( -1.043 -9.165 -0.006) 9.225 15.760 ( -4.057 -0.874 10.637) 11.418 17.166 ( 4.701 4.833 -12.596) 14.287======================= Grid point 1934 (574/670) =======================q-point: ( 0.47 0.32 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.865 ( 9.573 10.407 17.240) 22.297 3.151 ( 21.748 32.233 11.399) 40.520 4.744 ( 34.962 28.176 -9.905) 45.982 5.335 ( 8.491 7.926 -6.950) 13.536 6.261 ( 20.977 16.442 0.482) 26.658 7.537 ( 0.608 -0.912 2.540) 2.766 13.402 ( -9.603 -7.559 -1.328) 12.293 14.061 ( 3.782 -7.321 -3.381) 8.907 14.583 ( -2.751 12.926 1.295) 13.279 15.152 ( -2.408 -8.367 -0.782) 8.742 15.646 ( -8.501 -7.277 7.361) 13.395 17.148 ( -3.622 -1.822 -7.519) 8.543======================= Grid point 1935 (575/670) =======================q-point: ( 0.53 0.32 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.270 ( 18.268 14.227 10.051) 25.242 3.895 ( 24.154 31.445 9.276) 40.722 5.432 ( 21.014 9.446 -8.205) 24.457 5.630 ( 19.215 21.692 -8.562) 30.217 6.749 ( 19.111 12.734 -1.026) 22.988 7.670 ( 10.751 7.581 4.431) 13.881 13.164 ( -10.557 -5.045 -2.967) 12.071 14.084 ( 7.700 -6.570 -1.444) 10.225 14.672 ( -0.969 9.931 2.105) 10.198 15.019 ( -5.302 -5.178 -0.956) 7.473 15.394 ( -12.219 -11.142 3.355) 16.873 16.982 ( -9.158 -5.336 -3.084) 11.039======================= Grid point 1936 (576/670) =======================q-point: ( 0.58 0.32 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.804 ( 23.736 15.659 5.263) 28.919 4.588 ( 19.377 26.588 6.901) 33.616 5.755 ( 15.234 10.863 -6.297) 19.741 6.153 ( 18.975 14.199 -6.949) 24.697 7.134 ( 15.410 8.517 -2.668) 17.808 8.083 ( 22.134 15.991 3.571) 27.538 12.927 ( -11.045 -3.793 -4.300) 12.445 14.175 ( 10.245 -6.057 0.853) 11.932 14.732 ( -0.835 0.442 1.064) 1.423 14.851 ( -8.874 -6.273 2.742) 11.208 15.099 ( -12.101 -1.922 -1.293) 12.321 16.734 ( -12.020 -6.816 0.059) 13.818======================= Grid point 1937 (577/670) =======================q-point: ( 0.63 0.32 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.381 ( 24.749 14.747 2.097) 28.886 5.065 ( 9.450 17.887 2.897) 20.436 6.170 ( 19.268 17.234 -3.454) 26.081 6.473 ( 10.567 6.037 -4.505) 12.977 7.422 ( 12.054 4.724 -3.035) 13.297 8.696 ( 27.681 18.523 1.513) 33.341 12.685 ( -11.672 -3.298 -5.225) 13.206 14.286 ( 8.983 -10.442 -0.189) 13.776 14.512 ( -9.461 -14.178 5.413) 17.883 14.744 ( -4.029 0.425 -0.006) 4.051 15.011 ( -5.744 11.473 -0.010) 12.830 16.460 ( -12.747 -6.434 1.644) 14.373======================= Grid point 1938 (578/670) =======================q-point: ( 0.68 0.32 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.908 ( 21.294 11.492 -0.400) 24.201 5.310 ( 3.001 12.557 -0.725) 12.931 6.618 ( 7.716 4.152 -3.413) 9.403 6.664 ( 14.268 15.700 -0.429) 21.219 7.606 ( 7.737 1.138 -3.552) 8.589 9.328 ( 25.819 14.820 1.246) 29.797 12.431 ( -12.529 -2.852 -5.864) 14.124 14.089 ( -4.103 -22.481 -1.257) 22.887 14.473 ( 3.467 -3.540 7.030) 8.601 14.714 ( -3.238 9.396 -0.445) 9.949 15.052 ( -1.361 6.510 2.256) 7.023 16.206 ( -11.574 -4.056 1.924) 12.414======================= Grid point 1939 (579/670) =======================q-point: ( 0.74 0.32 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.280 ( 12.058 5.314 -1.785) 13.298 5.452 ( 2.332 11.862 -3.882) 12.697 6.681 ( 1.596 -0.610 -1.846) 2.515 7.016 ( 7.163 12.660 0.735) 14.565 7.682 ( 3.115 -1.582 -3.644) 5.048 9.813 ( 16.994 7.067 1.903) 18.503 12.182 ( -11.455 -1.076 -6.110) 13.027 13.860 ( 3.001 -20.811 0.297) 21.028 14.481 ( -4.015 5.087 1.925) 6.761 14.816 ( 2.915 7.684 3.960) 9.122 15.095 ( 0.919 1.440 2.756) 3.243 16.022 ( -8.176 -0.051 1.583) 8.328======================= Grid point 1951 (580/670) =======================q-point: ( 0.37 0.37 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.405 ( 0.000 19.329 22.912) 29.976 2.508 ( 0.000 28.168 10.071) 29.914 3.297 ( 0.000 29.793 10.374) 31.547 4.926 ( -0.000 2.789 -5.701) 6.347 5.496 ( -0.000 21.956 -5.469) 22.627 7.784 ( 0.000 -17.789 -0.873) 17.811 13.728 ( 0.000 -18.038 1.298) 18.085 14.319 ( -0.000 4.227 0.268) 4.235 14.500 ( -0.000 -6.503 -3.882) 7.574 15.346 ( 0.000 -5.667 0.314) 5.675 15.808 ( 0.000 0.727 12.419) 12.440 16.980 ( -0.000 17.753 -15.388) 23.494======================= Grid point 1952 (581/670) =======================q-point: ( 0.42 0.37 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.668 ( 3.745 17.093 18.757) 25.651 2.826 ( -0.078 27.789 12.327) 30.400 3.808 ( 16.318 40.218 -2.560) 43.478 5.020 ( 8.447 4.267 -4.748) 10.588 5.756 ( 7.111 21.976 -2.448) 23.227 7.611 ( -2.781 -10.406 0.950) 10.813 13.561 ( -0.252 -16.437 1.423) 16.500 14.190 ( -11.074 -0.327 -3.823) 11.720 14.579 ( 7.196 4.422 -1.624) 8.600 15.232 ( -4.905 -7.331 0.673) 8.846 15.824 ( -1.680 -4.269 10.112) 11.104 17.111 ( 3.710 8.408 -12.071) 15.171======================= Grid point 1953 (582/670) =======================q-point: ( 0.47 0.37 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.926 ( 4.219 12.222 15.538) 20.214 3.271 ( 10.247 38.450 9.372) 40.881 4.513 ( 23.716 35.288 -8.981) 43.455 5.232 ( 10.894 8.870 -5.812) 15.203 6.140 ( 14.099 19.715 1.106) 24.262 7.526 ( -0.096 -2.157 2.499) 3.302 13.408 ( -1.827 -12.788 1.284) 12.982 14.012 ( -6.367 -1.334 -5.362) 8.431 14.737 ( 2.100 10.928 0.091) 11.128 15.082 ( -2.479 -9.585 0.177) 9.902 15.717 ( -6.464 -9.977 6.927) 13.759 17.147 ( -0.564 0.312 -7.964) 7.990======================= Grid point 1954 (583/670) =======================q-point: ( 0.53 0.37 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.221 ( 9.774 16.409 10.307) 21.703 3.927 ( 17.323 39.450 8.409) 43.899 5.149 ( 22.054 17.726 -8.920) 29.667 5.542 ( 13.681 19.847 -7.922) 25.374 6.584 ( 16.242 15.837 0.971) 22.706 7.607 ( 6.689 6.615 4.025) 10.232 13.248 ( -5.690 -7.897 -0.178) 9.735 13.927 ( 1.158 -3.620 -4.026) 5.536 14.820 ( -4.705 7.121 2.164) 8.806 15.003 ( 1.972 -3.311 -0.925) 3.963 15.469 ( -10.200 -14.335 3.368) 17.913 17.048 ( -5.802 -4.610 -4.077) 8.458======================= Grid point 1955 (584/670) =======================q-point: ( 0.58 0.37 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.647 ( 16.656 18.468 6.614) 25.734 4.623 ( 16.136 36.187 7.719) 40.366 5.558 ( 17.701 10.688 -8.360) 22.303 5.988 ( 16.222 18.772 -6.713) 25.703 6.968 ( 13.836 10.544 -1.276) 17.442 7.927 ( 16.390 16.035 3.747) 23.233 13.058 ( -9.318 -4.130 -2.417) 10.475 13.948 ( 7.586 -5.958 -1.280) 9.730 14.762 ( -3.565 -3.545 0.650) 5.070 14.967 ( -9.365 -5.369 4.655) 11.756 15.213 ( -4.476 -1.900 -2.373) 5.411 16.850 ( -9.483 -6.888 -0.995) 11.763======================= Grid point 1956 (585/670) =======================q-point: ( 0.63 0.37 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.164 ( 20.603 17.967 4.254) 27.666 5.151 ( 7.210 25.471 4.535) 26.857 6.002 ( 21.157 19.904 -6.143) 29.691 6.338 ( 11.456 8.781 -4.197) 15.032 7.254 ( 11.760 5.411 -2.146) 13.122 8.459 ( 23.059 20.130 1.519) 30.647 12.841 ( -11.296 -2.160 -4.107) 12.212 14.031 ( 9.348 -8.596 -0.306) 12.703 14.546 ( -11.070 -17.520 3.498) 21.017 14.783 ( -2.653 -1.715 1.981) 3.729 15.219 ( -4.039 10.958 -1.341) 11.756 16.606 ( -11.134 -6.700 0.927) 13.027======================= Grid point 1957 (586/670) =======================q-point: ( 0.68 0.37 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.689 ( 20.129 15.358 2.429) 25.435 5.423 ( 1.077 17.425 0.346) 17.462 6.515 ( 9.335 7.906 -4.390) 12.997 6.582 ( 16.566 20.040 -1.190) 26.028 7.453 ( 9.338 0.600 -2.901) 9.796 9.054 ( 24.454 16.746 0.675) 29.646 12.610 ( -12.495 -0.755 -5.101) 13.517 13.951 ( -4.750 -19.308 -3.273) 20.152 14.341 ( 4.930 -10.954 9.285) 15.182 14.793 ( 1.030 4.502 -0.278) 4.627 15.231 ( -6.832 10.114 0.593) 12.219 16.368 ( -10.959 -3.968 1.600) 11.764======================= Grid point 1958 (587/670) =======================q-point: ( 0.74 0.37 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.125 ( 14.869 10.866 0.603) 18.426 5.568 ( -1.378 14.838 -2.220) 15.066 6.621 ( 3.988 -0.011 -2.430) 4.670 7.047 ( 9.566 21.708 -0.011) 23.722 7.563 ( 6.578 -2.813 -3.766) 8.086 9.571 ( 20.564 8.701 1.160) 22.359 12.376 ( -13.099 1.412 -5.597) 14.314 13.648 ( -3.128 -21.497 -0.969) 21.745 14.419 ( 8.598 -7.303 7.129) 13.345 14.895 ( 2.731 9.505 -0.214) 9.892 15.188 ( -7.598 5.589 2.156) 9.675 16.183 ( -9.327 0.579 1.431) 9.454======================= Grid point 1971 (588/670) =======================q-point: ( 0.42 0.42 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.842 ( 0.000 13.828 16.786) 21.748 3.160 ( -0.000 33.953 2.947) 34.081 4.107 ( -0.000 47.667 -2.604) 47.738 4.971 ( -0.000 4.718 -2.272) 5.236 5.908 ( -0.000 22.181 -1.106) 22.208 7.549 ( 0.000 -6.692 2.091) 7.011 13.399 ( 0.000 -16.670 1.642) 16.751 14.395 ( -0.000 -0.851 -6.680) 6.734 14.419 ( -0.000 5.849 0.027) 5.850 15.222 ( 0.000 -7.349 0.606) 7.374 15.809 ( 0.000 -8.086 8.515) 11.743 17.119 ( -0.000 6.049 -9.868) 11.574======================= Grid point 1972 (589/670) =======================q-point: ( 0.47 0.42 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.055 ( 2.147 16.000 10.920) 19.490 3.548 ( 5.034 37.806 2.212) 38.204 4.609 ( 6.336 42.068 -6.160) 42.986 5.119 ( 10.611 9.691 -2.210) 14.540 6.174 ( 6.402 21.019 1.920) 22.056 7.522 ( 0.201 -0.082 3.328) 3.335 13.263 ( 1.701 -15.288 2.134) 15.530 14.181 ( -13.079 2.807 -5.562) 14.487 14.667 ( 12.598 5.390 -1.791) 13.819 15.095 ( -5.770 -7.180 0.961) 9.262 15.710 ( -3.312 -12.597 5.739) 14.233 17.126 ( 0.068 0.019 -7.191) 7.191======================= Grid point 1973 (590/670) =======================q-point: ( 0.53 0.42 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.308 ( 4.551 19.297 6.452) 20.849 4.098 ( 12.991 41.307 3.478) 43.441 5.027 ( 10.033 19.770 -5.088) 22.746 5.489 ( 14.003 23.436 -6.618) 28.091 6.529 ( 10.847 18.550 3.081) 21.709 7.602 ( 4.019 8.106 4.365) 10.046 13.170 ( 2.241 -12.799 2.466) 13.226 13.991 ( -10.131 2.846 -5.894) 12.062 14.889 ( 5.074 -4.526 -0.821) 6.849 14.955 ( -1.326 5.645 1.061) 5.895 15.483 ( -8.180 -16.755 2.785) 18.852 17.058 ( -2.824 -5.242 -4.501) 7.465======================= Grid point 1974 (591/670) =======================q-point: ( 0.58 0.42 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.643 ( 9.533 21.624 4.177) 23.999 4.776 ( 15.287 42.063 6.131) 45.173 5.343 ( 14.580 10.072 -7.003) 19.054 5.921 ( 12.404 21.025 -5.941) 25.124 6.880 ( 10.309 13.594 1.011) 17.091 7.870 ( 11.365 17.551 4.103) 21.308 13.088 ( -0.869 -9.040 1.414) 9.191 13.867 ( -3.786 0.278 -4.301) 5.736 14.775 ( -3.681 -7.063 0.612) 7.988 15.076 ( -7.389 -5.343 4.592) 10.210 15.207 ( 0.879 -2.714 -3.557) 4.560 16.904 ( -6.021 -8.093 -2.041) 10.291======================= Grid point 1975 (592/670) =======================q-point: ( 0.63 0.42 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.073 ( 14.555 21.600 3.217) 26.244 5.339 ( 4.389 28.424 6.593) 29.507 5.784 ( 25.536 21.619 -8.078) 34.420 6.247 ( 9.262 11.468 -3.337) 15.114 7.140 ( 8.392 7.657 -0.425) 11.368 8.329 ( 17.387 22.375 1.856) 28.397 12.959 ( -6.380 -4.977 -1.108) 8.167 13.844 ( 3.724 -3.597 -1.484) 5.386 14.570 ( -11.024 -17.503 1.205) 20.720 14.820 ( -4.588 -5.282 1.893) 7.248 15.331 ( 2.087 9.611 -1.392) 9.933 16.699 ( -8.000 -8.121 -0.136) 11.400======================= Grid point 1976 (593/670) =======================q-point: ( 0.68 0.42 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.554 ( 16.822 19.364 2.659) 25.788 5.597 ( 0.371 18.199 1.651) 18.278 6.435 ( 8.470 10.032 -4.448) 13.862 6.472 ( 21.739 24.865 -1.547) 33.064 7.314 ( 7.019 1.911 -1.185) 7.371 8.856 ( 19.495 19.085 0.418) 27.285 12.779 ( -9.781 -1.883 -3.042) 10.415 13.846 ( -0.423 -8.881 -3.400) 9.519 14.205 ( -4.635 -20.154 6.687) 21.734 14.806 ( 1.476 3.197 0.365) 3.540 15.412 ( -2.887 8.465 -0.234) 8.947 16.493 ( -8.320 -5.200 0.879) 9.850======================= Grid point 1977 (594/670) =======================q-point: ( 0.74 0.42 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.005 ( 14.785 15.277 1.796) 21.336 5.752 ( -1.968 16.637 -0.414) 16.758 6.544 ( 4.258 0.915 -2.168) 4.864 7.090 ( 15.441 29.134 -1.857) 33.025 7.406 ( 5.745 -3.511 -1.983) 7.019 9.328 ( 18.613 10.325 0.525) 21.291 12.585 ( -11.143 1.456 -3.973) 11.919 13.559 ( -10.466 -17.748 -3.341) 20.873 14.173 ( 11.075 -12.860 8.259) 18.874 14.909 ( 4.221 7.412 -0.052) 8.530 15.394 ( -7.418 5.907 0.848) 9.521 16.335 ( -7.508 -0.260 1.016) 7.581======================= Grid point 1991 (595/670) =======================q-point: ( 0.47 0.47 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.240 ( 0.000 19.777 5.712) 20.585 3.858 ( -0.000 37.469 -3.830) 37.665 5.014 ( -0.000 46.653 -6.449) 47.097 5.081 ( 0.000 6.658 2.805) 7.225 6.336 ( -0.000 21.009 3.771) 21.345 7.553 ( 0.000 4.868 4.321) 6.509 13.105 ( 0.000 -15.016 2.654) 15.249 14.368 ( -0.000 3.007 -7.452) 8.036 14.545 ( -0.000 6.988 -0.170) 6.990 15.071 ( 0.000 -8.507 0.713) 8.537 15.624 ( 0.000 -14.838 3.840) 15.327 17.090 ( -0.000 -3.263 -5.885) 6.729======================= Grid point 1992 (596/670) =======================q-point: ( 0.53 0.47 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.475 ( 1.796 22.710 1.610) 22.838 4.286 ( 9.584 38.083 -5.441) 39.645 5.140 ( -1.324 13.866 3.788) 14.435 5.524 ( 10.117 33.193 -5.823) 35.186 6.600 ( 4.980 20.287 4.848) 21.445 7.664 ( 2.126 12.087 4.952) 13.234 12.998 ( 2.803 -13.863 3.353) 14.536 14.221 ( -13.202 5.228 -6.090) 15.451 14.745 ( 9.484 2.712 -1.029) 9.918 14.980 ( -0.253 -4.322 0.459) 4.354 15.436 ( -4.884 -17.581 1.611) 18.317 17.013 ( -1.032 -7.393 -4.426) 8.678======================= Grid point 1993 (597/670) =======================q-point: ( 0.58 0.47 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.759 ( 4.596 24.469 -0.152) 24.897 4.879 ( 19.387 36.509 -5.815) 41.745 5.306 ( 2.432 14.527 5.155) 15.605 5.941 ( 8.420 23.193 -4.200) 25.029 6.895 ( 6.016 16.492 3.094) 17.825 7.916 ( 7.111 20.982 4.445) 22.596 12.947 ( 4.473 -12.250 3.713) 13.559 14.027 ( -12.598 4.398 -5.368) 14.383 14.754 ( -1.879 -6.859 0.956) 7.175 15.109 ( 9.650 7.225 -1.432) 12.139 15.134 ( -9.494 -18.734 -0.046) 21.003 16.881 ( -2.843 -10.156 -2.815) 10.916======================= Grid point 1994 (598/670) =======================q-point: ( 0.63 0.47 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.109 ( 8.705 24.498 -0.166) 25.999 5.482 ( 13.875 8.763 -5.065) 17.174 5.628 ( 14.815 41.129 4.726) 43.971 6.229 ( 6.089 13.380 -1.717) 14.800 7.122 ( 4.371 10.388 1.277) 11.342 8.325 ( 11.732 25.795 2.261) 28.427 12.917 ( 2.669 -9.908 2.727) 10.618 13.862 ( -7.723 1.133 -2.992) 8.360 14.589 ( -9.695 -14.492 -0.585) 17.446 14.838 ( -4.733 -8.096 0.170) 9.380 15.327 ( 7.501 7.316 -1.136) 10.540 16.711 ( -4.280 -10.308 -1.231) 11.229======================= Grid point 1995 (599/670) =======================q-point: ( 0.68 0.47 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.519 ( 12.217 22.521 0.464) 25.625 5.715 ( 5.721 11.887 0.120) 13.193 6.363 ( 21.637 32.061 1.123) 38.695 6.407 ( 5.336 11.013 -2.482) 12.487 7.259 ( 3.068 4.611 0.265) 5.544 8.783 ( 13.076 22.427 0.465) 25.964 12.844 ( -2.548 -6.485 0.334) 6.975 13.785 ( -0.358 -2.412 -0.230) 2.450 14.177 ( -14.635 -20.839 -0.679) 25.474 14.810 ( 1.571 2.600 0.428) 3.068 15.478 ( 2.983 5.534 -0.587) 6.314 16.544 ( -4.560 -7.348 -0.070) 8.649======================= Grid point 1996 (600/670) =======================q-point: ( 0.74 0.47 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.941 ( 12.930 18.712 0.923) 22.763 5.913 ( 2.369 14.387 0.348) 14.585 6.493 ( 2.669 2.140 -0.898) 3.537 7.061 ( 19.221 28.924 -2.062) 34.790 7.331 ( 2.840 2.798 0.195) 3.992 9.176 ( 12.393 12.959 0.133) 17.931 12.720 ( -5.998 -2.655 -1.295) 6.686 13.644 ( -16.520 -8.470 -6.422) 19.644 13.883 ( 8.249 -17.457 8.094) 20.936 14.910 ( 4.090 7.106 0.026) 8.199 15.525 ( -2.285 2.992 0.223) 3.771 16.425 ( -3.974 -2.176 0.368) 4.546======================= Grid point 2011 (601/670) =======================q-point: ( 0.53 0.53 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.695 ( -0.000 25.350 -1.988) 25.428 4.519 ( -0.000 33.438 -10.220) 34.965 5.297 ( 0.000 12.742 8.963) 15.579 5.763 ( -0.000 33.010 -4.529) 33.320 6.781 ( 0.000 21.008 5.640) 21.752 7.809 ( 0.000 18.431 5.156) 19.139 12.852 ( 0.000 -13.412 4.083) 14.020 14.402 ( -0.000 5.291 -6.861) 8.664 14.679 ( -0.000 6.330 -0.035) 6.330 14.908 ( 0.000 -8.116 0.303) 8.122 15.306 ( 0.000 -18.488 -0.182) 18.488 16.920 ( -0.000 -10.259 -4.008) 11.014======================= Grid point 2012 (602/670) =======================q-point: ( 0.58 0.53 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.951 ( 1.622 26.527 -3.482) 26.804 4.870 ( 11.386 25.191 -10.585) 29.602 5.496 ( 1.158 21.541 9.885) 23.729 6.060 ( 3.204 22.744 -1.687) 23.030 7.015 ( 1.825 18.148 4.472) 18.780 8.071 ( 3.512 26.197 4.317) 26.781 12.769 ( 3.340 -12.635 4.728) 13.898 14.286 ( -13.562 4.835 -5.115) 15.280 14.723 ( -0.732 -4.450 1.312) 4.697 14.964 ( 10.364 2.309 -3.259) 11.107 15.080 ( -4.011 -17.570 -0.733) 18.037 16.789 ( -0.814 -12.438 -3.212) 12.872======================= Grid point 2013 (603/670) =======================q-point: ( 0.63 0.53 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.244 ( 4.187 26.202 -3.268) 26.735 5.273 ( 16.711 12.731 -6.965) 22.133 5.857 ( 7.144 33.166 7.409) 34.726 6.288 ( 2.802 14.096 0.474) 14.380 7.200 ( 0.670 12.503 2.911) 12.854 8.450 ( 6.654 30.078 2.282) 30.889 12.744 ( 5.510 -11.695 4.764) 13.778 14.055 ( -14.156 -0.240 -2.261) 14.337 14.614 ( -7.547 -8.929 -2.554) 11.967 14.820 ( -3.023 -8.761 -1.604) 9.406 15.215 ( 11.684 4.000 -1.123) 12.400 16.638 ( -1.237 -12.549 -2.093) 12.783======================= Grid point 2014 (604/670) =======================q-point: ( 0.68 0.53 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.579 ( 7.436 24.221 -2.186) 25.431 5.618 ( 14.601 7.839 -2.410) 16.747 6.385 ( 9.121 20.820 4.832) 23.238 6.465 ( 7.665 23.589 0.022) 24.803 7.299 ( -0.873 6.777 1.548) 7.006 8.856 ( 6.989 26.572 0.483) 27.480 12.744 ( 4.744 -9.898 3.511) 11.524 13.817 ( -8.575 -7.810 2.166) 11.799 14.277 ( -16.043 -10.208 -7.073) 20.288 14.805 ( 2.195 2.574 0.466) 3.415 15.415 ( 8.457 2.139 -0.958) 8.776 16.503 ( -0.829 -9.689 -0.997) 9.775======================= Grid point 2031 (605/670) =======================q-point: ( 0.58 0.58 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.187 ( -0.000 27.222 -4.472) 27.586 4.949 ( -0.000 17.840 -8.757) 19.873 5.744 ( 0.000 26.040 8.048) 27.255 6.236 ( -0.000 17.847 0.999) 17.875 7.192 ( 0.000 16.598 4.697) 17.249 8.338 ( -0.000 31.787 3.341) 31.962 12.635 ( 0.000 -12.445 5.453) 13.587 14.469 ( -0.000 5.115 -4.480) 6.800 14.681 ( 0.000 -8.088 1.656) 8.256 14.867 ( -0.000 5.744 -1.801) 6.020 14.928 ( -0.000 -17.737 -4.365) 18.266 16.653 ( 0.000 -14.124 -3.117) 14.464======================= Grid point 2032 (606/670) =======================q-point: ( 0.63 0.58 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.445 ( 1.245 26.460 -3.946) 26.782 5.150 ( 9.223 11.586 -5.041) 15.643 6.077 ( 4.967 29.584 5.307) 30.464 6.397 ( 0.698 12.427 2.529) 12.701 7.344 ( -1.074 12.605 4.162) 13.317 8.694 ( 2.489 33.801 1.659) 33.933 12.565 ( 3.613 -12.208 5.794) 13.988 14.284 ( -16.049 -5.381 -0.110) 16.928 14.648 ( -3.198 -1.213 -5.154) 6.185 14.746 ( 0.917 -10.680 -1.998) 10.903 15.033 ( 11.340 3.574 -1.986) 12.054 16.505 ( 0.283 -14.170 -2.517) 14.395======================= Grid point 2033 (607/670) =======================q-point: (-0.32 -0.42 -0.74)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.718 ( 3.300 24.205 -3.000) 24.613 5.433 ( 14.124 7.705 -1.492) 16.158 6.470 ( 3.075 14.298 4.353) 15.259 6.567 ( 8.578 23.794 1.521) 25.338 7.421 ( -3.405 8.065 3.227) 9.330 9.057 ( 2.364 29.948 0.143) 30.041 12.555 ( 6.329 -11.436 5.394) 14.140 13.922 ( -15.100 -13.501 2.213) 20.376 14.441 ( -12.408 -1.209 -9.729) 15.814 14.786 ( 3.979 2.907 1.058) 5.040 15.243 ( 11.572 -0.153 -1.754) 11.705 16.385 ( 1.679 -11.545 -1.662) 11.784======================= Grid point 2051 (608/670) =======================q-point: (-0.37 -0.37 -0.74)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.679 ( -0.000 25.386 -2.372) 25.497 5.159 ( -0.000 9.199 -2.942) 9.658 6.324 ( -0.000 27.474 2.979) 27.635 6.510 ( 0.000 9.327 3.582) 9.991 7.486 ( 0.000 10.453 4.505) 11.382 9.016 ( -0.000 34.387 0.539) 34.391 12.434 ( 0.000 -12.552 6.281) 14.036 14.447 ( 0.000 -11.278 1.948) 11.445 14.515 ( 0.000 -8.991 1.549) 9.123 14.669 ( -0.000 2.188 -11.318) 11.528 14.979 ( -0.000 6.181 -2.120) 6.535 16.350 ( 0.000 -14.404 -2.405) 14.603======================= Grid point 2052 (609/670) =======================q-point: (-0.32 -0.37 -0.74)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.911 ( 0.266 22.722 -1.061) 22.749 5.307 ( 8.622 7.117 -0.188) 11.182 6.581 ( -0.599 8.949 3.614) 9.670 6.656 ( 6.950 21.780 1.107) 22.889 7.566 ( -2.673 7.244 4.112) 8.748 9.337 ( -0.097 30.292 -0.576) 30.298 12.368 ( 4.051 -12.358 6.227) 14.419 14.076 ( -17.840 -13.551 1.137) 22.431 14.545 ( -1.302 -2.878 -6.161) 6.924 14.720 ( 6.380 4.904 -1.897) 8.267 15.077 ( 6.111 2.460 -2.637) 7.096 16.226 ( 2.109 -12.258 -1.910) 12.584======================= Grid point 2071 (610/670) =======================q-point: (-0.32 -0.32 -0.74)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.130 ( -0.000 20.615 2.275) 20.740 5.290 ( -0.000 5.439 0.492) 5.461 6.660 ( 0.000 3.809 2.914) 4.795 6.798 ( -0.000 19.119 0.133) 19.119 7.663 ( 0.000 4.685 3.962) 6.136 9.617 ( -0.000 26.252 -1.400) 26.290 12.233 ( 0.000 -12.311 6.379) 13.866 14.201 ( 0.000 -10.561 -1.118) 10.619 14.370 ( 0.000 -6.674 1.653) 6.876 14.736 ( -0.000 8.140 -7.715) 11.215 15.065 ( -0.000 4.170 -2.539) 4.882 16.084 ( 0.000 -10.894 -1.785) 11.040======================= Grid point 2292 (611/670) =======================q-point: ( 0.32 0.32 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 670Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.704 ( 0.000 -0.000 20.321) 20.321 1.704 ( 0.000 -0.000 20.321) 20.321 2.896 ( 0.000 -0.000 35.074) 35.074 4.933 ( -0.000 0.000 -7.603) 7.603 4.933 ( -0.000 0.000 -7.603) 7.603 8.476 ( -0.000 0.000 -15.454) 15.454 14.226 ( 0.000 -0.000 0.537) 0.537 14.226 ( 0.000 -0.000 0.537) 0.537 15.169 ( 0.000 -0.000 6.123) 6.123 15.477 ( -0.000 0.000 -0.141) 0.141 15.477 ( 0.000 -0.000 -0.141) 0.141 16.063 ( -0.000 0.000 -3.013) 3.013======================= Grid point 2293 (612/670) =======================q-point: ( 0.37 0.32 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.766 ( 6.500 3.752 20.465) 21.798 2.172 ( 23.854 13.772 17.819) 32.806 3.020 ( 3.063 1.769 24.910) 25.160 4.977 ( 4.292 2.478 -7.536) 9.020 5.036 ( 12.824 7.404 -6.470) 16.160 8.190 ( -17.253 -9.961 -8.289) 21.578 14.102 ( -10.198 -5.888 0.106) 11.776 14.240 ( 1.391 0.803 0.639) 1.729 14.704 ( -21.816 -12.596 2.277) 25.294 15.464 ( -1.777 -1.026 -0.392) 2.089 15.663 ( 5.305 3.063 11.693) 13.200 16.527 ( 29.099 16.800 -14.809) 36.719======================= Grid point 2294 (613/670) =======================q-point: ( 0.42 0.32 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.126 ( 19.088 11.021 17.903) 28.396 2.631 ( 6.430 3.712 27.796) 28.771 3.390 ( 29.437 16.995 -1.802) 34.039 5.070 ( 6.186 3.572 -7.390) 10.278 5.423 ( 21.988 12.695 -3.141) 25.584 7.803 ( -13.814 -7.975 -1.813) 16.053 13.830 ( -12.925 -7.462 -0.869) 14.950 14.293 ( 3.118 1.800 0.787) 3.685 14.350 ( -10.618 -6.130 -0.281) 12.264 15.396 ( -4.114 -2.375 -0.689) 4.800 15.782 ( 0.973 0.562 12.273) 12.324 16.978 ( 14.931 8.620 -14.771) 22.703======================= Grid point 2295 (614/670) =======================q-point: ( 0.47 0.32 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.717 ( 27.719 16.004 14.770) 35.251 2.805 ( 5.328 3.076 20.973) 21.856 4.194 ( 40.434 23.345 -9.033) 47.555 5.200 ( 7.565 4.368 -7.323) 11.399 5.953 ( 24.726 14.275 -0.666) 28.559 7.586 ( -5.137 -2.966 0.695) 5.972 13.538 ( -12.321 -7.114 -2.265) 14.407 14.195 ( -3.518 -2.031 -0.853) 4.150 14.384 ( 4.680 2.702 0.995) 5.495 15.277 ( -6.070 -3.504 -0.974) 7.076 15.769 ( -5.690 -3.285 9.221) 11.323 17.121 ( 2.376 1.372 -9.618) 10.002======================= Grid point 2296 (615/670) =======================q-point: ( 0.53 0.32 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.086 ( 14.862 8.581 12.373) 21.157 3.440 ( 31.668 18.284 12.183) 38.543 5.065 ( 38.621 22.298 -9.099) 45.514 5.360 ( 9.020 5.208 -7.383) 12.766 6.489 ( 22.511 12.997 -1.435) 26.034 7.586 ( 4.962 2.865 2.506) 6.254 13.263 ( -11.252 -6.497 -3.659) 13.498 14.170 ( 1.072 0.619 0.464) 1.321 14.507 ( 5.842 3.373 1.268) 6.864 15.120 ( -7.490 -4.324 -1.206) 8.732 15.589 ( -12.266 -7.082 5.163) 15.075 17.053 ( -5.681 -3.280 -4.307) 7.848======================= Grid point 2297 (616/670) =======================q-point: ( 0.58 0.32 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.545 ( 22.336 12.895 6.741) 26.657 4.182 ( 29.766 17.185 9.991) 35.794 5.567 ( 12.138 7.008 -7.265) 15.787 5.813 ( 29.284 16.907 -7.128) 34.557 6.935 ( 17.990 10.387 -3.445) 21.057 7.844 ( 17.243 9.955 2.945) 20.127 13.005 ( -10.479 -6.050 -4.833) 13.029 14.237 ( 4.230 2.442 2.586) 5.527 14.649 ( 6.124 3.535 1.550) 7.239 14.938 ( -8.065 -4.657 -1.325) 9.407 15.269 ( -16.897 -9.755 2.082) 19.621 16.860 ( -10.352 -5.977 -0.385) 11.960======================= Grid point 2298 (617/670) =======================q-point: ( 0.63 0.32 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.104 ( 25.122 14.504 3.281) 29.193 4.786 ( 20.283 11.710 6.703) 24.361 5.886 ( 18.786 10.846 -5.540) 22.388 6.302 ( 16.350 9.440 -5.109) 19.559 7.282 ( 13.987 8.075 -3.718) 16.573 8.362 ( 27.225 15.719 1.160) 31.459 12.755 ( -10.266 -5.927 -5.666) 13.139 14.369 ( 6.290 3.632 4.456) 8.521 14.709 ( -6.010 -3.470 -0.895) 6.997 14.832 ( 3.687 2.129 1.360) 4.469 14.871 ( -18.314 -10.574 1.124) 21.177 16.602 ( -12.466 -7.197 1.711) 14.495======================= Grid point 2299 (618/670) =======================q-point: ( 0.68 0.32 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.663 ( 23.363 13.489 0.607) 26.984 5.131 ( 9.889 5.709 2.271) 11.642 6.351 ( 22.250 12.846 -2.218) 25.788 6.549 ( 7.940 4.584 -3.944) 9.980 7.530 ( 9.077 5.241 -3.944) 11.199 9.015 ( 29.211 16.865 0.613) 33.735 12.499 ( -10.762 -6.213 -6.194) 13.885 14.471 ( -12.084 -6.977 -2.507) 14.177 14.531 ( -7.768 -4.485 -1.582) 9.108 14.557 ( 3.771 2.177 9.976) 10.885 14.956 ( 5.212 3.009 2.292) 6.440 16.326 ( -12.283 -7.092 2.222) 14.357======================= Grid point 2312 (619/670) =======================q-point: ( 0.37 0.37 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.011 ( 0.000 22.518 19.420) 29.735 2.090 ( 0.000 18.533 12.926) 22.596 3.110 ( 0.000 0.946 24.707) 24.725 4.869 ( -0.000 0.759 -6.224) 6.270 5.080 ( -0.000 16.929 -6.984) 18.313 8.155 ( -0.000 -18.989 -8.275) 20.714 14.070 ( 0.000 -14.897 0.955) 14.928 14.256 ( -0.000 2.338 0.310) 2.359 14.747 ( 0.000 -21.211 1.106) 21.240 15.436 ( 0.000 -3.380 0.184) 3.385 15.757 ( 0.000 9.379 11.490) 14.832 16.439 ( -0.000 30.071 -14.411) 33.345======================= Grid point 2313 (620/670) =======================q-point: ( 0.42 0.37 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.207 ( 0.359 25.077 15.502) 29.484 2.606 ( 15.906 15.037 19.823) 29.531 3.249 ( 7.431 13.533 6.505) 16.753 4.942 ( 7.820 1.829 -5.665) 9.828 5.316 ( 9.028 20.897 -4.476) 23.200 7.872 ( -8.086 -15.450 -3.105) 17.712 13.882 ( -4.574 -15.215 0.848) 15.911 14.224 ( -4.371 -3.131 -0.623) 5.413 14.538 ( -5.588 -2.360 -0.279) 6.072 15.371 ( -1.746 -6.492 0.236) 6.727 15.861 ( -0.903 4.306 11.692) 12.493 16.797 ( 13.326 18.346 -14.703) 27.025======================= Grid point 2314 (621/670) =======================q-point: ( 0.47 0.37 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.639 ( 13.550 27.916 13.488) 33.835 2.864 ( 1.108 3.126 21.882) 22.132 3.819 ( 30.228 30.734 -8.590) 43.955 5.089 ( 8.198 4.444 -6.425) 11.324 5.746 ( 18.138 20.110 -0.900) 27.096 7.631 ( -5.530 -7.580 -0.093) 9.383 13.641 ( -8.810 -10.700 -0.515) 13.869 14.096 ( -0.815 -8.979 -1.753) 9.184 14.522 ( -3.550 11.039 0.672) 11.616 15.266 ( -1.595 -8.893 -0.358) 9.042 15.864 ( -4.772 -2.281 9.210) 10.621 17.045 ( 6.346 6.687 -10.542) 14.005======================= Grid point 2315 (622/670) =======================q-point: ( 0.53 0.37 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.027 ( 7.153 7.826 13.588) 17.235 3.273 ( 21.490 30.239 11.857) 38.947 4.645 ( 34.813 27.896 -8.780) 45.466 5.261 ( 8.184 7.982 -7.160) 13.489 6.261 ( 20.458 17.039 -0.518) 26.630 7.558 ( 1.319 0.093 1.508) 2.006 13.383 ( -10.912 -6.818 -2.441) 13.097 14.041 ( 4.930 -8.589 -0.516) 9.916 14.598 ( -2.456 13.239 1.518) 13.550 15.143 ( -2.729 -8.356 -1.034) 8.851 15.714 ( -9.634 -8.703 5.578) 14.130 17.080 ( -1.833 -0.434 -5.393) 5.713======================= Grid point 2316 (623/670) =======================q-point: ( 0.58 0.37 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.366 ( 16.258 12.956 8.255) 22.368 3.998 ( 23.771 29.916 10.426) 39.607 5.347 ( 21.978 9.680 -8.035) 25.324 5.551 ( 19.009 21.555 -6.613) 29.491 6.729 ( 17.899 12.963 -2.666) 22.261 7.705 ( 11.067 8.205 2.289) 13.966 13.127 ( -11.505 -4.596 -4.081) 13.044 14.085 ( 8.941 -7.399 1.546) 11.707 14.694 ( -1.022 10.377 2.065) 10.630 15.008 ( -5.116 -4.610 -1.088) 6.972 15.424 ( -13.360 -12.606 2.306) 18.512 16.959 ( -7.702 -4.604 -1.248) 9.060======================= Grid point 2317 (624/670) =======================q-point: ( 0.63 0.37 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.858 ( 22.132 15.147 5.186) 27.316 4.668 ( 18.082 24.894 8.561) 31.937 5.682 ( 16.496 11.173 -7.768) 21.384 6.093 ( 19.500 14.745 -4.567) 24.870 7.101 ( 15.085 9.051 -3.638) 17.965 8.107 ( 21.476 15.820 0.921) 26.690 12.877 ( -11.640 -3.513 -5.226) 13.233 14.196 ( 11.149 -7.116 3.080) 13.580 14.738 ( -2.088 -1.418 0.046) 2.524 14.885 ( -7.120 -0.843 3.681) 8.060 15.087 ( -12.851 -4.915 -1.032) 13.798 16.741 ( -11.139 -6.602 1.262) 13.010======================= Grid point 2318 (625/670) =======================q-point: ( 0.68 0.37 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.408 ( 23.181 14.587 3.135) 27.567 5.102 ( 7.570 15.814 4.108) 18.007 6.129 ( 21.124 18.069 -4.532) 28.165 6.430 ( 10.846 6.639 -3.681) 13.239 7.386 ( 11.777 5.021 -3.787) 13.351 8.703 ( 27.609 18.579 -0.097) 33.278 12.627 ( -12.038 -3.091 -5.915) 13.765 14.284 ( 6.138 -14.212 -0.160) 15.482 14.579 ( -4.855 -9.590 7.136) 12.902 14.741 ( -6.717 -0.499 -0.299) 6.742 15.017 ( -3.880 11.453 1.099) 12.142 16.480 ( -12.461 -6.546 2.168) 14.242======================= Grid point 2332 (626/670) =======================q-point: ( 0.42 0.42 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.585 ( -0.000 25.978 4.632) 26.388 2.638 ( 0.000 20.380 22.064) 30.036 3.372 ( -0.000 21.067 3.866) 21.419 4.879 ( -0.000 3.612 -3.127) 4.777 5.447 ( -0.000 23.494 -4.003) 23.833 7.770 ( 0.000 -15.306 -1.538) 15.383 13.743 ( 0.000 -18.004 1.664) 18.081 14.321 ( -0.000 4.170 -0.003) 4.170 14.462 ( -0.000 -8.730 -3.515) 9.411 15.351 ( 0.000 -5.571 0.602) 5.604 15.927 ( 0.000 -0.305 10.365) 10.370 16.834 ( -0.000 19.601 -12.629) 23.317======================= Grid point 2333 (627/670) =======================q-point: ( 0.47 0.42 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.828 ( 2.342 24.643 10.839) 27.023 2.955 ( 4.101 13.031 13.156) 18.966 3.763 ( 12.843 38.677 -5.886) 41.176 4.981 ( 7.212 5.128 -2.651) 9.238 5.738 ( 8.157 23.648 -0.960) 25.033 7.618 ( -2.570 -8.860 0.396) 9.233 13.577 ( -0.428 -16.217 1.785) 16.321 14.152 ( -11.830 -1.723 -3.475) 12.450 14.564 ( 8.362 4.065 -1.302) 9.389 15.240 ( -5.033 -7.138 0.708) 8.763 15.918 ( -2.152 -5.762 7.691) 9.848 16.999 ( 4.309 10.462 -9.239) 14.607======================= Grid point 2334 (628/670) =======================q-point: ( 0.53 0.42 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.064 ( 3.660 8.770 10.859) 14.430 3.358 ( 12.109 35.599 6.985) 38.246 4.427 ( 22.670 35.542 -7.288) 42.781 5.177 ( 9.215 9.088 -4.470) 13.693 6.152 ( 14.126 20.932 1.079) 25.276 7.547 ( 0.148 -0.896 1.517) 1.768 13.420 ( -2.959 -11.957 1.018) 12.360 13.966 ( -5.566 -2.601 -3.544) 7.093 14.738 ( 3.489 10.502 0.092) 11.067 15.083 ( -3.399 -9.238 0.104) 9.844 15.778 ( -7.111 -11.472 4.701) 14.293 17.077 ( 0.540 1.741 -5.456) 5.752======================= Grid point 2335 (629/670) =======================q-point: ( 0.58 0.42 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.310 ( 9.496 14.214 6.668) 18.349 4.012 ( 18.473 37.854 7.780) 42.833 5.066 ( 21.563 18.240 -6.862) 29.065 5.471 ( 13.211 19.628 -5.499) 24.291 6.588 ( 14.762 16.429 -0.262) 22.088 7.639 ( 6.854 7.616 2.063) 10.452 13.240 ( -7.665 -6.654 -1.278) 10.230 13.901 ( 3.086 -5.023 -1.016) 5.982 14.842 ( -4.551 6.952 2.011) 8.549 14.993 ( 2.442 -2.603 -1.130) 3.744 15.497 ( -11.107 -15.869 1.977) 19.471 17.016 ( -4.567 -3.933 -2.077) 6.375======================= Grid point 2336 (630/670) =======================q-point: ( 0.63 0.42 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.706 ( 16.439 17.284 4.810) 24.333 4.709 ( 16.031 35.365 8.839) 39.823 5.468 ( 17.661 10.398 -8.848) 22.323 5.935 ( 16.713 19.312 -3.513) 25.780 6.951 ( 12.784 11.294 -2.079) 17.185 7.952 ( 15.740 16.159 1.025) 22.581 13.027 ( -10.830 -3.203 -3.507) 11.825 13.950 ( 8.992 -7.095 1.591) 11.564 14.765 ( -4.089 -4.369 0.019) 5.983 15.017 ( -7.824 -2.207 4.913) 9.498 15.186 ( -5.259 -4.531 -2.709) 7.452 16.847 ( -8.466 -6.762 0.349) 10.841======================= Grid point 2337 (631/670) =======================q-point: ( 0.68 0.42 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.207 ( 20.195 17.327 3.930) 26.899 5.206 ( 5.020 23.309 5.996) 24.586 5.933 ( 23.133 21.074 -7.077) 32.083 6.304 ( 11.523 9.400 -2.464) 15.073 7.229 ( 11.115 6.110 -2.642) 12.956 8.465 ( 22.659 20.202 -0.411) 30.359 12.794 ( -12.193 -1.521 -4.789) 13.188 14.036 ( 8.478 -10.489 1.228) 13.543 14.583 ( -7.750 -14.789 3.384) 17.036 14.803 ( -4.465 -3.974 1.723) 6.221 15.210 ( -3.199 11.567 -0.195) 12.003 16.619 ( -10.566 -6.901 1.576) 12.719======================= Grid point 2352 (632/670) =======================q-point: ( 0.47 0.47 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.001 ( 0.000 8.354 13.426) 15.813 3.161 ( -0.000 32.322 -2.709) 32.435 4.068 ( -0.000 46.271 -4.407) 46.481 4.965 ( -0.000 5.917 1.202) 6.037 5.905 ( -0.000 24.216 0.570) 24.223 7.568 ( 0.000 -5.257 1.436) 5.449 13.420 ( 0.000 -16.489 2.369) 16.658 14.329 ( -0.000 -1.910 -5.974) 6.272 14.417 ( -0.000 5.828 -0.329) 5.838 15.230 ( 0.000 -7.339 0.938) 7.398 15.882 ( 0.000 -9.550 5.432) 10.987 17.031 ( -0.000 7.632 -6.805) 10.225======================= Grid point 2353 (633/670) =======================q-point: ( 0.53 0.47 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.147 ( 1.899 11.783 6.415) 13.550 3.544 ( 8.114 35.616 -2.983) 36.650 4.556 ( 5.791 42.966 -3.731) 43.515 5.111 ( 7.995 9.640 0.798) 12.549 6.199 ( 6.555 22.703 2.732) 23.788 7.550 ( 0.197 1.228 2.106) 2.446 13.289 ( 1.637 -14.937 2.817) 15.288 14.126 ( -13.012 2.083 -4.976) 14.086 14.649 ( 12.766 5.306 -1.690) 13.928 15.106 ( -5.622 -7.111 1.144) 9.137 15.757 ( -3.610 -13.921 3.167) 14.726 17.064 ( 0.487 0.992 -4.603) 4.734======================= Grid point 2354 (634/670) =======================q-point: ( 0.58 0.47 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.355 ( 5.146 16.686 2.417) 17.628 4.113 ( 16.670 38.863 -0.828) 42.295 4.996 ( 7.877 22.949 -0.812) 24.277 5.439 ( 12.673 22.166 -2.840) 25.690 6.558 ( 9.712 19.228 2.453) 21.681 7.637 ( 3.967 9.234 2.289) 10.307 13.197 ( 1.474 -12.110 2.589) 12.471 13.938 ( -9.452 2.188 -4.226) 10.582 14.878 ( 6.845 -2.193 -1.336) 7.311 14.967 ( -2.456 3.341 1.241) 4.328 15.505 ( -8.651 -17.952 1.267) 19.968 17.021 ( -2.034 -4.806 -2.545) 5.806======================= Grid point 2355 (635/670) =======================q-point: ( 0.63 0.47 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.673 ( 10.548 20.010 1.435) 22.666 4.825 ( 19.789 40.977 2.771) 45.589 5.289 ( 10.019 10.823 -3.019) 15.054 5.879 ( 12.646 21.699 -2.073) 25.201 6.887 ( 8.944 14.034 0.344) 16.646 7.899 ( 10.747 17.892 1.393) 20.918 13.098 ( -2.931 -7.817 0.538) 8.365 13.837 ( -1.869 -0.719 -1.518) 2.513 14.779 ( -3.896 -6.999 0.218) 8.014 15.123 ( -6.349 -4.551 4.408) 8.969 15.167 ( 0.503 -4.464 -4.074) 6.064 16.890 ( -5.115 -8.054 -0.705) 9.567======================= Grid point 2356 (636/670) =======================q-point: ( 0.68 0.47 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.099 ( 15.449 20.522 1.764) 25.747 5.412 ( 1.942 24.719 7.347) 25.860 5.699 ( 27.459 25.122 -7.952) 38.057 6.225 ( 9.205 12.045 -0.860) 15.184 7.133 ( 7.578 8.331 -0.881) 11.296 8.338 ( 16.734 22.423 -0.214) 27.980 12.942 ( -8.325 -3.742 -2.122) 9.371 13.842 ( 4.638 -4.733 0.940) 6.693 14.581 ( -9.432 -16.785 0.937) 19.276 14.834 ( -4.851 -6.866 0.925) 8.458 15.322 ( 2.400 9.992 -0.179) 10.278 16.701 ( -7.283 -8.338 0.572) 11.086======================= Grid point 2372 (637/670) =======================q-point: ( 0.53 0.53 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.279 ( -0.000 16.157 1.456) 16.222 3.793 ( -0.000 35.961 -8.344) 36.916 4.961 ( -0.000 45.887 -3.418) 46.014 5.128 ( 0.000 8.407 5.932) 10.289 6.380 ( -0.000 22.558 4.532) 23.009 7.589 ( 0.000 6.095 2.558) 6.610 13.137 ( 0.000 -14.626 3.566) 15.054 14.295 ( -0.000 2.680 -6.585) 7.109 14.540 ( -0.000 7.037 -0.629) 7.065 15.081 ( 0.000 -8.641 1.076) 8.708 15.652 ( 0.000 -16.040 1.559) 16.116 17.040 ( -0.000 -2.818 -3.681) 4.636======================= Grid point 2373 (638/670) =======================q-point: ( 0.58 0.53 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.474 ( 2.251 20.434 -1.790) 20.636 4.210 ( 11.495 35.972 -8.975) 38.816 5.194 ( -2.710 18.206 6.378) 19.480 5.487 ( 9.964 31.426 -1.295) 32.993 6.650 ( 4.203 20.747 4.698) 21.683 7.703 ( 2.026 13.104 2.566) 13.506 13.037 ( 2.701 -13.411 4.128) 14.289 14.161 ( -12.756 5.000 -5.302) 14.691 14.732 ( 9.736 3.693 -1.458) 10.514 14.987 ( -0.633 -5.364 0.827) 5.465 15.445 ( -4.935 -18.640 0.260) 19.284 16.975 ( -0.654 -7.258 -2.768) 7.795======================= Grid point 2374 (639/670) =======================q-point: ( 0.63 0.53 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.745 ( 5.688 23.162 -2.569) 23.988 4.802 ( 21.601 32.645 -8.630) 40.084 5.378 ( 0.530 18.785 8.246) 20.522 5.918 ( 8.497 24.085 -0.266) 25.541 6.926 ( 4.700 16.463 2.696) 17.332 7.948 ( 6.603 21.283 1.756) 22.353 12.987 ( 3.798 -11.699 3.928) 12.911 13.979 ( -11.896 4.512 -3.830) 13.287 14.762 ( -1.891 -6.368 0.538) 6.665 15.068 ( 4.429 -3.747 -4.788) 7.522 15.157 ( -3.932 -9.580 2.823) 10.734 16.857 ( -2.181 -10.197 -1.661) 10.559======================= Grid point 2392 (640/670) =======================q-point: ( 0.58 0.58 0.32)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.663 ( -0.000 24.036 -4.113) 24.385 4.406 ( -0.000 32.606 -11.182) 34.470 5.392 ( 0.000 14.121 9.219) 16.864 5.738 ( -0.000 33.953 -0.301) 33.954 6.839 ( 0.000 20.729 5.454) 21.434 7.848 ( -0.000 19.095 2.505) 19.259 12.899 ( 0.000 -12.970 4.935) 13.877 14.333 ( -0.000 5.581 -6.181) 8.328 14.675 ( -0.000 6.883 -0.757) 6.925 14.914 ( 0.000 -8.818 0.866) 8.861 15.300 ( 0.000 -19.779 -0.913) 19.800 16.885 ( -0.000 -10.273 -2.761) 10.637======================= Grid point 2393 (641/670) =======================q-point: (-0.37 -0.42 -0.68)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.909 ( 2.002 26.082 -4.561) 26.553 4.764 ( 11.884 26.356 -9.825) 30.535 5.595 ( 1.187 20.928 9.005) 22.814 6.060 ( 3.164 24.033 1.625) 24.294 7.060 ( 1.042 17.776 4.250) 18.307 8.102 ( 3.210 26.168 1.759) 26.422 12.821 ( 3.145 -12.235 5.307) 13.702 14.236 ( -12.831 5.749 -4.449) 14.747 14.734 ( -0.656 -3.822 0.764) 3.952 14.925 ( 6.696 -2.001 -3.989) 8.046 15.079 ( -0.731 -15.814 0.418) 15.836 16.760 ( -0.464 -12.476 -2.339) 12.702======================= Grid point 2412 (642/670) =======================q-point: (-0.37 -0.37 -0.68)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.142 ( -0.000 27.680 -4.094) 27.981 4.862 ( -0.000 20.748 -7.880) 22.194 5.821 ( 0.000 23.701 6.892) 24.683 6.259 ( -0.000 18.904 3.261) 19.184 7.240 ( 0.000 16.349 4.422) 16.937 8.362 ( -0.000 31.310 1.154) 31.331 12.694 ( 0.000 -12.119 5.933) 13.494 14.419 ( -0.000 6.969 -4.946) 8.546 14.697 ( 0.000 -7.876 1.444) 8.008 14.848 ( -0.000 5.360 -1.767) 5.644 14.891 ( 0.000 -20.329 -2.782) 20.519 16.624 ( 0.000 -14.081 -2.518) 14.304======================= Grid point 2674 (643/670) =======================q-point: ( 0.37 0.37 0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 670Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.892 ( 0.000 -0.000 15.755) 15.755 1.892 ( 0.000 -0.000 15.755) 15.755 3.221 ( 0.000 -0.000 27.383) 27.383 4.858 ( -0.000 0.000 -6.610) 6.610 4.858 ( -0.000 0.000 -6.610) 6.610 8.324 ( -0.000 0.000 -13.381) 13.381 14.231 ( 0.000 -0.000 0.432) 0.432 14.231 ( 0.000 -0.000 0.432) 0.432 15.229 ( 0.000 -0.000 5.240) 5.240 15.476 ( -0.000 0.000 -0.115) 0.115 15.476 ( -0.000 -0.000 -0.115) 0.115 16.032 ( -0.000 0.000 -2.776) 2.776======================= Grid point 2675 (644/670) =======================q-point: ( 0.42 0.37 0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.961 ( 6.702 3.869 16.915) 18.601 2.324 ( 25.806 14.899 11.293) 31.866 3.248 ( -4.281 -2.472 18.694) 19.337 4.902 ( 4.178 2.412 -6.833) 8.364 4.980 ( 13.810 7.973 -4.205) 16.491 8.104 ( -13.497 -7.792 -7.822) 17.437 14.102 ( -10.546 -6.089 -0.120) 12.178 14.246 ( 1.468 0.847 0.594) 1.796 14.726 ( -22.565 -13.028 1.924) 26.126 15.459 ( -1.919 -1.108 -0.500) 2.272 15.784 ( 7.190 4.151 11.570) 14.240 16.382 ( 26.233 15.145 -13.230) 33.054======================= Grid point 2676 (645/670) =======================q-point: ( 0.47 0.37 0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.303 ( 18.273 10.550 15.928) 26.437 2.899 ( 9.337 5.391 23.650) 25.992 3.340 ( 21.576 12.457 -7.713) 26.080 4.995 ( 6.109 3.527 -7.017) 9.950 5.400 ( 23.001 13.280 -1.376) 26.595 7.781 ( -11.999 -6.928 -2.265) 14.040 13.818 ( -13.500 -7.794 -1.425) 15.653 14.301 ( 3.206 1.851 0.781) 3.783 14.355 ( -11.298 -6.523 1.097) 13.092 15.387 ( -4.236 -2.445 -0.879) 4.969 15.903 ( 0.078 0.045 10.846) 10.846 16.837 ( 16.459 9.502 -12.281) 22.628======================= Grid point 2677 (646/670) =======================q-point: ( 0.53 0.37 0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.867 ( 26.707 15.419 14.021) 33.876 2.997 ( 1.800 1.039 15.402) 15.541 4.101 ( 40.631 23.458 -8.418) 47.665 5.123 ( 7.470 4.313 -7.336) 11.323 5.945 ( 24.713 14.268 -0.982) 28.553 7.590 ( -4.235 -2.445 -0.001) 4.890 13.511 ( -12.890 -7.442 -2.954) 15.175 14.199 ( -3.490 -2.015 1.645) 4.353 14.395 ( 4.788 2.764 0.990) 5.616 15.266 ( -6.155 -3.554 -1.174) 7.204 15.853 ( -7.233 -4.176 6.900) 10.833 17.035 ( 4.570 2.639 -6.831) 8.632======================= Grid point 2678 (647/670) =======================q-point: ( 0.58 0.37 0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.199 ( 12.668 7.314 8.963) 17.156 3.568 ( 30.776 17.769 12.312) 37.610 4.986 ( 39.042 22.541 -5.841) 45.458 5.280 ( 8.929 5.155 -7.907) 12.993 6.465 ( 21.665 12.508 -3.077) 25.205 7.604 ( 5.659 3.267 0.987) 6.608 13.222 ( -11.739 -6.778 -4.256) 14.208 14.189 ( 1.498 0.865 3.196) 3.634 14.520 ( 5.968 3.446 1.205) 6.996 15.107 ( -7.533 -4.349 -1.331) 8.799 15.633 ( -13.540 -7.817 3.243) 15.967 17.020 ( -3.981 -2.298 -1.873) 4.963======================= Grid point 2679 (648/670) =======================q-point: ( 0.63 0.37 0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.611 ( 20.952 12.097 5.828) 24.886 4.291 ( 28.680 16.558 10.964) 34.884 5.485 ( 12.445 7.185 -8.492) 16.692 5.756 ( 29.649 17.118 -3.741) 34.439 6.893 ( 17.849 10.305 -4.703) 21.139 7.860 ( 16.994 9.811 0.247) 19.624 12.952 ( -10.841 -6.259 -5.263) 13.579 14.276 ( 4.697 2.712 4.811) 7.249 14.664 ( 6.150 3.551 1.277) 7.215 14.925 ( -7.962 -4.597 -1.216) 9.274 15.288 ( -17.425 -10.060 1.531) 20.179 16.864 ( -9.399 -5.427 1.242) 10.924======================= Grid point 2694 (649/670) =======================q-point: ( 0.42 0.42 0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.195 ( 0.000 15.919 7.165) 17.457 2.195 ( 0.000 23.824 15.696) 28.530 3.325 ( 0.000 -4.608 16.462) 17.095 4.816 ( -0.000 1.492 -3.907) 4.182 5.015 ( -0.000 17.458 -5.453) 18.290 8.074 ( -0.000 -14.945 -6.959) 16.486 14.080 ( 0.000 -14.371 0.866) 14.397 14.258 ( -0.000 2.237 0.104) 2.239 14.756 ( 0.000 -23.272 0.567) 23.279 15.439 ( 0.000 -3.195 0.346) 3.213 15.874 ( 0.000 11.241 11.205) 15.872 16.298 ( -0.000 27.238 -12.990) 30.177======================= Grid point 2695 (650/670) =======================q-point: ( 0.47 0.42 0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.347 ( 2.364 22.270 10.979) 24.942 2.779 ( 21.815 21.603 13.236) 33.433 3.293 ( -2.113 2.835 2.304) 4.220 4.892 ( 6.365 2.806 -3.865) 7.958 5.279 ( 10.605 21.609 -2.545) 24.206 7.841 ( -7.028 -13.091 -2.712) 15.104 13.889 ( -5.550 -14.416 0.566) 15.458 14.219 ( -4.437 -4.583 -0.384) 6.390 14.536 ( -4.610 -3.465 -0.085) 5.768 15.372 ( -2.209 -6.121 0.096) 6.508 15.974 ( -1.071 3.054 9.682) 10.208 16.660 ( 13.721 19.680 -11.401) 26.562======================= Grid point 2696 (651/670) =======================q-point: ( 0.53 0.42 0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.767 ( 14.743 25.343 10.862) 31.267 3.058 ( -1.252 -0.697 14.884) 14.953 3.726 ( 30.396 31.816 -8.566) 44.828 5.028 ( 6.875 5.180 -5.280) 10.098 5.740 ( 18.500 20.688 -0.438) 27.757 7.628 ( -5.017 -6.544 -0.410) 8.256 13.632 ( -10.426 -9.787 -1.235) 14.353 14.088 ( 0.332 -10.598 0.065) 10.603 14.531 ( -2.891 10.767 0.891) 11.184 15.261 ( -2.165 -8.590 -0.580) 8.878 15.946 ( -5.445 -3.858 6.282) 9.165 16.953 ( 7.712 8.448 -6.867) 13.342======================= Grid point 2697 (652/670) =======================q-point: ( 0.58 0.42 0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.139 ( 6.096 6.109 7.609) 11.505 3.391 ( 22.034 28.376 10.679) 37.480 4.569 ( 35.173 27.887 -5.385) 45.209 5.191 ( 7.368 8.479 -6.238) 12.849 6.250 ( 19.310 17.367 -1.680) 26.025 7.567 ( 1.698 0.774 0.374) 1.903 13.353 ( -12.154 -6.298 -3.102) 14.035 14.049 ( 6.200 -9.562 1.963) 11.563 14.614 ( -2.190 13.477 1.625) 13.750 15.131 ( -3.011 -8.336 -1.190) 8.943 15.759 ( -10.463 -9.826 3.012) 14.666 17.040 ( -0.339 0.649 -2.350) 2.462======================= Grid point 2698 (653/670) =======================q-point: ( 0.63 0.42 0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.437 ( 15.662 12.175 5.319) 20.538 4.107 ( 24.029 28.748 10.478) 38.905 5.266 ( 20.524 8.449 -7.425) 23.404 5.498 ( 20.356 22.804 -3.310) 30.747 6.695 ( 16.797 13.437 -3.929) 21.866 7.717 ( 10.909 8.430 -0.096) 13.787 13.082 ( -12.329 -4.376 -4.440) 13.816 14.113 ( 9.973 -8.070 3.815) 13.384 14.714 ( -1.228 10.527 1.839) 10.757 14.997 ( -4.817 -3.977 -1.051) 6.334 15.441 ( -13.877 -13.457 1.074) 19.360 16.957 ( -6.581 -4.196 0.788) 7.845======================= Grid point 2714 (654/670) =======================q-point: ( 0.47 0.47 0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.602 ( -0.000 23.899 -1.501) 23.946 2.859 ( 0.000 23.079 20.252) 30.705 3.373 ( -0.000 12.724 -3.903) 13.309 4.863 ( -0.000 4.676 0.108) 4.678 5.414 ( -0.000 25.026 -2.325) 25.134 7.756 ( 0.000 -13.244 -1.056) 13.286 13.762 ( 0.000 -17.682 1.880) 17.781 14.319 ( -0.000 4.076 -0.275) 4.085 14.427 ( -0.000 -10.637 -3.166) 11.099 15.358 ( 0.000 -5.427 0.824) 5.489 16.015 ( 0.000 -1.799 6.187) 6.444 16.726 ( -0.000 21.422 -7.634) 22.741======================= Grid point 2715 (655/670) =======================q-point: ( 0.53 0.47 0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.886 ( 5.925 27.884 0.892) 28.521 3.089 ( 2.922 1.340 11.177) 11.630 3.697 ( 11.695 40.683 -5.890) 42.738 4.967 ( 5.162 6.220 0.130) 8.084 5.734 ( 8.762 25.093 -0.001) 26.579 7.621 ( -2.514 -7.699 0.255) 8.104 13.597 ( -0.945 -15.695 1.917) 15.840 14.120 ( -11.768 -3.074 -2.752) 12.470 14.552 ( 9.303 3.687 -1.134) 10.071 15.247 ( -5.360 -6.853 0.733) 8.731 15.978 ( -2.182 -7.092 3.628) 8.260 16.925 ( 4.541 11.938 -4.563) 13.563======================= Grid point 2716 (656/670) =======================q-point: ( 0.58 0.47 0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.143 ( 3.300 6.430 4.006) 8.263 3.409 ( 15.734 32.577 2.610) 36.272 4.372 ( 21.875 36.585 -2.888) 42.724 5.144 ( 7.103 9.815 -1.700) 12.234 6.161 ( 13.400 21.905 0.435) 25.682 7.557 ( 0.150 -0.116 0.507) 0.541 13.428 ( -4.784 -10.789 0.395) 11.808 13.940 ( -3.838 -4.046 -1.249) 5.715 14.738 ( 4.848 9.900 0.036) 11.024 15.084 ( -4.389 -8.750 0.034) 9.789 15.811 ( -7.375 -12.471 1.683) 14.586 17.037 ( 1.306 2.535 -1.957) 3.459======================= Grid point 2717 (657/670) =======================q-point: ( 0.63 0.47 0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.356 ( 10.179 12.940 2.193) 16.609 4.081 ( 21.249 36.015 5.140) 42.131 5.011 ( 19.497 18.264 -3.535) 26.948 5.433 ( 12.912 20.532 -1.647) 24.311 6.579 ( 13.210 17.196 -1.457) 21.734 7.649 ( 6.632 8.091 -0.093) 10.462 13.222 ( -9.663 -5.525 -2.185) 11.344 13.905 ( 5.074 -6.285 1.879) 8.293 14.862 ( -4.701 6.290 1.737) 8.043 14.980 ( 3.103 -1.743 -1.252) 3.773 15.509 ( -11.468 -16.617 0.378) 20.193 17.006 ( -3.635 -3.762 0.240) 5.237======================= Grid point 2734 (658/670) =======================q-point: ( 0.53 0.53 0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.105 ( -0.000 31.064 -7.873) 32.046 3.106 ( 0.000 2.793 5.887) 6.516 4.029 ( -0.000 47.213 -2.338) 47.270 4.995 ( 0.000 7.149 4.310) 8.348 5.917 ( -0.000 26.120 1.434) 26.160 7.580 ( 0.000 -4.399 0.921) 4.495 13.447 ( 0.000 -16.110 2.906) 16.369 14.272 ( -0.000 -2.860 -4.976) 5.740 14.412 ( -0.000 5.758 -0.642) 5.794 15.241 ( 0.000 -7.287 1.159) 7.379 15.918 ( 0.000 -10.266 1.252) 10.342 16.983 ( -0.000 8.173 -2.336) 8.500======================= Grid point 2735 (659/670) =======================q-point: ( 0.58 0.53 0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.180 ( 1.793 8.877 -0.251) 9.060 3.488 ( 11.128 33.926 -7.619) 36.508 4.538 ( 6.136 44.136 0.552) 44.564 5.137 ( 5.422 10.036 3.994) 12.086 6.228 ( 6.141 24.181 2.557) 25.079 7.565 ( 0.079 1.894 0.844) 2.075 13.320 ( 1.307 -14.392 3.194) 14.800 14.080 ( -12.436 1.321 -3.798) 13.070 14.631 ( 12.798 5.119 -1.663) 13.884 15.119 ( -5.615 -6.970 1.228) 9.034 15.774 ( -3.602 -14.444 0.086) 14.886 17.034 ( 0.726 1.039 -1.214) 1.755======================= Grid point 2754 (660/670) =======================q-point: (-0.42 -0.42 -0.63)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.267 ( -0.000 14.222 -3.917) 14.751 3.691 ( -0.000 35.279 -11.135) 36.994 4.948 ( -0.000 45.579 1.207) 45.594 5.199 ( 0.000 9.676 7.558) 12.278 6.427 ( -0.000 23.859 4.215) 24.229 7.606 ( -0.000 6.667 0.739) 6.707 13.178 ( 0.000 -14.124 4.165) 14.725 14.233 ( -0.000 2.235 -5.210) 5.669 14.532 ( -0.000 6.998 -0.988) 7.067 15.093 ( 0.000 -8.701 1.291) 8.796 15.655 ( 0.000 -16.327 -0.904) 16.352 17.015 ( -0.000 -3.264 -0.941) 3.397======================= Grid point 3057 (661/670) =======================q-point: ( 0.42 0.42 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 670Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.027 ( 0.000 -0.000 10.075) 10.075 2.027 ( 0.000 -0.000 10.075) 10.075 3.457 ( 0.000 -0.000 17.619) 17.619 4.799 ( -0.000 0.000 -4.565) 4.565 4.799 ( -0.000 0.000 -4.565) 4.565 8.205 ( -0.000 0.000 -9.224) 9.224 14.235 ( 0.000 -0.000 0.280) 0.280 14.235 ( 0.000 -0.000 0.280) 0.280 15.275 ( 0.000 -0.000 3.600) 3.600 15.475 ( 0.000 0.000 -0.075) 0.075 15.475 ( -0.000 -0.000 -0.075) 0.075 16.007 ( -0.000 0.000 -2.022) 2.022======================= Grid point 3058 (662/670) =======================q-point: ( 0.47 0.42 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.112 ( 7.719 4.456 12.061) 14.997 2.404 ( 25.907 14.957 3.924) 30.171 3.403 ( -8.613 -4.973 10.985) 14.818 4.839 ( 3.752 2.166 -5.109) 6.699 4.950 ( 14.849 8.573 -1.567) 17.218 8.035 ( -11.087 -6.401 -5.081) 13.773 14.100 ( -10.980 -6.340 -0.342) 12.684 14.252 ( 1.574 0.909 0.483) 1.880 14.743 ( -22.702 -13.107 1.394) 26.251 15.454 ( -2.112 -1.219 -0.552) 2.501 15.903 ( 8.421 4.862 11.410) 14.992 16.251 ( 24.411 14.094 -12.038) 30.650======================= Grid point 3059 (663/670) =======================q-point: ( 0.53 0.42 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.451 ( 18.352 10.596 12.401) 24.553 3.109 ( 23.853 13.771 14.435) 31.096 3.240 ( 4.489 2.592 -9.228) 10.584 4.928 ( 5.707 3.295 -5.660) 8.687 5.393 ( 23.227 13.410 -0.093) 26.821 7.760 ( -10.782 -6.225 -1.554) 12.547 13.801 ( -14.175 -8.184 -1.777) 16.464 14.309 ( 3.313 1.913 0.687) 3.887 14.371 ( -11.209 -6.472 2.070) 13.108 15.378 ( -4.386 -2.532 -0.971) 5.156 16.000 ( -1.248 -0.721 7.407) 7.545 16.731 ( 18.122 10.463 -7.813) 22.336======================= Grid point 3060 (664/670) =======================q-point: ( 0.58 0.42 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.002 ( 26.428 15.258 11.736) 32.695 3.109 ( 0.127 0.073 5.528) 5.530 4.034 ( 41.501 23.961 -3.716) 48.066 5.051 ( 7.016 4.051 -6.397) 10.323 5.932 ( 23.933 13.818 -1.429) 27.672 7.587 ( -3.718 -2.147 -0.492) 4.322 13.479 ( -13.468 -7.776 -3.142) 15.866 14.227 ( -3.117 -1.800 3.572) 5.071 14.404 ( 4.895 2.826 0.870) 5.719 15.253 ( -6.240 -3.602 -1.240) 7.311 15.907 ( -8.479 -4.895 3.253) 10.317 16.984 ( 6.321 3.649 -2.645) 7.764======================= Grid point 3077 (665/670) =======================q-point: ( 0.47 0.47 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.235 ( -0.000 13.280 0.601) 13.293 2.331 ( 0.000 25.987 10.374) 27.981 3.448 ( 0.000 -8.973 7.094) 11.438 4.791 ( -0.000 2.473 -0.814) 2.604 4.969 ( -0.000 17.893 -3.328) 18.199 8.018 ( -0.000 -12.469 -3.595) 12.977 14.088 ( 0.000 -13.808 0.728) 13.827 14.258 ( -0.000 2.106 -0.114) 2.109 14.759 ( 0.000 -24.786 -0.084) 24.786 15.443 ( 0.000 -2.958 0.470) 2.995 15.987 ( 0.000 10.096 10.087) 14.272 16.171 ( -0.000 27.782 -11.017) 29.887======================= Grid point 3078 (666/670) =======================q-point: ( 0.53 0.47 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.426 ( 6.823 18.787 4.037) 20.392 2.874 ( 22.581 30.914 4.791) 38.581 3.304 ( -6.763 -7.443 0.250) 10.060 4.864 ( 4.094 4.119 -1.395) 5.973 5.262 ( 11.961 21.783 -0.784) 24.863 7.820 ( -6.554 -11.667 -1.063) 13.424 13.893 ( -6.835 -13.517 0.199) 15.148 14.216 ( -3.919 -5.674 -0.130) 6.897 14.536 ( -3.432 -4.415 -0.015) 5.592 15.373 ( -2.834 -5.709 0.026) 6.373 16.050 ( -0.771 0.814 4.283) 4.428 16.572 ( 13.665 21.818 -4.842) 26.195======================= Grid point 3079 (667/670) =======================q-point: ( 0.58 0.47 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.857 ( 17.472 22.520 6.065) 29.141 3.148 ( -3.396 -2.147 1.350) 4.238 3.667 ( 31.745 33.006 -1.444) 45.817 4.984 ( 4.986 6.246 -3.044) 8.552 5.736 ( 18.140 20.720 -0.321) 27.541 7.624 ( -4.934 -5.971 -0.364) 7.755 13.616 ( -11.955 -9.082 -1.740) 15.114 14.097 ( 1.790 -11.562 1.615) 11.811 14.541 ( -2.196 10.387 1.022) 10.665 15.255 ( -2.734 -8.302 -0.699) 8.769 15.988 ( -5.664 -5.136 1.624) 7.817 16.909 ( 8.419 9.729 -1.427) 12.944======================= Grid point 3097 (668/670) =======================q-point: ( 0.53 0.53 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.555 ( -0.000 22.199 -7.447) 23.415 3.052 ( 0.000 30.351 16.557) 34.573 3.294 ( -0.000 2.428 -10.863) 11.131 4.881 ( 0.000 5.752 3.262) 6.613 5.397 ( -0.000 26.232 -0.972) 26.250 7.751 ( 0.000 -12.204 0.200) 12.206 13.782 ( 0.000 -17.109 1.923) 17.216 14.315 ( -0.000 3.956 -0.512) 3.989 14.396 ( 0.000 -12.090 -2.723) 12.392 15.368 ( 0.000 -5.250 0.953) 5.336 16.045 ( -0.000 -2.560 -0.850) 2.697 16.686 ( -0.000 22.215 0.296) 22.216======================= Grid point 3440 (669/670) =======================q-point: ( 0.47 0.47 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 670Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.098 ( 0.000 -0.000 3.480) 3.480 2.098 ( 0.000 -0.000 3.480) 3.480 3.581 ( 0.000 -0.000 6.108) 6.108 4.766 ( -0.000 0.000 -1.639) 1.639 4.766 ( -0.000 0.000 -1.639) 1.639 8.139 ( -0.000 0.000 -3.311) 3.311 14.237 ( 0.000 -0.000 0.097) 0.097 14.237 ( 0.000 -0.000 0.097) 0.097 15.301 ( 0.000 -0.000 1.294) 1.294 15.474 ( -0.000 0.000 -0.026) 0.026 15.474 ( 0.000 0.000 -0.026) 0.026 15.992 ( -0.000 0.000 -0.751) 0.751======================= Grid point 3441 (670/670) =======================q-point: ( 0.53 0.47 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.207 ( 9.391 5.422 6.061) 12.423 2.405 ( 24.546 14.171 -3.617) 28.573 3.472 ( -9.637 -5.564 2.288) 11.361 4.799 ( 3.031 1.750 -2.423) 4.257 4.947 ( 15.471 8.932 0.969) 17.891 8.004 ( -10.161 -5.867 -0.861) 11.765 14.095 ( -11.461 -6.617 -0.550) 13.246 14.256 ( 1.697 0.980 0.317) 1.985 14.754 ( -22.319 -12.886 0.760) 25.783 15.448 ( -2.335 -1.348 -0.542) 2.750 16.014 ( 5.251 3.032 8.490) 10.433 16.139 ( 27.382 15.809 -8.310) 32.692=================== 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 3/82308 10.0 3051.180 3051.180 5509.122 -0.000 -0.000 0.000 3/82308 20.0 1703.046 1703.046 1645.366 0.000 -0.000 0.000 3/82308 30.0 1117.379 1117.379 711.677 0.000 -0.000 0.000 3/82308 40.0 707.425 707.425 323.905 0.000 -0.000 0.000 3/82308 50.0 502.283 502.283 169.618 0.000 -0.000 0.000 3/82308 60.0 392.463 392.463 103.800 0.000 -0.000 0.000 3/82308 70.0 322.501 322.501 71.412 0.000 -0.000 0.000 3/82308 80.0 272.164 272.164 53.238 0.000 -0.000 0.000 3/82308 90.0 233.641 233.641 41.940 0.000 -0.000 0.000 3/82308 100.0 203.270 203.270 34.359 0.000 -0.000 0.000 3/82308 110.0 178.917 178.917 28.977 0.000 -0.000 0.000 3/82308 120.0 159.143 159.143 24.987 0.000 -0.000 0.000 3/82308 130.0 142.907 142.907 21.929 0.000 -0.000 0.000 3/82308 140.0 129.432 129.432 19.522 0.000 -0.000 0.000 3/82308 150.0 118.134 118.134 17.585 0.000 -0.000 0.000 3/82308 160.0 108.566 108.566 15.997 0.000 -0.000 0.000 3/82308 170.0 100.386 100.386 14.675 0.000 -0.000 0.000 3/82308 180.0 93.330 93.330 13.558 0.000 -0.000 0.000 3/82308 190.0 87.193 87.193 12.604 0.000 -0.000 0.000 3/82308 200.0 81.814 81.814 11.780 0.000 -0.000 0.000 3/82308 210.0 77.066 77.066 11.061 0.000 -0.000 0.000 3/82308 220.0 72.845 72.845 10.428 0.000 -0.000 0.000 3/82308 230.0 69.071 69.071 9.868 0.000 -0.000 0.000 3/82308 240.0 65.678 65.678 9.367 0.000 -0.000 0.000 3/82308 250.0 62.611 62.611 8.918 0.000 -0.000 0.000 3/82308 260.0 59.825 59.825 8.511 0.000 -0.000 0.000 3/82308 270.0 57.283 57.283 8.142 0.000 -0.000 0.000 3/82308 280.0 54.955 54.955 7.806 0.000 -0.000 0.000 3/82308 290.0 52.815 52.815 7.497 0.000 -0.000 0.000 3/82308 300.0 50.840 50.840 7.214 0.000 -0.000 0.000 3/82308 310.0 49.012 49.012 6.952 0.000 -0.000 0.000 3/82308 320.0 47.315 47.315 6.709 0.000 -0.000 0.000 3/82308 330.0 45.736 45.736 6.483 0.000 -0.000 0.000 3/82308 340.0 44.261 44.261 6.273 0.000 -0.000 0.000 3/82308 350.0 42.882 42.882 6.077 0.000 -0.000 0.000 3/82308 360.0 41.588 41.588 5.893 0.000 -0.000 0.000 3/82308 370.0 40.372 40.372 5.720 0.000 -0.000 0.000 3/82308 380.0 39.228 39.228 5.557 0.000 -0.000 0.000 3/82308 390.0 38.148 38.148 5.404 0.000 -0.000 0.000 3/82308 400.0 37.128 37.128 5.260 0.000 -0.000 0.000 3/82308 410.0 36.162 36.162 5.123 0.000 -0.000 0.000 3/82308 420.0 35.246 35.246 4.993 0.000 -0.000 0.000 3/82308 430.0 34.377 34.377 4.870 0.000 -0.000 0.000 3/82308 440.0 33.551 33.551 4.753 0.000 -0.000 0.000 3/82308 450.0 32.764 32.764 4.642 0.000 -0.000 0.000 3/82308 460.0 32.014 32.014 4.536 0.000 -0.000 0.000 3/82308 470.0 31.299 31.299 4.434 0.000 -0.000 0.000 3/82308 480.0 30.615 30.615 4.338 0.000 -0.000 0.000 3/82308 490.0 29.961 29.961 4.245 0.000 -0.000 0.000 3/82308 500.0 29.336 29.336 4.157 0.000 -0.000 0.000 3/82308 510.0 28.736 28.736 4.072 0.000 -0.000 0.000 3/82308 520.0 28.161 28.161 3.991 0.000 -0.000 0.000 3/82308 530.0 27.608 27.608 3.913 0.000 -0.000 0.000 3/82308 540.0 27.078 27.078 3.838 0.000 -0.000 0.000 3/82308 550.0 26.567 26.567 3.765 0.000 -0.000 0.000 3/82308 560.0 26.076 26.076 3.696 0.000 -0.000 0.000 3/82308 570.0 25.603 25.603 3.629 0.000 -0.000 0.000 3/82308 580.0 25.147 25.147 3.565 0.000 -0.000 0.000 3/82308 590.0 24.708 24.708 3.502 0.000 -0.000 0.000 3/82308 600.0 24.283 24.283 3.442 0.000 -0.000 0.000 3/82308 610.0 23.873 23.873 3.385 0.000 -0.000 0.000 3/82308 620.0 23.477 23.477 3.329 0.000 -0.000 0.000 3/82308 630.0 23.095 23.095 3.274 0.000 -0.000 0.000 3/82308 640.0 22.724 22.724 3.222 0.000 -0.000 0.000 3/82308 650.0 22.365 22.365 3.171 0.000 -0.000 0.000 3/82308 660.0 22.018 22.018 3.122 0.000 -0.000 0.000 3/82308 670.0 21.681 21.681 3.075 0.000 -0.000 0.000 3/82308 680.0 21.355 21.355 3.028 0.000 -0.000 0.000 3/82308 690.0 21.039 21.039 2.984 0.000 -0.000 0.000 3/82308 700.0 20.731 20.731 2.940 0.000 -0.000 0.000 3/82308 710.0 20.433 20.433 2.898 0.000 -0.000 0.000 3/82308 720.0 20.143 20.143 2.857 0.000 -0.000 0.000 3/82308 730.0 19.862 19.862 2.817 0.000 -0.000 0.000 3/82308 740.0 19.588 19.588 2.778 0.000 -0.000 0.000 3/82308 750.0 19.322 19.322 2.741 0.000 -0.000 0.000 3/82308 760.0 19.063 19.063 2.704 0.000 -0.000 0.000 3/82308 770.0 18.811 18.811 2.668 0.000 -0.000 0.000 3/82308 780.0 18.566 18.566 2.634 0.000 -0.000 0.000 3/82308 790.0 18.326 18.326 2.600 0.000 -0.000 0.000 3/82308 800.0 18.094 18.094 2.567 0.000 -0.000 0.000 3/82308 810.0 17.867 17.867 2.535 0.000 -0.000 0.000 3/82308 820.0 17.645 17.645 2.503 0.000 -0.000 0.000 3/82308 830.0 17.429 17.429 2.473 0.000 -0.000 0.000 3/82308 840.0 17.219 17.219 2.443 0.000 -0.000 0.000 3/82308 850.0 17.013 17.013 2.414 0.000 -0.000 0.000 3/82308 860.0 16.812 16.812 2.385 0.000 -0.000 0.000 3/82308 870.0 16.617 16.617 2.358 0.000 -0.000 0.000 3/82308 880.0 16.425 16.425 2.331 0.000 -0.000 0.000 3/82308 890.0 16.238 16.238 2.304 0.000 -0.000 0.000 3/82308 900.0 16.055 16.055 2.278 0.000 -0.000 0.000 3/82308 910.0 15.877 15.877 2.253 0.000 -0.000 0.000 3/82308 920.0 15.702 15.702 2.228 0.000 -0.000 0.000 3/82308 930.0 15.531 15.531 2.204 0.000 -0.000 0.000 3/82308 940.0 15.364 15.364 2.180 0.000 -0.000 0.000 3/82308 950.0 15.200 15.200 2.157 0.000 -0.000 0.000 3/82308 960.0 15.040 15.040 2.134 0.000 -0.000 0.000 3/82308 970.0 14.883 14.883 2.112 0.000 -0.000 0.000 3/82308 980.0 14.730 14.730 2.090 0.000 -0.000 0.000 3/82308 990.0 14.579 14.579 2.069 0.000 -0.000 0.000 3/82308 1000.0 14.432 14.432 2.048 0.000 -0.000 0.000 3/82308Thermal conductivity related properties were written into "kappa-m191919.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:04:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|