# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/7b75f224-b0af-42ad-90f9-256bd3d5f3ab/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 KScO2 / R-3m (166) / materials id 8188](https://mdr.nims.go.jp/datasets/8161ba7e-b4aa-44d9-a6be-89fc2300ce59) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 22:45:34]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [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 1.607418445292261 0.928043472089855 6.113447426666661 b -1.607418445292258 0.928043472089855 6.113447426666661 c 0.000000000000002 -1.856086944179712 6.113447426666661Atomic positions (fractional): *1 O 0.77443880392346 0.77443880392346 0.77443880392346 15.999 2 O 0.22556119607654 0.22556119607654 0.22556119607654 15.999 *3 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 *4 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956-------------------------------- unit cell ---------------------------------Lattice vectors: a 3.214836890584519 0.000000000000000 0.000000000000000 b -1.607418445292260 2.784130416269567 0.000000000000000 c 0.000000000000000 0.000000000000000 18.340342280000002Atomic positions (fractional): *1 O 0.66666666666667 0.33333333333333 0.10777213725680 15.999 > 1 2 O 0.00000000000000 0.00000000000000 0.22556119607654 15.999 > 2 3 O 0.33333333333333 0.66666666666667 0.44110547059013 15.999 > 1 4 O 0.66666666666667 0.33333333333333 0.55889452940987 15.999 > 2 5 O 0.00000000000000 0.00000000000000 0.77443880392346 15.999 > 1 6 O 0.33333333333333 0.66666666666667 0.89222786274320 15.999 > 2 *7 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 3 8 K 0.66666666666667 0.33333333333333 0.33333333333333 39.098 > 3 9 K 0.33333333333333 0.66666666666667 0.66666666666667 39.098 > 3 *10 Sc 0.33333333333333 0.66666666666667 0.16666666666667 44.956 > 4 11 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 4 12 Sc 0.66666666666667 0.33333333333333 0.83333333333333 44.956 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 9.644510671753558 0.000000000000000 0.000000000000000 b -4.822255335876780 8.352391248808701 0.000000000000000 c 0.000000000000000 0.000000000000000 18.340342280000002Atomic positions (fractional): *1 O 0.22222222222222 0.11111111111111 0.10777213725680 15.999 > 1 2 O 0.55555555555556 0.11111111111111 0.10777213725680 15.999 > 1 3 O 0.88888888888889 0.11111111111111 0.10777213725680 15.999 > 1 4 O 0.22222222222222 0.44444444444444 0.10777213725680 15.999 > 1 5 O 0.55555555555556 0.44444444444444 0.10777213725680 15.999 > 1 6 O 0.88888888888889 0.44444444444444 0.10777213725680 15.999 > 1 7 O 0.22222222222222 0.77777777777778 0.10777213725680 15.999 > 1 8 O 0.55555555555556 0.77777777777778 0.10777213725680 15.999 > 1 9 O 0.88888888888889 0.77777777777778 0.10777213725680 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.22556119607654 15.999 > 2 11 O 0.33333333333333 0.00000000000000 0.22556119607654 15.999 > 2 12 O 0.66666666666667 0.00000000000000 0.22556119607654 15.999 > 2 13 O 0.00000000000000 0.33333333333333 0.22556119607654 15.999 > 2 14 O 0.33333333333333 0.33333333333333 0.22556119607654 15.999 > 2 15 O 0.66666666666667 0.33333333333333 0.22556119607654 15.999 > 2 16 O 0.00000000000000 0.66666666666667 0.22556119607654 15.999 > 2 17 O 0.33333333333333 0.66666666666667 0.22556119607654 15.999 > 2 18 O 0.66666666666667 0.66666666666667 0.22556119607654 15.999 > 2 19 O 0.11111111111111 0.22222222222222 0.44110547059013 15.999 > 1 20 O 0.44444444444444 0.22222222222222 0.44110547059013 15.999 > 1 21 O 0.77777777777778 0.22222222222222 0.44110547059013 15.999 > 1 22 O 0.11111111111111 0.55555555555556 0.44110547059013 15.999 > 1 23 O 0.44444444444444 0.55555555555556 0.44110547059013 15.999 > 1 24 O 0.77777777777778 0.55555555555556 0.44110547059013 15.999 > 1 25 O 0.11111111111111 0.88888888888889 0.44110547059013 15.999 > 1 26 O 0.44444444444444 0.88888888888889 0.44110547059013 15.999 > 1 27 O 0.77777777777778 0.88888888888889 0.44110547059013 15.999 > 1 28 O 0.22222222222222 0.11111111111111 0.55889452940987 15.999 > 2 29 O 0.55555555555556 0.11111111111111 0.55889452940987 15.999 > 2 30 O 0.88888888888889 0.11111111111111 0.55889452940987 15.999 > 2 31 O 0.22222222222222 0.44444444444444 0.55889452940987 15.999 > 2 32 O 0.55555555555556 0.44444444444444 0.55889452940987 15.999 > 2 33 O 0.88888888888889 0.44444444444444 0.55889452940987 15.999 > 2 34 O 0.22222222222222 0.77777777777778 0.55889452940987 15.999 > 2 35 O 0.55555555555556 0.77777777777778 0.55889452940987 15.999 > 2 36 O 0.88888888888889 0.77777777777778 0.55889452940987 15.999 > 2 37 O 0.00000000000000 0.00000000000000 0.77443880392346 15.999 > 1 38 O 0.33333333333333 0.00000000000000 0.77443880392346 15.999 > 1 39 O 0.66666666666667 0.00000000000000 0.77443880392346 15.999 > 1 40 O 0.00000000000000 0.33333333333333 0.77443880392346 15.999 > 1 41 O 0.33333333333333 0.33333333333333 0.77443880392346 15.999 > 1 42 O 0.66666666666667 0.33333333333333 0.77443880392346 15.999 > 1 43 O 0.00000000000000 0.66666666666667 0.77443880392346 15.999 > 1 44 O 0.33333333333333 0.66666666666667 0.77443880392346 15.999 > 1 45 O 0.66666666666667 0.66666666666667 0.77443880392346 15.999 > 1 46 O 0.11111111111111 0.22222222222222 0.89222786274320 15.999 > 2 47 O 0.44444444444444 0.22222222222222 0.89222786274320 15.999 > 2 48 O 0.77777777777778 0.22222222222222 0.89222786274320 15.999 > 2 49 O 0.11111111111111 0.55555555555556 0.89222786274320 15.999 > 2 50 O 0.44444444444444 0.55555555555556 0.89222786274320 15.999 > 2 51 O 0.77777777777778 0.55555555555556 0.89222786274320 15.999 > 2 52 O 0.11111111111111 0.88888888888889 0.89222786274320 15.999 > 2 53 O 0.44444444444444 0.88888888888889 0.89222786274320 15.999 > 2 54 O 0.77777777777778 0.88888888888889 0.89222786274320 15.999 > 2 *55 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 3 56 K 0.33333333333333 0.00000000000000 0.00000000000000 39.098 > 3 57 K 0.66666666666667 0.00000000000000 0.00000000000000 39.098 > 3 58 K 0.00000000000000 0.33333333333333 0.00000000000000 39.098 > 3 59 K 0.33333333333333 0.33333333333333 0.00000000000000 39.098 > 3 60 K 0.66666666666667 0.33333333333333 0.00000000000000 39.098 > 3 61 K 0.00000000000000 0.66666666666667 0.00000000000000 39.098 > 3 62 K 0.33333333333333 0.66666666666667 0.00000000000000 39.098 > 3 63 K 0.66666666666667 0.66666666666667 0.00000000000000 39.098 > 3 64 K 0.22222222222222 0.11111111111111 0.33333333333333 39.098 > 3 65 K 0.55555555555556 0.11111111111111 0.33333333333333 39.098 > 3 66 K 0.88888888888889 0.11111111111111 0.33333333333333 39.098 > 3 67 K 0.22222222222222 0.44444444444444 0.33333333333333 39.098 > 3 68 K 0.55555555555556 0.44444444444444 0.33333333333333 39.098 > 3 69 K 0.88888888888889 0.44444444444444 0.33333333333333 39.098 > 3 70 K 0.22222222222222 0.77777777777778 0.33333333333333 39.098 > 3 71 K 0.55555555555556 0.77777777777778 0.33333333333333 39.098 > 3 72 K 0.88888888888889 0.77777777777778 0.33333333333333 39.098 > 3 73 K 0.11111111111111 0.22222222222222 0.66666666666667 39.098 > 3 74 K 0.44444444444444 0.22222222222222 0.66666666666667 39.098 > 3 75 K 0.77777777777778 0.22222222222222 0.66666666666667 39.098 > 3 76 K 0.11111111111111 0.55555555555556 0.66666666666667 39.098 > 3 77 K 0.44444444444444 0.55555555555556 0.66666666666667 39.098 > 3 78 K 0.77777777777778 0.55555555555556 0.66666666666667 39.098 > 3 79 K 0.11111111111111 0.88888888888889 0.66666666666667 39.098 > 3 80 K 0.44444444444444 0.88888888888889 0.66666666666667 39.098 > 3 81 K 0.77777777777778 0.88888888888889 0.66666666666667 39.098 > 3 *82 Sc 0.11111111111111 0.22222222222222 0.16666666666667 44.956 > 4 83 Sc 0.44444444444444 0.22222222222222 0.16666666666667 44.956 > 4 84 Sc 0.77777777777778 0.22222222222222 0.16666666666667 44.956 > 4 85 Sc 0.11111111111111 0.55555555555556 0.16666666666667 44.956 > 4 86 Sc 0.44444444444444 0.55555555555556 0.16666666666667 44.956 > 4 87 Sc 0.77777777777778 0.55555555555556 0.16666666666667 44.956 > 4 88 Sc 0.11111111111111 0.88888888888889 0.16666666666667 44.956 > 4 89 Sc 0.44444444444444 0.88888888888889 0.16666666666667 44.956 > 4 90 Sc 0.77777777777778 0.88888888888889 0.16666666666667 44.956 > 4 91 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 4 92 Sc 0.33333333333333 0.00000000000000 0.50000000000000 44.956 > 4 93 Sc 0.66666666666667 0.00000000000000 0.50000000000000 44.956 > 4 94 Sc 0.00000000000000 0.33333333333333 0.50000000000000 44.956 > 4 95 Sc 0.33333333333333 0.33333333333333 0.50000000000000 44.956 > 4 96 Sc 0.66666666666667 0.33333333333333 0.50000000000000 44.956 > 4 97 Sc 0.00000000000000 0.66666666666667 0.50000000000000 44.956 > 4 98 Sc 0.33333333333333 0.66666666666667 0.50000000000000 44.956 > 4 99 Sc 0.66666666666667 0.66666666666667 0.50000000000000 44.956 > 4 100 Sc 0.22222222222222 0.11111111111111 0.83333333333333 44.956 > 4 101 Sc 0.55555555555556 0.11111111111111 0.83333333333333 44.956 > 4 102 Sc 0.88888888888889 0.11111111111111 0.83333333333333 44.956 > 4 103 Sc 0.22222222222222 0.44444444444444 0.83333333333333 44.956 > 4 104 Sc 0.55555555555556 0.44444444444444 0.83333333333333 44.956 > 4 105 Sc 0.88888888888889 0.44444444444444 0.83333333333333 44.956 > 4 106 Sc 0.22222222222222 0.77777777777778 0.83333333333333 44.956 > 4 107 Sc 0.55555555555556 0.77777777777778 0.83333333333333 44.956 > 4 108 Sc 0.88888888888889 0.77777777777778 0.83333333333333 44.956 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.1662217 -0.0000000 0.0000000 0.0000000 4.1662217 0.0000000 0.0000000 0.0000000 3.4574863-------------------------- Born effective charges -------------------------- 1 O -2.6577225 -0.0000000 0.0000000 -0.0000000 -2.6577225 0.0000000 0.0000000 0.0000000 -1.9338330 2 O -2.6577225 -0.0000000 0.0000000 -0.0000000 -2.6577225 0.0000000 0.0000000 0.0000000 -1.9338330 3 K 1.0372915 0.0000000 0.0000000 0.0000000 1.0372915 0.0000000 0.0000000 0.0000000 1.7239948 4 Sc 4.2781534 0.0000000 0.0000000 -0.0000000 4.2781534 0.0000000 0.0000000 0.0000000 2.1436712----------------------------------------------------------------------------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): 0.005Solver_block: 80 / 80 - Time: 0.128Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.134--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 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 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 22:45:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 22:45:38]-------------------------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 1.607418445292261 0.928043472089855 6.113447426666661 b -1.607418445292258 0.928043472089855 6.113447426666661 c 0.000000000000002 -1.856086944179712 6.113447426666661Atomic positions (fractional): 1 O 0.77443880392346 0.77443880392346 0.77443880392346 15.999 2 O 0.22556119607654 0.22556119607654 0.22556119607654 15.999 3 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 4 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956-------------------------------- supercell ---------------------------------Lattice vectors: a 9.644510671753558 0.000000000000000 0.000000000000000 b -4.822255335876780 8.352391248808701 0.000000000000000 c 0.000000000000000 0.000000000000000 18.340342280000002Atomic positions (fractional): 1 O 0.22222222222222 0.11111111111111 0.10777213725680 15.999 > 1 2 O 0.55555555555556 0.11111111111111 0.10777213725680 15.999 > 1 3 O 0.88888888888889 0.11111111111111 0.10777213725680 15.999 > 1 4 O 0.22222222222222 0.44444444444444 0.10777213725680 15.999 > 1 5 O 0.55555555555556 0.44444444444444 0.10777213725680 15.999 > 1 6 O 0.88888888888889 0.44444444444444 0.10777213725680 15.999 > 1 7 O 0.22222222222222 0.77777777777778 0.10777213725680 15.999 > 1 8 O 0.55555555555556 0.77777777777778 0.10777213725680 15.999 > 1 9 O 0.88888888888889 0.77777777777778 0.10777213725680 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.22556119607654 15.999 > 10 11 O 0.33333333333333 0.00000000000000 0.22556119607654 15.999 > 10 12 O 0.66666666666667 0.00000000000000 0.22556119607654 15.999 > 10 13 O 0.00000000000000 0.33333333333333 0.22556119607654 15.999 > 10 14 O 0.33333333333333 0.33333333333333 0.22556119607654 15.999 > 10 15 O 0.66666666666667 0.33333333333333 0.22556119607654 15.999 > 10 16 O 0.00000000000000 0.66666666666667 0.22556119607654 15.999 > 10 17 O 0.33333333333333 0.66666666666667 0.22556119607654 15.999 > 10 18 O 0.66666666666667 0.66666666666667 0.22556119607654 15.999 > 10 19 O 0.11111111111111 0.22222222222222 0.44110547059013 15.999 > 1 20 O 0.44444444444444 0.22222222222222 0.44110547059013 15.999 > 1 21 O 0.77777777777778 0.22222222222222 0.44110547059013 15.999 > 1 22 O 0.11111111111111 0.55555555555556 0.44110547059013 15.999 > 1 23 O 0.44444444444444 0.55555555555556 0.44110547059013 15.999 > 1 24 O 0.77777777777778 0.55555555555556 0.44110547059013 15.999 > 1 25 O 0.11111111111111 0.88888888888889 0.44110547059013 15.999 > 1 26 O 0.44444444444444 0.88888888888889 0.44110547059013 15.999 > 1 27 O 0.77777777777778 0.88888888888889 0.44110547059013 15.999 > 1 28 O 0.22222222222222 0.11111111111111 0.55889452940987 15.999 > 10 29 O 0.55555555555556 0.11111111111111 0.55889452940987 15.999 > 10 30 O 0.88888888888889 0.11111111111111 0.55889452940987 15.999 > 10 31 O 0.22222222222222 0.44444444444444 0.55889452940987 15.999 > 10 32 O 0.55555555555556 0.44444444444444 0.55889452940987 15.999 > 10 33 O 0.88888888888889 0.44444444444444 0.55889452940987 15.999 > 10 34 O 0.22222222222222 0.77777777777778 0.55889452940987 15.999 > 10 35 O 0.55555555555556 0.77777777777778 0.55889452940987 15.999 > 10 36 O 0.88888888888889 0.77777777777778 0.55889452940987 15.999 > 10 37 O 0.00000000000000 0.00000000000000 0.77443880392346 15.999 > 1 38 O 0.33333333333333 0.00000000000000 0.77443880392346 15.999 > 1 39 O 0.66666666666667 0.00000000000000 0.77443880392346 15.999 > 1 40 O 0.00000000000000 0.33333333333333 0.77443880392346 15.999 > 1 41 O 0.33333333333333 0.33333333333333 0.77443880392346 15.999 > 1 42 O 0.66666666666667 0.33333333333333 0.77443880392346 15.999 > 1 43 O 0.00000000000000 0.66666666666667 0.77443880392346 15.999 > 1 44 O 0.33333333333333 0.66666666666667 0.77443880392346 15.999 > 1 45 O 0.66666666666667 0.66666666666667 0.77443880392346 15.999 > 1 46 O 0.11111111111111 0.22222222222222 0.89222786274320 15.999 > 10 47 O 0.44444444444444 0.22222222222222 0.89222786274320 15.999 > 10 48 O 0.77777777777778 0.22222222222222 0.89222786274320 15.999 > 10 49 O 0.11111111111111 0.55555555555556 0.89222786274320 15.999 > 10 50 O 0.44444444444444 0.55555555555556 0.89222786274320 15.999 > 10 51 O 0.77777777777778 0.55555555555556 0.89222786274320 15.999 > 10 52 O 0.11111111111111 0.88888888888889 0.89222786274320 15.999 > 10 53 O 0.44444444444444 0.88888888888889 0.89222786274320 15.999 > 10 54 O 0.77777777777778 0.88888888888889 0.89222786274320 15.999 > 10 55 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 55 56 K 0.33333333333333 0.00000000000000 0.00000000000000 39.098 > 55 57 K 0.66666666666667 0.00000000000000 0.00000000000000 39.098 > 55 58 K 0.00000000000000 0.33333333333333 0.00000000000000 39.098 > 55 59 K 0.33333333333333 0.33333333333333 0.00000000000000 39.098 > 55 60 K 0.66666666666667 0.33333333333333 0.00000000000000 39.098 > 55 61 K 0.00000000000000 0.66666666666667 0.00000000000000 39.098 > 55 62 K 0.33333333333333 0.66666666666667 0.00000000000000 39.098 > 55 63 K 0.66666666666667 0.66666666666667 0.00000000000000 39.098 > 55 64 K 0.22222222222222 0.11111111111111 0.33333333333333 39.098 > 55 65 K 0.55555555555556 0.11111111111111 0.33333333333333 39.098 > 55 66 K 0.88888888888889 0.11111111111111 0.33333333333333 39.098 > 55 67 K 0.22222222222222 0.44444444444444 0.33333333333333 39.098 > 55 68 K 0.55555555555556 0.44444444444444 0.33333333333333 39.098 > 55 69 K 0.88888888888889 0.44444444444444 0.33333333333333 39.098 > 55 70 K 0.22222222222222 0.77777777777778 0.33333333333333 39.098 > 55 71 K 0.55555555555556 0.77777777777778 0.33333333333333 39.098 > 55 72 K 0.88888888888889 0.77777777777778 0.33333333333333 39.098 > 55 73 K 0.11111111111111 0.22222222222222 0.66666666666667 39.098 > 55 74 K 0.44444444444444 0.22222222222222 0.66666666666667 39.098 > 55 75 K 0.77777777777778 0.22222222222222 0.66666666666667 39.098 > 55 76 K 0.11111111111111 0.55555555555556 0.66666666666667 39.098 > 55 77 K 0.44444444444444 0.55555555555556 0.66666666666667 39.098 > 55 78 K 0.77777777777778 0.55555555555556 0.66666666666667 39.098 > 55 79 K 0.11111111111111 0.88888888888889 0.66666666666667 39.098 > 55 80 K 0.44444444444444 0.88888888888889 0.66666666666667 39.098 > 55 81 K 0.77777777777778 0.88888888888889 0.66666666666667 39.098 > 55 82 Sc 0.11111111111111 0.22222222222222 0.16666666666667 44.956 > 82 83 Sc 0.44444444444444 0.22222222222222 0.16666666666667 44.956 > 82 84 Sc 0.77777777777778 0.22222222222222 0.16666666666667 44.956 > 82 85 Sc 0.11111111111111 0.55555555555556 0.16666666666667 44.956 > 82 86 Sc 0.44444444444444 0.55555555555556 0.16666666666667 44.956 > 82 87 Sc 0.77777777777778 0.55555555555556 0.16666666666667 44.956 > 82 88 Sc 0.11111111111111 0.88888888888889 0.16666666666667 44.956 > 82 89 Sc 0.44444444444444 0.88888888888889 0.16666666666667 44.956 > 82 90 Sc 0.77777777777778 0.88888888888889 0.16666666666667 44.956 > 82 91 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 82 92 Sc 0.33333333333333 0.00000000000000 0.50000000000000 44.956 > 82 93 Sc 0.66666666666667 0.00000000000000 0.50000000000000 44.956 > 82 94 Sc 0.00000000000000 0.33333333333333 0.50000000000000 44.956 > 82 95 Sc 0.33333333333333 0.33333333333333 0.50000000000000 44.956 > 82 96 Sc 0.66666666666667 0.33333333333333 0.50000000000000 44.956 > 82 97 Sc 0.00000000000000 0.66666666666667 0.50000000000000 44.956 > 82 98 Sc 0.33333333333333 0.66666666666667 0.50000000000000 44.956 > 82 99 Sc 0.66666666666667 0.66666666666667 0.50000000000000 44.956 > 82 100 Sc 0.22222222222222 0.11111111111111 0.83333333333333 44.956 > 82 101 Sc 0.55555555555556 0.11111111111111 0.83333333333333 44.956 > 82 102 Sc 0.88888888888889 0.11111111111111 0.83333333333333 44.956 > 82 103 Sc 0.22222222222222 0.44444444444444 0.83333333333333 44.956 > 82 104 Sc 0.55555555555556 0.44444444444444 0.83333333333333 44.956 > 82 105 Sc 0.88888888888889 0.44444444444444 0.83333333333333 44.956 > 82 106 Sc 0.22222222222222 0.77777777777778 0.83333333333333 44.956 > 82 107 Sc 0.55555555555556 0.77777777777778 0.83333333333333 44.956 > 82 108 Sc 0.88888888888889 0.77777777777778 0.83333333333333 44.956 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.1662217 -0.0000000 0.0000000 0.0000000 4.1662217 0.0000000 0.0000000 0.0000000 3.4574863-------------------------- Born effective charges -------------------------- 1 O -2.6577225 -0.0000000 0.0000000 -0.0000000 -2.6577225 0.0000000 0.0000000 0.0000000 -1.9338330 2 O -2.6577225 -0.0000000 0.0000000 -0.0000000 -2.6577225 0.0000000 0.0000000 0.0000000 -1.9338330 3 K 1.0372915 0.0000000 0.0000000 0.0000000 1.0372915 0.0000000 0.0000000 0.0000000 1.7239948 4 Sc 4.2781534 0.0000000 0.0000000 -0.0000000 4.2781534 0.0000000 0.0000000 0.0000000 2.1436712----------------------------------------------------------------------------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 (xxy) 0.00000000 (xxy) 0.00000000 (xyx)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 22:45:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 22:45:43]-------------------------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 1.607418445292261 0.928043472089855 6.113447426666661 b -1.607418445292258 0.928043472089855 6.113447426666661 c 0.000000000000002 -1.856086944179712 6.113447426666661Atomic positions (fractional): 1 O 0.77443880392346 0.77443880392346 0.77443880392346 15.999 2 O 0.22556119607654 0.22556119607654 0.22556119607654 15.999 3 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 4 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956-------------------------------- supercell ---------------------------------Lattice vectors: a 9.644510671753558 0.000000000000000 0.000000000000000 b -4.822255335876780 8.352391248808701 0.000000000000000 c 0.000000000000000 0.000000000000000 18.340342280000002Atomic positions (fractional): 1 O 0.22222222222222 0.11111111111111 0.10777213725680 15.999 > 1 2 O 0.55555555555556 0.11111111111111 0.10777213725680 15.999 > 1 3 O 0.88888888888889 0.11111111111111 0.10777213725680 15.999 > 1 4 O 0.22222222222222 0.44444444444444 0.10777213725680 15.999 > 1 5 O 0.55555555555556 0.44444444444444 0.10777213725680 15.999 > 1 6 O 0.88888888888889 0.44444444444444 0.10777213725680 15.999 > 1 7 O 0.22222222222222 0.77777777777778 0.10777213725680 15.999 > 1 8 O 0.55555555555556 0.77777777777778 0.10777213725680 15.999 > 1 9 O 0.88888888888889 0.77777777777778 0.10777213725680 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.22556119607654 15.999 > 10 11 O 0.33333333333333 0.00000000000000 0.22556119607654 15.999 > 10 12 O 0.66666666666667 0.00000000000000 0.22556119607654 15.999 > 10 13 O 0.00000000000000 0.33333333333333 0.22556119607654 15.999 > 10 14 O 0.33333333333333 0.33333333333333 0.22556119607654 15.999 > 10 15 O 0.66666666666667 0.33333333333333 0.22556119607654 15.999 > 10 16 O 0.00000000000000 0.66666666666667 0.22556119607654 15.999 > 10 17 O 0.33333333333333 0.66666666666667 0.22556119607654 15.999 > 10 18 O 0.66666666666667 0.66666666666667 0.22556119607654 15.999 > 10 19 O 0.11111111111111 0.22222222222222 0.44110547059013 15.999 > 1 20 O 0.44444444444444 0.22222222222222 0.44110547059013 15.999 > 1 21 O 0.77777777777778 0.22222222222222 0.44110547059013 15.999 > 1 22 O 0.11111111111111 0.55555555555556 0.44110547059013 15.999 > 1 23 O 0.44444444444444 0.55555555555556 0.44110547059013 15.999 > 1 24 O 0.77777777777778 0.55555555555556 0.44110547059013 15.999 > 1 25 O 0.11111111111111 0.88888888888889 0.44110547059013 15.999 > 1 26 O 0.44444444444444 0.88888888888889 0.44110547059013 15.999 > 1 27 O 0.77777777777778 0.88888888888889 0.44110547059013 15.999 > 1 28 O 0.22222222222222 0.11111111111111 0.55889452940987 15.999 > 10 29 O 0.55555555555556 0.11111111111111 0.55889452940987 15.999 > 10 30 O 0.88888888888889 0.11111111111111 0.55889452940987 15.999 > 10 31 O 0.22222222222222 0.44444444444444 0.55889452940987 15.999 > 10 32 O 0.55555555555556 0.44444444444444 0.55889452940987 15.999 > 10 33 O 0.88888888888889 0.44444444444444 0.55889452940987 15.999 > 10 34 O 0.22222222222222 0.77777777777778 0.55889452940987 15.999 > 10 35 O 0.55555555555556 0.77777777777778 0.55889452940987 15.999 > 10 36 O 0.88888888888889 0.77777777777778 0.55889452940987 15.999 > 10 37 O 0.00000000000000 0.00000000000000 0.77443880392346 15.999 > 1 38 O 0.33333333333333 0.00000000000000 0.77443880392346 15.999 > 1 39 O 0.66666666666667 0.00000000000000 0.77443880392346 15.999 > 1 40 O 0.00000000000000 0.33333333333333 0.77443880392346 15.999 > 1 41 O 0.33333333333333 0.33333333333333 0.77443880392346 15.999 > 1 42 O 0.66666666666667 0.33333333333333 0.77443880392346 15.999 > 1 43 O 0.00000000000000 0.66666666666667 0.77443880392346 15.999 > 1 44 O 0.33333333333333 0.66666666666667 0.77443880392346 15.999 > 1 45 O 0.66666666666667 0.66666666666667 0.77443880392346 15.999 > 1 46 O 0.11111111111111 0.22222222222222 0.89222786274320 15.999 > 10 47 O 0.44444444444444 0.22222222222222 0.89222786274320 15.999 > 10 48 O 0.77777777777778 0.22222222222222 0.89222786274320 15.999 > 10 49 O 0.11111111111111 0.55555555555556 0.89222786274320 15.999 > 10 50 O 0.44444444444444 0.55555555555556 0.89222786274320 15.999 > 10 51 O 0.77777777777778 0.55555555555556 0.89222786274320 15.999 > 10 52 O 0.11111111111111 0.88888888888889 0.89222786274320 15.999 > 10 53 O 0.44444444444444 0.88888888888889 0.89222786274320 15.999 > 10 54 O 0.77777777777778 0.88888888888889 0.89222786274320 15.999 > 10 55 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 55 56 K 0.33333333333333 0.00000000000000 0.00000000000000 39.098 > 55 57 K 0.66666666666667 0.00000000000000 0.00000000000000 39.098 > 55 58 K 0.00000000000000 0.33333333333333 0.00000000000000 39.098 > 55 59 K 0.33333333333333 0.33333333333333 0.00000000000000 39.098 > 55 60 K 0.66666666666667 0.33333333333333 0.00000000000000 39.098 > 55 61 K 0.00000000000000 0.66666666666667 0.00000000000000 39.098 > 55 62 K 0.33333333333333 0.66666666666667 0.00000000000000 39.098 > 55 63 K 0.66666666666667 0.66666666666667 0.00000000000000 39.098 > 55 64 K 0.22222222222222 0.11111111111111 0.33333333333333 39.098 > 55 65 K 0.55555555555556 0.11111111111111 0.33333333333333 39.098 > 55 66 K 0.88888888888889 0.11111111111111 0.33333333333333 39.098 > 55 67 K 0.22222222222222 0.44444444444444 0.33333333333333 39.098 > 55 68 K 0.55555555555556 0.44444444444444 0.33333333333333 39.098 > 55 69 K 0.88888888888889 0.44444444444444 0.33333333333333 39.098 > 55 70 K 0.22222222222222 0.77777777777778 0.33333333333333 39.098 > 55 71 K 0.55555555555556 0.77777777777778 0.33333333333333 39.098 > 55 72 K 0.88888888888889 0.77777777777778 0.33333333333333 39.098 > 55 73 K 0.11111111111111 0.22222222222222 0.66666666666667 39.098 > 55 74 K 0.44444444444444 0.22222222222222 0.66666666666667 39.098 > 55 75 K 0.77777777777778 0.22222222222222 0.66666666666667 39.098 > 55 76 K 0.11111111111111 0.55555555555556 0.66666666666667 39.098 > 55 77 K 0.44444444444444 0.55555555555556 0.66666666666667 39.098 > 55 78 K 0.77777777777778 0.55555555555556 0.66666666666667 39.098 > 55 79 K 0.11111111111111 0.88888888888889 0.66666666666667 39.098 > 55 80 K 0.44444444444444 0.88888888888889 0.66666666666667 39.098 > 55 81 K 0.77777777777778 0.88888888888889 0.66666666666667 39.098 > 55 82 Sc 0.11111111111111 0.22222222222222 0.16666666666667 44.956 > 82 83 Sc 0.44444444444444 0.22222222222222 0.16666666666667 44.956 > 82 84 Sc 0.77777777777778 0.22222222222222 0.16666666666667 44.956 > 82 85 Sc 0.11111111111111 0.55555555555556 0.16666666666667 44.956 > 82 86 Sc 0.44444444444444 0.55555555555556 0.16666666666667 44.956 > 82 87 Sc 0.77777777777778 0.55555555555556 0.16666666666667 44.956 > 82 88 Sc 0.11111111111111 0.88888888888889 0.16666666666667 44.956 > 82 89 Sc 0.44444444444444 0.88888888888889 0.16666666666667 44.956 > 82 90 Sc 0.77777777777778 0.88888888888889 0.16666666666667 44.956 > 82 91 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 82 92 Sc 0.33333333333333 0.00000000000000 0.50000000000000 44.956 > 82 93 Sc 0.66666666666667 0.00000000000000 0.50000000000000 44.956 > 82 94 Sc 0.00000000000000 0.33333333333333 0.50000000000000 44.956 > 82 95 Sc 0.33333333333333 0.33333333333333 0.50000000000000 44.956 > 82 96 Sc 0.66666666666667 0.33333333333333 0.50000000000000 44.956 > 82 97 Sc 0.00000000000000 0.66666666666667 0.50000000000000 44.956 > 82 98 Sc 0.33333333333333 0.66666666666667 0.50000000000000 44.956 > 82 99 Sc 0.66666666666667 0.66666666666667 0.50000000000000 44.956 > 82 100 Sc 0.22222222222222 0.11111111111111 0.83333333333333 44.956 > 82 101 Sc 0.55555555555556 0.11111111111111 0.83333333333333 44.956 > 82 102 Sc 0.88888888888889 0.11111111111111 0.83333333333333 44.956 > 82 103 Sc 0.22222222222222 0.44444444444444 0.83333333333333 44.956 > 82 104 Sc 0.55555555555556 0.44444444444444 0.83333333333333 44.956 > 82 105 Sc 0.88888888888889 0.44444444444444 0.83333333333333 44.956 > 82 106 Sc 0.22222222222222 0.77777777777778 0.83333333333333 44.956 > 82 107 Sc 0.55555555555556 0.77777777777778 0.83333333333333 44.956 > 82 108 Sc 0.88888888888889 0.77777777777778 0.83333333333333 44.956 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 4.1662217 -0.0000000 0.0000000 0.0000000 4.1662217 0.0000000 0.0000000 0.0000000 3.4574863-------------------------- Born effective charges -------------------------- 1 O -2.6577225 -0.0000000 0.0000000 -0.0000000 -2.6577225 0.0000000 0.0000000 0.0000000 -1.9338330 2 O -2.6577225 -0.0000000 0.0000000 -0.0000000 -2.6577225 0.0000000 0.0000000 0.0000000 -1.9338330 3 K 1.0372915 0.0000000 0.0000000 0.0000000 1.0372915 0.0000000 0.0000000 0.0000000 1.7239948 4 Sc 4.2781534 0.0000000 0.0000000 -0.0000000 4.2781534 0.0000000 0.0000000 0.0000000 2.1436712----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (xxy) 0.00000000 (xxy) 0.00000000 (xyx)Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 18 18 18 ]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: 1.09, Number of G-points: 301, Lambda: 0.23Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/580) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 580Calculating 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 3.839 ( 0.000 0.000 0.000) 0.000 3.839 ( 0.000 0.000 0.000) 0.000 7.109 ( 0.000 0.000 0.000) 0.000 7.975 ( 0.000 0.000 0.000) 0.000 7.975 ( 0.000 0.000 0.000) 0.000 11.071 ( 0.000 0.000 0.000) 0.000 11.071 ( 0.000 0.000 0.000) 0.000 14.014 ( 0.000 0.000 0.000) 0.000 15.603 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/580) =======================q-point: ( 0.06 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.740 ( 30.779 17.771 10.952) 37.190 0.829 ( 35.728 20.627 -0.189) 41.255 1.583 ( 65.047 37.555 11.031) 75.916 3.879 ( 3.613 2.086 -0.823) 4.253 4.053 ( 18.597 10.737 -0.916) 21.494 7.099 ( -1.399 -0.808 1.614) 2.284 8.004 ( 2.460 1.420 0.748) 2.937 11.048 ( -1.922 -1.110 -0.186) 2.227 11.054 ( -1.620 -0.935 -0.421) 1.917 13.898 ( 2.134 1.232 -45.790) 45.856 15.477 ( -11.441 -6.605 6.632) 14.782 17.859 ( 0.156 0.090 -7.300) 7.303======================= Grid point 2 (3/580) =======================q-point: ( 0.11 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.485 ( 31.394 18.125 7.540) 37.027 1.635 ( 33.891 19.567 0.072) 39.134 2.997 ( 53.144 30.683 10.877) 62.322 4.003 ( 7.602 4.389 -1.515) 8.907 4.693 ( 37.475 21.636 -1.786) 43.310 7.060 ( -1.958 -1.131 -0.599) 2.339 8.095 ( 5.167 2.983 1.261) 6.098 10.983 ( -4.604 -2.658 -0.843) 5.382 10.986 ( -3.301 -1.906 -0.316) 3.825 13.774 ( -3.575 -2.064 -23.052) 23.419 15.142 ( -19.417 -11.211 11.850) 25.360 17.808 ( -2.522 -1.456 -11.264) 11.635======================= Grid point 3 (4/580) =======================q-point: ( 0.17 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.228 ( 31.429 18.146 3.771) 36.487 2.370 ( 29.319 16.927 0.300) 33.856 4.057 ( 36.713 21.196 9.060) 43.350 4.228 ( 12.515 7.226 -1.926) 14.579 5.739 ( 51.792 29.902 -1.959) 59.836 7.013 ( -1.603 -0.925 -1.675) 2.496 8.252 ( 8.206 4.738 1.402) 9.579 10.829 ( -8.448 -4.877 -1.446) 9.861 10.901 ( -3.821 -2.206 -0.341) 4.425 13.605 ( -5.964 -3.444 -15.183) 16.672 14.681 ( -23.731 -13.701 15.687) 31.575 17.661 ( -7.064 -4.079 -13.736) 15.976======================= Grid point 4 (5/580) =======================q-point: ( 0.22 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.946 ( 30.030 17.338 1.240) 34.698 2.963 ( 21.673 12.513 0.246) 25.027 4.573 ( 17.872 10.319 -1.887) 20.723 4.794 ( 26.163 15.105 5.984) 30.797 6.883 ( 28.865 16.665 -11.867) 35.380 7.051 ( 22.168 12.799 7.880) 26.783 8.482 ( 11.389 6.576 1.169) 13.203 10.606 ( -9.508 -5.489 -1.916) 11.144 10.814 ( -3.548 -2.049 -0.225) 4.103 13.410 ( -7.433 -4.291 -12.187) 14.906 14.164 ( -25.264 -14.586 18.672) 34.636 17.402 ( -11.564 -6.677 -14.451) 19.676======================= Grid point 5 (6/580) =======================q-point: ( 0.28 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.371 ( 14.057 8.116 -0.059) 16.232 3.606 ( 26.684 15.406 0.833) 30.823 5.017 ( 20.277 11.707 -1.491) 23.461 5.322 ( 19.025 10.984 1.502) 22.019 6.969 ( 1.285 0.742 -3.766) 4.048 8.001 ( 36.040 20.807 -0.028) 41.615 8.781 ( 14.166 8.179 0.674) 16.371 10.454 ( -1.015 -0.586 -1.194) 1.673 10.739 ( -2.951 -1.704 0.038) 3.408 13.182 ( -9.215 -5.321 -12.638) 16.521 13.651 ( -23.871 -13.782 20.663) 34.449 17.054 ( -14.590 -8.424 -13.253) 21.436======================= Grid point 6 (7/580) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.630 ( 8.876 5.125 -0.283) 10.253 4.168 ( 21.441 12.379 2.442) 24.878 5.461 ( 17.890 10.329 -1.081) 20.686 5.701 ( 14.793 8.541 -4.633) 17.699 6.959 ( -2.584 -1.492 0.011) 2.984 8.578 ( 15.437 8.912 -2.433) 17.990 9.129 ( 15.615 9.015 0.080) 18.031 10.612 ( 13.364 7.716 0.934) 15.459 10.676 ( -2.691 -1.554 0.395) 3.132 12.912 ( -10.423 -6.018 -11.839) 16.883 13.221 ( -17.785 -10.268 17.824) 27.193 16.667 ( -15.553 -8.979 -10.343) 20.724======================= Grid point 7 (8/580) =======================q-point: ( 0.39 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.791 ( 5.387 3.110 -0.305) 6.228 4.604 ( 15.413 8.899 4.547) 18.369 5.813 ( 12.602 7.276 -0.741) 14.570 5.993 ( 12.799 7.390 -11.332) 18.624 6.821 ( -9.876 -5.702 4.607) 12.299 8.836 ( 10.197 5.887 -2.606) 12.059 9.483 ( 14.688 8.480 -0.428) 16.966 10.611 ( -3.132 -1.808 0.714) 3.686 10.893 ( 6.508 3.757 2.557) 7.938 12.686 ( -5.934 -3.426 -6.857) 9.693 12.967 ( -6.834 -3.946 9.012) 11.978 16.294 ( -14.166 -8.179 -6.572) 17.628======================= Grid point 8 (9/580) =======================q-point: ( 0.44 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.882 ( 2.585 1.493 -0.185) 2.991 4.903 ( 9.080 5.243 4.466) 11.397 6.030 ( 6.369 3.677 -0.392) 7.365 6.216 ( 10.268 5.928 -18.208) 21.727 6.576 ( -12.200 -7.044 12.382) 18.756 9.065 ( 9.439 5.450 -1.613) 11.018 9.777 ( 10.195 5.886 -0.589) 11.787 10.536 ( -3.351 -1.935 0.725) 3.937 10.881 ( -5.884 -3.397 2.372) 7.196 12.565 ( -3.864 -2.231 -2.198) 4.974 12.984 ( 4.949 2.857 2.018) 6.060 16.001 ( -9.285 -5.361 -2.993) 11.131======================= Grid point 9 (10/580) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 775Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.911 ( 0.000 0.000 0.000) 0.000 5.022 ( 0.000 0.000 0.000) 0.000 6.103 ( 0.000 0.000 0.000) 0.000 6.350 ( 0.000 0.000 -0.000) 0.000 6.400 ( -0.000 -0.000 0.000) 0.000 9.189 ( 0.000 0.000 0.000) 0.000 9.904 ( 0.000 0.000 0.000) 0.000 10.490 ( 0.000 0.000 0.000) 0.000 10.788 ( 0.000 0.000 0.000) 0.000 12.513 ( 0.000 0.000 0.000) 0.000 13.068 ( 0.000 0.000 -0.000) 0.000 15.883 ( 0.000 0.000 0.000) 0.000======================= Grid point 20 (11/580) =======================q-point: ( 0.06 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.846 ( 0.000 33.287 30.142) 44.906 0.898 ( 0.000 40.196 14.209) 42.633 1.569 ( 0.000 73.529 8.601) 74.030 3.875 ( -0.000 4.149 -1.759) 4.506 4.049 ( -0.000 21.522 -1.686) 21.588 7.098 ( 0.000 -2.873 1.505) 3.243 7.999 ( -0.000 2.566 -0.543) 2.622 11.049 ( -0.000 -2.175 -0.015) 2.175 11.054 ( -0.000 -1.820 -0.220) 1.833 13.680 ( -0.000 19.578 -86.188) 88.384 15.502 ( 0.000 -12.793 9.855) 16.149 17.849 ( -0.000 1.344 -8.503) 8.608======================= Grid point 21 (12/580) =======================q-point: ( 0.11 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.332 ( 13.233 30.750 21.009) 39.523 1.527 ( 16.730 36.788 9.080) 41.421 2.653 ( 35.629 54.370 11.513) 66.015 3.959 ( 4.121 6.959 -2.471) 8.457 4.467 ( 18.391 32.077 -2.577) 37.065 7.062 ( -0.845 -2.696 -1.547) 3.221 8.061 ( 3.282 4.045 0.160) 5.211 11.005 ( -1.749 -2.739 -0.210) 3.257 11.009 ( -2.368 -3.708 -0.771) 4.466 13.651 ( 3.691 1.913 -46.131) 46.318 15.297 ( -9.993 -17.554 14.722) 24.995 17.807 ( -2.426 0.290 -11.748) 12.000======================= Grid point 22 (13/580) =======================q-point: ( 0.17 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.982 ( 21.851 26.023 12.987) 36.377 2.210 ( 19.425 31.611 4.895) 37.424 3.742 ( 33.127 33.872 10.909) 48.618 4.146 ( 8.112 11.521 -2.756) 14.357 5.311 ( 36.800 41.235 -2.882) 55.343 7.012 ( -0.991 -2.310 -2.969) 3.890 8.191 ( 5.827 6.094 0.822) 8.471 10.883 ( -5.759 -6.999 -1.543) 9.194 10.941 ( -2.680 -2.030 -0.340) 3.379 13.553 ( -0.237 -4.483 -27.554) 27.917 14.922 ( -16.913 -19.736 18.552) 31.934 17.689 ( -5.616 -2.687 -14.470) 15.752======================= Grid point 23 (14/580) =======================q-point: ( 0.22 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.655 ( 24.190 21.950 6.711) 33.347 2.830 ( 17.587 25.095 3.198) 30.811 4.443 ( 13.498 16.889 -2.238) 21.736 4.556 ( 24.175 21.777 7.582) 33.409 6.438 ( 42.962 39.472 -5.514) 58.602 6.988 ( 2.029 1.110 -0.361) 2.341 8.390 ( 8.536 8.349 1.038) 11.985 10.666 ( -8.138 -10.218 -2.258) 13.257 10.877 ( -3.442 0.283 -0.380) 3.474 13.397 ( -2.906 -6.910 -19.282) 20.688 14.454 ( -20.727 -19.963 21.093) 35.680 17.467 ( -9.452 -6.357 -15.402) 19.156======================= Grid point 24 (15/580) =======================q-point: ( 0.28 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.237 ( 16.576 15.760 2.146) 22.973 3.367 ( 19.996 20.618 2.960) 28.874 4.876 ( 15.348 21.052 -2.330) 26.156 5.134 ( 18.804 15.490 4.136) 24.711 6.918 ( 3.686 1.240 -7.949) 8.850 7.633 ( 37.108 33.299 2.779) 49.936 8.659 ( 11.229 10.518 0.907) 15.412 10.428 ( -4.608 -10.668 -2.191) 11.826 10.832 ( -4.011 4.167 -0.295) 5.792 13.196 ( -5.263 -8.510 -16.034) 18.900 13.953 ( -21.882 -18.713 22.191) 36.351 17.151 ( -12.396 -9.569 -14.438) 21.300======================= Grid point 25 (16/580) =======================q-point: ( 0.33 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.575 ( 7.801 12.163 0.649) 14.464 3.931 ( 21.714 15.414 2.726) 26.768 5.344 ( 14.553 20.360 -2.242) 25.127 5.552 ( 13.163 13.122 -1.468) 18.644 6.956 ( 1.556 0.194 -2.539) 2.985 8.419 ( 19.394 20.851 -0.819) 28.488 8.987 ( 13.169 12.127 0.534) 17.910 10.364 ( 9.286 -7.063 -0.615) 11.683 10.832 ( -3.656 10.412 0.096) 11.036 12.949 ( -7.287 -9.594 -14.143) 18.579 13.479 ( -19.819 -15.705 20.027) 32.257 16.777 ( -13.488 -11.725 -11.668) 21.343======================= Grid point 26 (17/580) =======================q-point: ( 0.39 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.782 ( 3.542 10.146 0.078) 10.747 4.417 ( 18.104 10.489 3.757) 21.258 5.736 ( 12.403 12.792 -5.026) 18.513 5.868 ( 8.023 16.652 -5.706) 19.344 6.923 ( -5.132 -2.303 3.003) 6.376 8.761 ( 6.820 10.979 -2.295) 13.127 9.345 ( 13.354 12.495 0.048) 18.288 10.502 ( 9.755 -7.237 0.369) 12.151 10.947 ( 0.823 15.866 1.518) 15.960 12.699 ( -5.418 -8.494 -9.855) 14.093 13.105 ( -13.218 -10.424 12.776) 21.133 16.397 ( -12.554 -12.479 -7.774) 19.333======================= Grid point 27 (18/580) =======================q-point: ( 0.44 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.908 ( 0.357 8.707 -0.169) 8.716 4.780 ( 12.737 6.076 4.302) 14.753 6.000 ( 10.879 5.705 -12.739) 17.697 6.119 ( 1.895 18.707 -4.776) 19.400 6.758 ( -11.484 -3.776 9.618) 15.449 8.975 ( 7.979 9.116 -1.956) 12.272 9.675 ( 10.727 10.711 -0.376) 15.164 10.521 ( 1.357 -5.874 0.368) 6.040 11.040 ( -7.657 8.157 2.736) 11.518 12.567 ( -0.619 -5.036 -4.559) 6.821 12.935 ( -0.279 -3.488 4.493) 5.695 16.067 ( -9.203 -11.245 -3.871) 15.038======================= Grid point 28 (19/580) =======================q-point: ( 0.50 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.969 ( -2.420 7.310 -0.229) 7.703 4.984 ( 4.896 0.947 1.389) 5.177 6.162 ( 7.456 4.213 -15.208) 17.453 6.271 ( -1.927 15.180 -3.664) 15.734 6.559 ( -11.562 -2.053 15.081) 19.113 9.172 ( 4.618 5.767 -1.132) 7.475 9.891 ( 4.001 5.189 -0.351) 6.561 10.480 ( 0.085 -3.234 0.348) 3.253 10.923 ( -10.917 6.461 1.755) 12.807 12.509 ( -0.377 -2.470 -0.952) 2.674 12.996 ( 5.829 -2.663 0.257) 6.414 15.863 ( -1.969 -7.165 -0.666) 7.460======================= Grid point 29 (20/580) =======================q-point: (-0.44 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.970 ( -5.012 5.727 -0.181) 7.613 4.960 ( -4.791 -4.548 -3.892) 7.667 6.210 ( -6.228 5.839 -2.286) 8.838 6.383 ( -5.523 -3.666 17.642) 18.846 6.431 ( 2.362 13.048 -12.226) 18.036 9.179 ( -6.577 -0.854 0.354) 6.641 9.893 ( -6.248 -0.836 0.243) 6.309 10.478 ( 2.470 -1.576 0.004) 2.930 10.911 ( -1.222 12.162 -0.869) 12.254 12.518 ( 3.158 -0.299 1.139) 3.370 12.988 ( -1.204 -6.911 -1.368) 7.148 15.876 ( 8.149 -1.349 2.123) 8.529======================= Grid point 30 (21/580) =======================q-point: (-0.39 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.909 ( -7.581 3.874 -0.074) 8.514 4.735 ( -11.543 -7.907 -5.567) 15.058 6.064 ( -14.169 1.109 2.570) 14.443 6.195 ( -14.879 -0.674 9.736) 17.794 6.683 ( 11.336 8.968 -5.968) 15.638 8.993 ( -11.366 -2.314 1.934) 11.759 9.679 ( -14.635 -4.159 0.383) 15.219 10.518 ( 4.165 -3.759 -0.267) 5.617 11.016 ( -3.393 10.908 -2.353) 11.664 12.608 ( 6.426 -0.647 4.498) 7.871 12.888 ( 0.720 -3.291 -5.824) 6.728 16.108 ( 15.584 2.919 5.139) 16.667======================= Grid point 31 (22/580) =======================q-point: (-0.33 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.782 ( -10.458 1.684 0.061) 10.593 4.382 ( -17.249 -10.209 -3.963) 20.432 5.772 ( -20.403 -1.009 2.927) 20.637 5.919 ( -17.684 -2.600 5.156) 18.603 6.899 ( 6.591 3.728 -2.390) 7.941 8.784 ( -12.913 -0.636 2.848) 13.239 9.345 ( -17.596 -5.602 0.058) 18.466 10.498 ( 1.226 -11.762 -0.401) 11.833 10.934 ( -13.627 7.864 -1.311) 15.788 12.785 ( 12.342 1.705 8.827) 15.269 12.984 ( 12.092 4.470 -13.622) 18.755 16.471 ( 18.589 5.066 8.213) 20.944======================= Grid point 32 (23/580) =======================q-point: (-0.28 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.573 ( -14.473 -1.166 0.204) 14.522 3.912 ( -23.539 -11.395 -1.452) 26.192 5.364 ( -25.691 -1.603 2.047) 25.822 5.563 ( -19.712 -6.297 1.157) 20.726 6.970 ( 1.108 -0.537 0.345) 1.279 8.431 ( -28.759 -7.133 1.795) 29.685 8.983 ( -17.235 -5.535 -0.378) 18.106 10.369 ( 2.050 -10.954 0.356) 11.150 10.830 ( -6.989 8.638 -0.178) 11.113 13.071 ( 12.201 2.376 11.847) 17.172 13.297 ( 22.478 8.771 -19.221) 30.849 16.878 ( 18.431 5.811 10.445) 21.968======================= Grid point 33 (24/580) =======================q-point: (-0.22 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.228 ( -22.512 -7.631 0.335) 23.772 3.354 ( -27.783 -7.742 0.112) 28.842 4.893 ( -25.923 -2.478 1.565) 26.088 5.103 ( -24.833 -9.090 -2.558) 26.568 6.968 ( 0.000 -1.328 2.850) 3.144 7.617 ( -49.601 -16.619 -0.658) 52.316 8.651 ( -14.899 -4.473 -0.761) 15.574 10.444 ( 11.860 -1.123 1.350) 11.989 10.833 ( -1.552 5.674 0.112) 5.883 13.312 ( 10.407 1.789 7.365) 12.875 13.777 ( 27.036 9.519 -14.536) 32.138 17.267 ( 15.844 5.309 10.979) 19.994======================= Grid point 34 (25/580) =======================q-point: (-0.17 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.624 ( -32.678 -12.116 -0.037) 34.852 2.818 ( -30.727 -3.815 0.624) 30.969 4.453 ( -24.298 -5.410 0.020) 24.893 4.506 ( -29.757 -7.563 -3.476) 30.900 6.472 ( -58.609 -18.071 1.812) 61.358 6.989 ( 1.451 -0.345 -0.034) 1.492 8.381 ( -11.656 -2.967 -0.936) 12.064 10.682 ( 12.868 1.885 1.141) 13.055 10.879 ( 1.517 3.123 0.188) 3.477 13.521 ( 9.693 1.495 6.268) 11.640 14.302 ( 27.394 7.986 -10.410) 30.374 17.582 ( 11.367 3.723 9.475) 15.260======================= Grid point 35 (26/580) =======================q-point: (-0.11 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.917 ( -35.961 -9.039 -0.917) 37.091 2.191 ( -37.590 -3.058 0.794) 37.723 3.671 ( -48.006 -10.447 -4.491) 49.334 4.162 ( -13.801 -1.161 0.607) 13.863 5.327 ( -53.876 -11.191 0.716) 55.031 7.026 ( 2.500 -0.011 0.329) 2.522 8.184 ( -8.291 -1.452 -0.724) 8.448 10.893 ( 8.824 1.357 0.530) 8.943 10.943 ( 3.128 1.228 0.157) 3.364 13.715 ( 9.001 1.026 6.105) 10.925 14.802 ( 25.331 4.896 -5.902) 26.466 17.783 ( 6.074 1.663 5.894) 8.626======================= Grid point 36 (27/580) =======================q-point: (-0.06 0.06 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.229 ( -36.703 -0.000 0.000) 36.703 1.487 ( -41.618 -0.000 0.000) 41.618 2.600 ( -66.454 -0.000 0.000) 66.454 3.970 ( -8.047 -0.000 0.000) 8.047 4.479 ( -36.924 -0.000 0.000) 36.924 7.069 ( 2.182 0.000 -0.000) 2.182 8.060 ( -5.152 -0.000 0.000) 5.152 11.006 ( 3.244 0.000 -0.000) 3.244 11.013 ( 4.338 0.000 -0.000) 4.338 13.877 ( 7.386 0.000 -0.000) 7.386 15.218 ( 20.306 0.000 -0.000) 20.306 17.865 ( 1.663 0.000 -0.000) 1.663======================= Grid point 39 (28/580) =======================q-point: ( 0.11 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.691 ( 0.000 34.031 26.693) 43.251 1.763 ( 0.000 37.724 13.396) 40.032 2.974 ( 0.000 60.151 8.940) 60.812 3.986 ( -0.000 8.705 -3.522) 9.390 4.681 ( -0.000 43.345 -3.083) 43.454 7.033 ( -0.000 -2.865 -3.457) 4.490 8.076 ( -0.000 5.711 -0.764) 5.762 10.983 ( -0.000 -5.375 -0.874) 5.445 10.988 ( -0.000 -3.799 -0.102) 3.801 13.494 ( -0.000 2.349 -46.721) 46.780 15.228 ( 0.000 -22.113 16.391) 27.525 17.802 ( -0.000 -0.364 -11.223) 11.229======================= Grid point 40 (29/580) =======================q-point: ( 0.17 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.113 ( 4.684 33.410 20.304) 39.376 2.304 ( 11.694 33.835 11.546) 37.615 3.716 ( 17.523 44.021 9.325) 48.290 4.132 ( 6.242 12.564 -3.930) 14.569 5.301 ( 17.241 52.232 -3.522) 55.116 6.989 ( -0.470 -2.269 -4.430) 4.999 8.175 ( 3.824 7.569 -0.297) 8.485 10.883 ( -3.550 -8.370 -1.591) 9.230 10.942 ( -0.629 -3.315 -0.243) 3.382 13.388 ( 2.151 -3.863 -34.917) 35.196 14.974 ( -8.128 -24.482 18.787) 31.912 17.715 ( -4.449 -2.418 -12.507) 13.493======================= Grid point 41 (30/580) =======================q-point: ( 0.22 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.628 ( 11.988 28.977 13.561) 34.165 2.860 ( 12.569 28.532 7.793) 32.137 4.403 ( 14.275 25.133 1.680) 28.953 4.454 ( 16.132 22.875 2.480) 28.101 6.234 ( 29.388 49.818 -5.805) 58.131 6.968 ( 1.438 1.977 -1.916) 3.106 8.353 ( 6.637 9.857 0.376) 11.889 10.681 ( -7.173 -11.816 -2.442) 14.037 10.910 ( -0.487 -0.735 -0.392) 0.965 13.264 ( 0.934 -8.314 -25.420) 26.761 14.594 ( -13.761 -24.645 20.778) 35.049 17.521 ( -8.704 -5.774 -13.551) 17.109======================= Grid point 42 (31/580) =======================q-point: ( 0.28 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.157 ( 14.682 22.963 7.222) 28.196 3.342 ( 11.474 22.714 5.897) 26.122 4.857 ( 13.299 25.197 -2.578) 28.608 5.011 ( 17.556 20.309 4.142) 27.163 6.827 ( 6.286 4.885 -11.514) 13.999 7.437 ( 29.451 41.386 5.137) 51.055 8.602 ( 9.079 12.365 0.901) 15.366 10.405 ( -7.884 -13.881 -2.837) 16.214 10.915 ( -0.449 3.956 -0.577) 4.023 13.098 ( -1.184 -11.057 -19.792) 22.702 14.150 ( -16.999 -23.167 21.627) 35.964 17.222 ( -12.028 -9.566 -13.332) 20.345======================= Grid point 43 (32/580) =======================q-point: ( 0.33 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.588 ( 9.094 17.357 2.904) 19.809 3.785 ( 15.131 18.395 5.234) 24.387 5.297 ( 11.977 17.374 -2.676) 21.271 5.509 ( 14.293 24.813 -0.743) 28.645 6.906 ( 3.958 2.067 -4.642) 6.441 8.325 ( 22.944 33.851 1.256) 40.913 8.914 ( 11.059 14.458 1.123) 18.238 10.177 ( 0.113 -12.606 -2.122) 12.783 10.975 ( -0.400 10.453 -0.658) 10.482 12.884 ( -3.407 -12.632 -16.387) 20.969 13.691 ( -17.870 -20.327 20.244) 33.799 16.848 ( -13.471 -12.901 -11.541) 21.934======================= Grid point 44 (33/580) =======================q-point: ( 0.39 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.857 ( 3.331 15.125 1.489) 15.559 4.241 ( 16.624 13.287 4.472) 21.746 5.595 ( 10.922 7.115 -7.362) 14.970 5.977 ( 8.155 29.079 -3.026) 30.352 6.973 ( 0.479 2.905 2.173) 3.659 8.815 ( 3.986 19.429 -1.226) 19.872 9.268 ( 11.882 15.330 1.016) 19.422 10.205 ( 14.082 -8.013 -0.637) 16.214 11.113 ( 0.543 17.018 -0.080) 17.027 12.642 ( -4.090 -12.654 -12.586) 18.310 13.271 ( -15.406 -15.755 15.343) 26.851 16.447 ( -12.607 -15.138 -8.410) 21.420======================= Grid point 45 (34/580) =======================q-point: ( 0.44 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.029 ( -0.469 14.042 0.693) 14.066 4.630 ( 13.898 8.266 4.243) 16.718 5.797 ( 11.016 2.614 -13.686) 17.762 6.319 ( 1.578 23.064 -2.130) 23.216 6.971 ( -8.171 7.514 7.499) 13.396 8.988 ( 1.731 12.910 -1.673) 13.133 9.617 ( 10.473 14.100 0.691) 17.577 10.361 ( 9.995 -6.924 -0.570) 12.172 11.281 ( -3.980 16.584 1.491) 17.120 12.457 ( 1.025 -10.578 -7.648) 13.093 12.971 ( -8.013 -8.943 7.935) 14.393 16.078 ( -9.495 -15.543 -4.767) 18.827======================= Grid point 46 (35/580) =======================q-point: ( 0.50 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.128 ( -3.748 12.970 0.087) 13.501 4.892 ( 8.176 2.707 2.404) 8.942 5.956 ( 11.038 1.541 -18.002) 21.173 6.463 ( -2.806 7.218 5.439) 9.463 6.921 ( -15.489 20.914 6.464) 26.816 9.162 ( 4.493 10.172 -1.287) 11.194 9.881 ( 5.285 9.231 0.281) 10.641 10.406 ( 3.882 -5.422 -0.357) 6.678 11.258 ( -14.435 12.748 2.115) 19.374 12.418 ( 5.389 -8.230 -3.076) 10.308 12.881 ( 2.206 -3.693 1.924) 4.712 15.805 ( -3.593 -13.137 -1.509) 13.702======================= Grid point 47 (36/580) =======================q-point: (-0.44 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.159 ( -6.697 11.365 -0.347) 13.196 4.959 ( -0.513 -2.879 -2.224) 3.674 6.113 ( 10.704 1.655 -16.125) 19.425 6.439 ( -3.623 -3.810 14.982) 15.878 6.888 ( -19.625 29.708 0.721) 35.612 9.269 ( -1.982 4.417 -0.830) 4.912 9.969 ( -1.687 3.047 0.305) 3.496 10.417 ( 2.357 -3.675 0.314) 4.377 11.166 ( -10.963 16.904 0.788) 20.163 12.428 ( 5.117 -6.489 -0.093) 8.264 12.896 ( 2.471 -6.071 -0.926) 6.620 15.713 ( 5.744 -7.905 1.157) 9.840======================= Grid point 48 (37/580) =======================q-point: (-0.39 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.121 ( -9.279 9.095 -0.590) 13.006 4.821 ( -8.275 -5.819 -5.187) 11.369 6.162 ( -1.726 -6.201 -1.900) 6.711 6.440 ( 1.485 0.503 9.054) 9.189 6.833 ( -18.347 27.644 -3.221) 33.334 9.177 ( -9.861 1.154 0.463) 9.939 9.882 ( -10.674 -0.552 0.298) 10.693 10.415 ( 2.603 -5.261 0.592) 5.899 11.229 ( -5.075 19.250 -0.992) 19.932 12.471 ( 7.091 -6.881 2.603) 10.218 12.826 ( -0.756 -6.069 -3.836) 7.219 15.854 ( 15.227 -2.548 3.628) 15.859======================= Grid point 49 (38/580) =======================q-point: (-0.33 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.016 ( -11.673 6.415 -0.599) 13.334 4.547 ( -13.867 -7.203 -4.758) 16.335 5.981 ( -9.813 -8.311 5.205) 13.873 6.370 ( -19.628 9.082 3.460) 21.903 6.858 ( -0.621 11.571 -3.947) 12.241 9.021 ( -11.129 4.663 1.947) 12.223 9.611 ( -17.484 -2.857 0.020) 17.716 10.370 ( 0.340 -11.480 0.357) 11.491 11.259 ( -12.113 13.566 -0.871) 18.207 12.574 ( 12.354 -4.729 4.026) 13.827 12.818 ( 6.271 0.098 -7.472) 9.755 16.179 ( 20.746 0.884 5.852) 21.574======================= Grid point 50 (39/580) =======================q-point: (-0.28 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.839 ( -14.591 3.544 -0.343) 15.019 4.175 ( -19.035 -7.896 -2.755) 20.791 5.707 ( -15.276 -6.128 4.663) 17.107 6.012 ( -30.647 7.319 0.746) 31.517 6.935 ( 2.022 1.356 -1.920) 3.101 8.847 ( -19.587 5.047 2.241) 20.351 9.256 ( -19.221 -3.267 -0.246) 19.498 10.213 ( 0.144 -15.370 0.198) 15.372 11.114 ( -14.845 9.276 0.021) 17.505 12.859 ( 19.079 0.182 9.045) 21.115 12.976 ( 13.649 3.375 -14.596) 20.267 16.594 ( 22.233 2.631 7.114) 23.491======================= Grid point 51 (40/580) =======================q-point: (-0.22 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.562 ( -20.272 -0.674 0.068) 20.283 3.729 ( -23.142 -5.510 -0.848) 23.804 5.350 ( -22.747 -2.498 2.944) 23.073 5.502 ( -31.561 0.501 -1.210) 31.588 6.951 ( 0.734 -1.096 -0.007) 1.320 8.319 ( -42.726 -4.534 0.769) 42.973 8.900 ( -18.042 -2.597 -0.350) 18.231 10.204 ( 11.674 -5.738 0.741) 13.030 10.983 ( -8.970 5.995 0.150) 10.790 13.144 ( 11.939 -0.193 6.008) 13.367 13.346 ( 26.583 5.388 -11.251) 29.364 17.019 ( 20.672 2.920 6.702) 21.926======================= Grid point 52 (41/580) =======================q-point: (-0.17 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.092 ( -29.967 -4.284 0.223) 30.272 3.288 ( -25.433 -0.848 0.086) 25.448 4.895 ( -28.533 0.683 1.832) 28.600 4.953 ( -29.330 -4.008 -2.293) 29.691 6.957 ( 1.095 -0.730 1.100) 1.715 7.372 ( -57.461 -6.606 -0.518) 57.842 8.590 ( -15.212 -1.372 -0.332) 15.277 10.438 ( 16.159 -0.205 0.606) 16.172 10.921 ( -3.293 2.442 0.077) 4.101 13.357 ( 11.379 0.261 2.061) 11.567 13.848 ( 28.545 3.373 -4.959) 29.168 17.388 ( 16.794 1.870 4.320) 17.441======================= Grid point 53 (42/580) =======================q-point: (-0.11 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.498 ( -35.210 -0.000 0.000) 35.210 2.789 ( -32.141 -0.000 0.000) 32.141 4.351 ( -36.677 -0.000 0.000) 36.677 4.466 ( -22.086 -0.000 0.000) 22.086 6.288 ( -61.510 -0.000 0.000) 61.510 6.985 ( 2.138 0.000 -0.000) 2.138 8.349 ( -11.766 -0.000 0.000) 11.766 10.704 ( 13.684 0.000 -0.000) 13.684 10.913 ( 0.838 0.000 -0.000) 0.838 13.554 ( 10.732 0.000 -0.000) 10.732 14.351 ( 28.092 0.000 -0.000) 28.092 17.650 ( 11.491 0.000 -0.000) 11.491======================= Grid point 58 (43/580) =======================q-point: ( 0.17 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.514 ( 0.000 33.139 21.961) 39.755 2.539 ( 0.000 31.588 11.745) 33.700 4.041 ( 0.000 42.266 8.060) 43.028 4.190 ( -0.000 14.675 -4.840) 15.452 5.705 ( -0.000 58.542 -4.325) 58.702 6.961 ( -0.000 -0.613 -5.042) 5.079 8.223 ( 0.000 9.621 -0.538) 9.636 10.822 ( -0.000 -9.759 -1.930) 9.948 10.902 ( -0.000 -4.524 -0.263) 4.532 13.219 ( -0.000 -5.388 -32.995) 33.432 14.839 ( 0.000 -27.058 18.762) 32.927 17.690 ( -0.000 -4.072 -11.280) 11.993======================= Grid point 59 (44/580) =======================q-point: ( 0.22 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.858 ( 1.893 29.025 14.419) 32.464 2.993 ( 8.096 27.865 12.772) 31.704 4.426 ( 9.468 19.861 -4.462) 22.450 4.524 ( 8.019 32.959 6.738) 34.583 6.368 ( 11.942 49.683 -8.692) 51.832 6.984 ( 1.891 9.616 -0.623) 9.820 8.365 ( 4.099 11.770 -0.077) 12.464 10.663 ( -5.132 -11.890 -2.456) 13.181 10.876 ( 1.838 -2.992 -0.406) 3.535 13.073 ( 1.408 -8.819 -27.139) 28.571 14.565 ( -6.315 -27.544 19.101) 34.109 17.553 ( -5.839 -6.676 -11.053) 14.172======================= Grid point 60 (45/580) =======================q-point: ( 0.28 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.238 ( 7.047 23.604 9.296) 26.330 3.423 ( 8.290 22.796 9.869) 26.188 4.876 ( 15.458 27.124 -3.446) 31.409 4.978 ( 10.376 22.808 3.736) 25.335 6.753 ( 4.911 7.493 -12.694) 15.537 7.476 ( 18.912 46.692 5.206) 50.645 8.595 ( 7.242 14.150 0.717) 15.912 10.404 ( -8.696 -13.408 -2.879) 16.238 10.913 ( 3.638 1.505 -0.640) 3.989 12.916 ( 0.856 -12.009 -21.738) 24.849 14.204 ( -10.700 -26.345 19.182) 34.300 17.291 ( -10.943 -9.899 -10.831) 18.305======================= Grid point 61 (46/580) =======================q-point: ( 0.33 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.618 ( 9.463 18.829 4.889) 21.633 3.797 ( 8.388 18.569 8.222) 21.972 5.286 ( 6.910 15.907 -2.775) 17.564 5.498 ( 18.837 29.448 -1.835) 35.005 6.846 ( 4.523 4.321 -5.820) 8.544 8.316 ( 22.061 41.333 2.616) 46.925 8.896 ( 9.387 16.336 1.527) 18.903 10.107 ( -7.987 -13.329 -2.837) 15.795 11.032 ( 4.776 8.349 -1.069) 9.678 12.728 ( -0.607 -14.102 -17.651) 22.601 13.800 ( -13.269 -23.880 18.176) 32.813 16.924 ( -14.098 -13.231 -9.922) 21.732======================= Grid point 62 (47/580) =======================q-point: ( 0.39 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.946 ( 6.304 16.389 2.968) 17.809 4.153 ( 11.344 14.707 6.420) 19.652 5.488 ( 6.183 6.712 -8.104) 12.205 6.082 ( 13.387 29.660 -3.474) 32.726 6.984 ( 5.180 8.093 2.141) 9.844 8.969 ( 8.621 29.481 0.431) 30.719 9.243 ( 10.375 17.216 1.870) 20.188 9.919 ( 4.534 -11.489 -1.903) 12.497 11.234 ( 4.868 15.854 -1.406) 16.644 12.514 ( -1.745 -14.592 -13.946) 20.260 13.393 ( -13.660 -20.164 15.319) 28.773 16.498 ( -14.485 -16.062 -8.044) 23.076======================= Grid point 63 (48/580) =======================q-point: ( 0.44 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.181 ( 1.599 15.793 2.355) 16.047 4.507 ( 12.342 10.347 4.504) 16.723 5.610 ( 7.680 1.238 -12.841) 15.013 6.466 ( 3.911 17.166 -1.899) 17.708 7.202 ( 1.721 20.371 6.335) 21.402 9.181 ( -6.555 18.096 -1.284) 19.290 9.596 ( 9.965 16.128 1.968) 19.060 10.044 ( 17.046 -7.613 -1.119) 18.702 11.482 ( 2.344 19.521 -0.906) 19.682 12.307 ( -1.095 -13.782 -9.671) 16.872 13.045 ( -10.076 -14.369 10.352) 20.376 16.076 ( -11.845 -17.644 -5.392) 21.924======================= Grid point 64 (49/580) =======================q-point: ( 0.50 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.335 ( -2.583 15.640 1.328) 15.907 4.784 ( 9.054 4.657 2.678) 10.528 5.723 ( 10.386 -0.375 -15.729) 18.852 6.565 ( -2.625 2.165 5.408) 6.390 7.444 ( -8.252 33.716 3.684) 34.906 9.248 ( -2.215 13.578 -1.099) 13.801 9.892 ( 6.251 12.224 1.581) 13.820 10.218 ( 10.975 -6.669 -1.254) 12.903 11.629 ( -8.444 17.521 0.765) 19.464 12.175 ( 5.505 -13.895 -5.385) 15.886 12.855 ( -2.414 -6.320 4.398) 8.069 15.729 ( -6.239 -16.913 -2.549) 18.207======================= Grid point 65 (50/580) =======================q-point: ( 0.56 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.408 ( -6.697 14.504 0.067) 15.976 4.911 ( 3.063 -1.126 -0.384) 3.286 5.874 ( 12.240 0.546 -15.534) 19.785 6.505 ( -4.546 -4.748 11.920) 13.613 7.580 ( -18.597 38.106 0.711) 42.408 9.346 ( -0.560 8.517 -0.983) 8.592 10.035 ( -0.598 6.224 0.783) 6.302 10.304 ( 6.206 -4.859 -0.118) 7.883 11.583 ( -14.703 18.499 1.370) 23.670 12.173 ( 10.874 -15.235 -1.842) 18.808 12.822 ( 0.948 -2.669 0.140) 2.835 15.536 ( 2.427 -13.057 -0.011) 13.280======================= Grid point 66 (51/580) =======================q-point: (-0.39 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.392 ( -9.957 11.405 -0.952) 15.170 4.872 ( -4.141 -3.054 -3.070) 5.991 6.023 ( 8.730 -2.631 -10.934) 14.236 6.436 ( -0.918 -4.013 12.773) 13.420 7.559 ( -26.052 34.803 -0.780) 43.480 9.348 ( -6.318 4.632 -0.782) 7.873 10.032 ( -5.671 3.046 0.570) 6.462 10.319 ( 2.220 -6.912 0.819) 7.306 11.573 ( -10.106 22.297 0.633) 24.489 12.212 ( 11.296 -14.980 0.820) 18.780 12.781 ( -1.424 -4.407 -2.570) 5.297 15.568 ( 12.699 -7.372 2.105) 14.834======================= Grid point 67 (52/580) =======================q-point: (-0.33 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.292 ( -11.925 7.467 -1.313) 14.131 4.698 ( -11.158 -2.930 -3.545) 12.069 6.007 ( -1.630 -7.789 -0.137) 7.959 6.495 ( 4.531 0.647 4.523) 6.435 7.367 ( -29.863 24.801 -1.589) 38.852 9.266 ( -8.991 8.463 0.309) 12.351 9.871 ( -14.168 -0.648 0.099) 14.183 10.253 ( -0.011 -12.086 1.064) 12.132 11.625 ( -11.285 19.490 0.419) 22.525 12.288 ( 13.171 -10.705 1.704) 17.058 12.714 ( 1.701 -3.803 -4.479) 6.117 15.822 ( 20.649 -2.688 3.614) 21.134======================= Grid point 68 (53/580) =======================q-point: (-0.28 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.126 ( -13.605 4.291 -0.951) 14.297 4.414 ( -16.731 -3.450 -2.442) 17.257 5.856 ( -7.910 -5.930 3.045) 10.344 6.512 ( -10.461 3.534 1.633) 11.161 7.067 ( -20.296 9.587 -2.212) 22.555 9.217 ( -11.783 13.693 1.285) 18.111 9.565 ( -18.908 -1.618 -0.165) 18.977 10.068 ( -2.655 -18.263 0.491) 18.462 11.508 ( -18.711 10.138 0.821) 21.297 12.512 ( 19.901 -2.223 0.409) 20.029 12.774 ( 9.162 -1.089 -4.247) 10.158 16.217 ( 24.376 -0.006 4.009) 24.703======================= Grid point 69 (54/580) =======================q-point: (-0.22 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.895 ( -16.907 1.764 -0.265) 17.001 4.052 ( -20.224 -2.940 -0.989) 20.460 5.634 ( -13.947 -2.614 1.838) 14.308 6.133 ( -34.493 3.484 0.223) 34.669 6.940 ( -1.591 0.227 -0.856) 1.820 8.973 ( -31.626 4.802 0.810) 31.999 9.211 ( -19.811 -1.094 -0.151) 19.842 9.952 ( 8.637 -8.665 0.225) 12.237 11.259 ( -16.719 4.157 0.309) 17.231 12.900 ( 24.124 -0.734 6.285) 24.940 12.951 ( 12.885 1.656 -8.859) 15.724 16.660 ( 24.377 0.810 2.844) 24.556======================= Grid point 70 (55/580) =======================q-point: (-0.17 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.548 ( -24.280 -0.000 0.000) 24.280 3.680 ( -21.043 -0.000 0.000) 21.043 5.326 ( -20.736 -0.000 0.000) 20.736 5.516 ( -36.658 -0.000 0.000) 36.658 6.938 ( 0.730 0.000 -0.000) 0.730 8.274 ( -48.867 -0.000 0.000) 48.867 8.874 ( -18.245 -0.000 0.000) 18.245 10.149 ( 16.057 0.000 -0.000) 16.057 11.047 ( -9.928 -0.000 0.000) 9.928 13.156 ( 12.114 0.000 -0.000) 12.114 13.368 ( 27.769 0.000 -0.000) 27.769 17.070 ( 21.538 0.000 -0.000) 21.538======================= Grid point 77 (56/580) =======================q-point: ( 0.22 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.132 ( 0.000 21.121 8.348) 22.711 3.256 ( 0.000 28.843 16.827) 33.393 4.527 ( -0.000 22.005 -4.449) 22.451 4.806 ( 0.000 31.090 5.448) 31.564 6.627 ( -0.000 22.397 -14.436) 26.646 7.183 ( 0.000 37.802 4.668) 38.089 8.456 ( 0.000 13.825 -0.050) 13.825 10.594 ( -0.000 -10.552 -2.428) 10.828 10.810 ( -0.000 -4.335 -0.387) 4.353 12.888 ( -0.000 -9.985 -24.783) 26.719 14.392 ( 0.000 -28.454 17.544) 33.428 17.500 ( -0.000 -8.744 -9.412) 12.847======================= Grid point 78 (57/580) =======================q-point: ( 0.28 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.375 ( 4.121 16.751 6.284) 18.359 3.595 ( 2.662 23.941 13.257) 27.495 4.865 ( 12.796 25.676 -3.163) 28.862 5.127 ( 2.512 24.503 1.851) 24.701 6.727 ( 2.004 6.553 -12.087) 13.894 7.732 ( 8.860 48.480 4.267) 49.467 8.643 ( 4.448 15.841 0.438) 16.460 10.423 ( -7.326 -9.031 -2.314) 11.857 10.825 ( 5.602 -1.586 -0.487) 5.843 12.718 ( 0.574 -11.719 -20.919) 23.985 14.119 ( -4.778 -27.743 16.261) 32.511 17.315 ( -6.753 -11.270 -8.484) 15.639======================= Grid point 79 (58/580) =======================q-point: ( 0.33 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.651 ( 8.117 14.300 4.080) 16.942 3.900 ( 4.162 18.410 10.479) 21.588 5.363 ( 1.726 15.478 -4.361) 16.173 5.431 ( 20.771 28.649 -2.425) 35.469 6.809 ( 3.801 6.452 -5.493) 9.288 8.401 ( 15.470 38.706 2.671) 41.769 8.922 ( 7.823 17.735 1.390) 19.433 10.170 ( -11.506 -6.406 -2.297) 13.368 10.970 ( 9.385 5.005 -0.767) 10.664 12.541 ( -0.162 -13.062 -17.136) 21.548 13.784 ( -8.085 -25.818 14.812) 30.844 16.996 ( -12.404 -13.877 -7.722) 20.151======================= Grid point 80 (59/580) =======================q-point: ( 0.39 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.962 ( 10.203 13.517 2.852) 17.174 4.174 ( 5.850 13.886 8.396) 17.249 5.471 ( 0.834 7.127 -10.410) 12.643 6.073 ( 19.438 27.760 -3.182) 34.038 6.973 ( 7.073 9.938 2.525) 12.457 9.014 ( 17.638 24.251 1.015) 30.004 9.261 ( 9.293 18.470 2.331) 20.808 9.907 ( -12.278 -2.256 -2.224) 12.680 11.238 ( 11.055 13.065 -1.380) 17.170 12.349 ( -1.143 -13.526 -13.589) 19.208 13.425 ( -9.902 -22.847 12.815) 28.004 16.578 ( -15.563 -16.189 -6.700) 23.434======================= Grid point 81 (60/580) =======================q-point: ( 0.44 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.266 ( 7.466 13.546 3.423) 15.841 4.441 ( 8.808 10.422 5.176) 14.595 5.495 ( 2.115 1.116 -13.626) 13.835 6.530 ( 6.864 16.025 -1.672) 17.513 7.311 ( 12.688 21.547 6.188) 25.759 9.464 ( 7.475 16.848 -0.408) 18.436 9.604 ( 8.310 17.028 2.100) 19.064 9.734 ( -0.611 -2.697 -1.357) 3.080 11.572 ( 8.634 18.445 -2.375) 20.504 12.159 ( -0.898 -13.025 -9.674) 16.250 13.081 ( -9.294 -18.558 10.178) 23.116 16.118 ( -15.300 -17.724 -5.222) 23.990======================= Grid point 82 (61/580) =======================q-point: ( 0.50 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.500 ( 2.604 13.859 3.996) 14.657 4.697 ( 8.333 6.702 1.620) 10.816 5.514 ( 6.417 -1.957 -14.281) 15.778 6.649 ( -2.592 3.419 4.010) 5.873 7.804 ( 8.226 32.865 3.619) 34.072 9.519 ( -11.575 16.153 -1.372) 19.920 9.888 ( 17.724 -5.574 -1.341) 18.628 9.917 ( 7.108 12.853 2.629) 14.921 11.806 ( 2.118 6.250 -4.915) 8.228 12.036 ( -1.004 -1.530 -3.297) 3.771 12.833 ( -3.482 -11.836 6.601) 13.993 15.692 ( -11.125 -17.790 -3.346) 21.247======================= Grid point 83 (62/580) =======================q-point: ( 0.56 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.653 ( -3.184 14.832 1.946) 15.294 4.839 ( 4.094 0.301 -0.093) 4.106 5.615 ( 11.925 -1.442 -13.106) 17.778 6.586 ( -6.022 -2.901 8.152) 10.542 8.200 ( -5.602 38.120 1.156) 38.547 9.490 ( -6.630 10.154 -1.008) 12.168 10.082 ( 9.941 -2.856 -0.833) 10.376 10.129 ( 3.705 7.909 1.892) 8.936 11.784 ( 7.661 -16.866 -4.158) 18.986 12.021 ( -10.648 14.905 1.241) 18.360 12.775 ( 2.418 -3.604 1.808) 4.702 15.389 ( -2.955 -15.434 -1.283) 15.767======================= Grid point 84 (63/580) =======================q-point: (-0.39 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.667 ( -9.403 9.732 -1.623) 13.629 4.884 ( 0.776 0.671 0.404) 1.102 5.783 ( 12.204 -1.814 -10.884) 16.453 6.473 ( -4.606 -4.560 9.857) 11.797 8.341 ( -21.570 35.770 -0.248) 41.771 9.479 ( -3.354 5.722 -0.961) 6.702 10.161 ( -0.712 2.226 -0.180) 2.344 10.202 ( 0.648 -1.595 1.507) 2.288 11.779 ( 14.252 -19.275 -1.755) 24.036 12.000 ( -10.242 18.025 2.721) 20.909 12.766 ( -1.346 -3.045 -1.771) 3.771 15.299 ( 7.940 -10.357 0.615) 13.065======================= Grid point 85 (64/580) =======================q-point: (-0.33 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.546 ( -10.938 3.936 -2.082) 11.810 4.852 ( -7.260 2.743 -0.536) 7.780 5.890 ( 6.267 -4.889 -5.060) 9.422 6.439 ( 1.989 -1.603 6.296) 6.794 8.163 ( -32.449 23.370 -0.613) 39.994 9.489 ( -4.759 11.234 -0.895) 12.233 10.087 ( -9.727 0.945 0.016) 9.773 10.135 ( -1.211 -11.611 1.524) 11.772 11.894 ( 17.110 -10.798 -0.936) 20.254 12.034 ( -9.535 17.786 3.659) 20.509 12.655 ( -2.892 -7.238 -3.745) 8.647 15.455 ( 17.764 -4.758 1.716) 18.470======================= Grid point 86 (65/580) =======================q-point: (-0.28 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.371 ( -11.729 1.550 -1.073) 11.879 4.674 ( -14.853 0.887 -0.838) 14.903 5.884 ( -0.540 -3.726 0.153) 3.768 6.520 ( 5.192 0.188 1.383) 5.376 7.716 ( -36.689 9.408 -0.544) 37.880 9.537 ( -6.734 18.052 -0.333) 19.270 9.860 ( -16.112 -0.356 0.003) 16.116 9.939 ( -3.692 -19.216 0.967) 19.591 11.944 ( -19.018 9.004 2.008) 21.137 12.144 ( 19.407 -2.659 -0.653) 19.599 12.602 ( 6.419 -4.248 -2.390) 8.060 15.798 ( 23.742 -1.169 1.549) 23.821======================= Grid point 87 (66/580) =======================q-point: (-0.22 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.163 ( -13.354 -0.000 0.000) 13.354 4.378 ( -18.897 -0.000 0.000) 18.897 5.803 ( -6.946 -0.000 0.000) 6.946 6.549 ( -6.732 -0.000 0.000) 6.732 7.162 ( -27.786 -0.000 0.000) 27.786 9.470 ( -19.757 -0.000 0.000) 19.757 9.547 ( -19.199 -0.000 0.000) 19.199 9.775 ( 3.744 0.000 -0.000) 3.744 11.621 ( -21.519 -0.000 0.000) 21.519 12.493 ( 22.328 0.000 -0.000) 22.328 12.743 ( 11.035 0.000 -0.000) 11.035 16.229 ( 25.718 0.000 -0.000) 25.718======================= Grid point 96 (67/580) =======================q-point: ( 0.28 0.28 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.489 ( 0.000 11.713 3.916) 12.350 3.847 ( 0.000 21.153 12.302) 24.470 4.989 ( -0.000 25.229 -2.578) 25.361 5.341 ( -0.000 20.560 -2.156) 20.672 6.742 ( -0.000 6.698 -8.991) 11.212 8.128 ( 0.000 42.128 3.182) 42.248 8.769 ( 0.000 17.207 0.280) 17.209 10.446 ( -0.000 -0.786 -1.391) 1.597 10.729 ( -0.000 -3.579 -0.289) 3.591 12.541 ( -0.000 -10.834 -18.176) 21.160 13.926 ( 0.000 -27.551 13.666) 30.754 17.230 ( -0.000 -13.206 -6.888) 14.895======================= Grid point 97 (68/580) =======================q-point: ( 0.33 0.28 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.651 ( 5.797 9.284 2.311) 11.187 4.072 ( 0.517 16.408 10.311) 19.385 5.363 ( 14.112 24.035 -2.131) 27.953 5.494 ( 0.040 14.118 -8.597) 16.530 6.817 ( 2.166 8.484 -2.846) 9.207 8.555 ( 6.849 28.644 1.782) 29.505 8.992 ( 5.022 18.295 0.694) 18.984 10.353 ( -11.112 4.178 -0.824) 11.900 10.822 ( 11.066 2.133 -0.070) 11.270 12.387 ( -0.732 -9.209 -14.818) 17.462 13.663 ( -3.559 -26.116 11.411) 28.722 17.006 ( -7.270 -15.113 -5.861) 17.765======================= Grid point 98 (69/580) =======================q-point: ( 0.39 0.28 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.892 ( 10.872 8.723 1.634) 14.034 4.264 ( 2.158 11.984 8.680) 14.953 5.513 ( -1.693 5.645 -13.984) 15.175 5.960 ( 22.433 25.036 -2.204) 33.688 6.968 ( 5.087 9.230 3.575) 11.129 8.930 ( 11.862 13.279 0.061) 17.805 9.298 ( 8.259 18.380 1.703) 20.222 10.188 ( -14.093 8.362 -1.003) 16.418 11.115 ( 15.301 9.546 0.013) 18.035 12.236 ( -2.887 -6.922 -11.601) 13.814 13.362 ( -5.932 -23.549 9.354) 26.023 16.651 ( -13.181 -16.536 -5.070) 21.745======================= Grid point 99 (70/580) =======================q-point: ( 0.44 0.28 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.201 ( 13.462 9.184 1.912) 16.409 4.443 ( 4.268 8.365 6.554) 11.452 5.467 ( -1.865 1.223 -15.246) 15.409 6.532 ( 13.876 19.838 -1.724) 24.271 7.243 ( 15.396 12.379 6.674) 20.852 9.234 ( 15.236 1.597 -1.124) 15.361 9.633 ( 8.740 17.025 2.529) 19.303 10.040 ( -14.606 12.472 -1.439) 19.260 11.516 ( 16.947 13.860 -0.543) 21.900 12.071 ( -5.491 -5.880 -8.703) 11.851 13.057 ( -6.941 -19.630 7.547) 22.146 16.209 ( -16.349 -17.063 -4.253) 24.011======================= Grid point 100 (71/580) =======================q-point: ( 0.50 0.28 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.523 ( 10.323 9.441 4.974) 14.847 4.625 ( 7.702 6.065 1.306) 9.890 5.399 ( -0.164 -1.551 -13.759) 13.847 6.753 ( -1.914 7.335 2.759) 8.067 7.808 ( 24.535 22.511 3.750) 33.508 9.497 ( 17.117 -3.868 -1.240) 17.592 9.912 ( -9.342 13.771 -0.904) 16.666 9.947 ( 2.912 13.851 1.913) 14.282 11.837 ( -7.913 0.390 -6.964) 10.548 11.971 ( 14.546 7.096 -0.825) 16.205 12.795 ( -5.481 -14.322 6.194) 16.539 15.746 ( -15.764 -16.353 -3.263) 22.947======================= Grid point 101 (72/580) =======================q-point: ( 0.56 0.28 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.736 ( 5.753 3.765 5.410) 8.749 4.831 ( 4.109 10.023 -1.534) 10.940 5.380 ( 6.608 -3.462 -11.419) 13.640 6.710 ( -7.461 0.343 5.150) 9.072 8.449 ( 17.036 28.556 1.673) 33.293 9.683 ( 3.550 -4.056 -1.574) 5.615 9.867 ( -0.198 9.464 -0.420) 9.475 10.186 ( 5.618 11.932 2.195) 13.370 11.579 ( -7.459 -14.691 -4.794) 17.160 12.276 ( 1.983 15.096 -1.139) 15.269 12.663 ( 3.309 -8.213 4.381) 9.879 15.349 ( -10.561 -14.144 -2.014) 17.767======================= Grid point 102 (73/580) =======================q-point: ( 0.61 0.28 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.816 ( -0.297 -1.101 -1.823) 2.150 4.934 ( -2.253 10.952 3.269) 11.649 5.505 ( 13.700 -2.995 -8.481) 16.389 6.572 ( -8.179 -2.421 5.557) 10.181 8.908 ( -1.439 30.886 0.446) 30.923 9.579 ( -5.694 -1.697 -1.113) 6.045 10.007 ( 7.109 -2.776 0.199) 7.634 10.384 ( -1.846 16.379 1.563) 16.557 11.329 ( 6.062 -24.538 -2.583) 25.407 12.332 ( -7.622 12.683 1.551) 14.878 12.726 ( 3.960 -2.055 -0.264) 4.470 15.123 ( -0.328 -9.914 -0.562) 9.935======================= Grid point 103 (74/580) =======================q-point: (-0.33 0.28 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.723 ( -7.718 0.025 -1.705) 7.904 4.987 ( -3.244 5.045 1.542) 6.193 5.684 ( 11.409 -2.340 -4.343) 12.430 6.451 ( -3.915 -1.668 3.704) 5.642 8.889 ( -27.424 15.785 -0.193) 31.643 9.596 ( 4.769 6.628 -0.645) 8.191 10.013 ( 0.126 -8.615 0.389) 8.625 10.350 ( -15.063 6.725 0.592) 16.506 11.400 ( 23.641 -13.311 -0.518) 27.136 12.355 ( -4.969 13.304 2.761) 14.467 12.659 ( -6.762 -6.151 -2.731) 9.540 15.152 ( 11.522 -4.149 0.367) 12.251======================= Grid point 104 (75/580) =======================q-point: (-0.28 0.28 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.564 ( -10.140 -0.000 0.000) 10.140 4.901 ( -9.826 -0.000 0.000) 9.826 5.816 ( 5.921 0.000 -0.000) 5.921 6.443 ( 2.885 0.000 -0.000) 2.885 8.402 ( -35.602 -0.000 0.000) 35.602 9.737 ( 2.149 0.000 -0.000) 2.149 9.872 ( -6.722 -0.000 0.000) 6.722 10.117 ( -14.166 -0.000 0.000) 14.166 11.754 ( 22.414 0.000 -0.000) 22.414 12.351 ( -18.016 -0.000 0.000) 18.016 12.467 ( 3.876 0.000 -0.000) 3.876 15.411 ( 19.699 0.000 -0.000) 19.699======================= Grid point 115 (76/580) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.679 ( 0.000 6.517 0.838) 6.571 4.245 ( 0.000 12.493 8.983) 15.387 5.457 ( 0.000 21.971 -1.199) 22.004 5.568 ( -0.000 7.463 -14.659) 16.449 6.890 ( 0.000 10.165 1.690) 10.305 8.730 ( 0.000 17.082 0.395) 17.086 9.130 ( 0.000 18.371 0.105) 18.372 10.603 ( 0.000 15.018 0.931) 15.047 10.665 ( -0.000 -2.831 0.151) 2.835 12.295 ( -0.000 -2.721 -11.514) 11.832 13.466 ( 0.000 -25.060 8.516) 26.468 16.897 ( -0.000 -16.410 -4.584) 17.038======================= Grid point 116 (77/580) =======================q-point: ( 0.39 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.801 ( 7.212 5.364 0.253) 8.992 4.376 ( 0.214 8.826 7.646) 11.679 5.540 ( -1.855 2.805 -17.010) 17.339 5.823 ( 17.005 19.577 -1.764) 25.992 7.016 ( 1.606 9.146 5.314) 10.699 8.896 ( 4.599 8.448 -1.091) 9.680 9.360 ( 5.453 17.807 0.356) 18.626 10.485 ( -11.325 5.079 0.141) 12.412 10.937 ( 14.154 7.803 1.561) 16.238 12.252 ( -3.279 4.933 -8.356) 10.242 13.226 ( -2.515 -22.648 6.234) 23.624 16.652 ( -7.396 -17.068 -3.733) 18.973======================= Grid point 117 (78/580) =======================q-point: ( 0.44 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.035 ( 13.379 5.213 0.447) 14.366 4.485 ( 1.667 5.898 6.160) 8.690 5.465 ( -2.147 0.101 -16.188) 16.330 6.391 ( 24.546 19.360 -1.880) 31.318 7.155 ( 5.152 4.696 7.016) 9.891 9.058 ( 7.961 3.653 -1.829) 8.948 9.657 ( 8.254 16.024 1.178) 18.063 10.351 ( -10.596 6.097 -0.780) 12.250 11.284 ( 18.551 4.384 1.696) 19.137 12.204 ( -8.987 9.665 -6.172) 14.569 12.979 ( -3.893 -18.241 4.653) 19.223 16.291 ( -13.231 -16.453 -3.084) 21.337======================= Grid point 118 (79/580) =======================q-point: ( 0.50 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.356 ( 16.852 5.453 1.200) 17.753 4.590 ( 3.316 3.430 3.787) 6.091 5.379 ( -2.357 -0.695 -12.473) 12.713 6.856 ( 4.176 13.075 0.521) 13.736 7.472 ( 28.715 6.173 4.486) 29.712 9.239 ( 10.755 1.383 -1.416) 10.936 9.943 ( 7.647 11.706 1.700) 14.085 10.233 ( -10.384 7.217 -1.465) 12.730 11.679 ( 22.567 1.765 1.259) 22.671 12.068 ( -15.083 7.548 -5.026) 17.599 12.771 ( -4.385 -10.993 3.707) 12.402 15.869 ( -16.331 -14.178 -2.450) 21.765======================= Grid point 119 (80/580) =======================q-point: ( 0.56 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.678 ( 5.994 1.742 5.408) 8.259 4.726 ( 15.381 5.709 -2.028) 16.531 5.295 ( -2.335 -1.604 -8.546) 9.003 6.875 ( -7.856 3.257 2.857) 8.972 8.185 ( 36.636 12.777 1.305) 38.822 9.438 ( 11.651 -1.336 -0.568) 11.741 10.123 ( -10.361 7.757 -0.859) 12.972 10.165 ( 7.587 6.734 1.017) 10.196 11.739 ( -19.500 -2.203 -2.509) 19.783 12.143 ( 21.625 4.196 -1.144) 22.058 12.632 ( -4.519 -3.883 3.196) 6.761 15.455 ( -15.826 -10.435 -1.689) 19.032======================= Grid point 120 (81/580) =======================q-point: ( 0.61 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.766 ( 3.759 -0.120 0.505) 3.795 5.047 ( 7.954 9.033 3.898) 12.651 5.234 ( 5.029 -5.674 -7.387) 10.585 6.734 ( -10.233 -0.116 2.201) 10.468 8.900 ( 28.530 13.870 0.507) 31.727 9.551 ( 3.257 -5.654 -0.468) 6.542 10.023 ( -7.175 4.225 -0.106) 8.327 10.415 ( 14.173 8.337 0.870) 16.466 11.291 ( -23.401 -9.649 -1.789) 25.376 12.497 ( 6.669 7.205 -2.944) 10.250 12.567 ( 4.679 -3.875 3.979) 7.263 15.135 ( -10.354 -5.651 -0.731) 11.818======================= Grid point 121 (82/580) =======================q-point: (-0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.796 ( -0.945 -0.000 0.000) 0.945 5.076 ( -4.120 -0.000 0.000) 4.120 5.429 ( 15.747 0.000 -0.000) 15.747 6.563 ( -8.912 -0.000 0.000) 8.912 9.379 ( -17.122 -0.000 0.000) 17.122 9.405 ( 18.280 0.000 -0.000) 18.280 9.978 ( -0.534 -0.000 0.000) 0.534 10.767 ( -25.177 -0.000 0.000) 25.177 10.858 ( 26.575 0.000 -0.000) 26.575 12.481 ( -3.558 -0.000 0.000) 3.558 12.695 ( 1.944 0.000 -0.000) 1.944 15.017 ( 0.722 0.000 -0.000) 0.722======================= Grid point 134 (83/580) =======================q-point: ( 0.39 0.39 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.778 ( -0.000 3.610 -0.496) 3.644 4.467 ( 0.000 5.621 6.150) 8.332 5.518 ( -0.000 -0.523 -18.382) 18.390 5.828 ( 0.000 15.379 -0.532) 15.388 7.111 ( 0.000 8.027 6.178) 10.129 8.925 ( -0.000 6.003 -2.267) 6.417 9.480 ( 0.000 16.237 -0.464) 16.244 10.615 ( 0.000 -2.507 0.763) 2.620 10.875 ( 0.000 7.680 2.609) 8.111 12.370 ( -0.000 15.161 -5.429) 16.104 13.046 ( 0.000 -20.094 3.977) 20.484 16.536 ( -0.000 -16.961 -2.796) 17.190======================= Grid point 135 (84/580) =======================q-point: ( 0.44 0.39 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.880 ( 8.299 2.853 -0.430) 8.786 4.531 ( 0.483 3.387 4.672) 5.791 5.440 ( -1.196 -1.371 -15.190) 15.299 6.138 ( 19.359 12.489 -0.895) 23.055 7.191 ( -0.478 4.384 5.836) 7.315 8.999 ( 3.386 4.477 -2.665) 6.214 9.682 ( 5.735 13.656 -0.261) 14.813 10.527 ( -6.400 0.173 0.432) 6.417 11.042 ( 11.621 0.715 2.985) 12.019 12.470 ( -6.491 16.131 -4.071) 17.858 12.868 ( -1.289 -14.013 2.879) 14.363 16.303 ( -7.118 -15.237 -2.118) 16.951======================= Grid point 136 (85/580) =======================q-point: ( 0.50 0.39 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.112 ( 15.092 2.473 0.020) 15.294 4.585 ( 1.580 1.790 2.950) 3.795 5.370 ( -1.231 -0.848 -9.947) 10.059 6.704 ( 29.906 12.693 -1.686) 32.531 7.216 ( 1.024 -1.842 5.192) 5.604 9.116 ( 6.483 3.256 -1.891) 7.498 9.917 ( 7.364 8.759 0.388) 11.450 10.427 ( -6.903 2.817 -0.333) 7.463 11.306 ( 19.211 -1.760 2.336) 19.432 12.399 ( -13.500 6.397 -3.236) 15.286 12.760 ( -2.716 -3.091 2.121) 4.629 15.990 ( -12.639 -11.348 -1.516) 17.053======================= Grid point 137 (86/580) =======================q-point: ( 0.56 0.39 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.434 ( 19.046 1.829 0.419) 19.138 4.641 ( 2.744 0.651 1.076) 3.018 5.314 ( -2.273 -0.337 -4.578) 5.122 7.048 ( -6.073 5.144 0.617) 7.982 7.549 ( 41.718 0.735 1.275) 41.743 9.270 ( 8.696 1.526 -0.642) 8.852 10.091 ( 6.265 2.798 0.387) 6.873 10.334 ( -7.833 3.353 -0.397) 8.530 11.692 ( 25.363 -0.120 1.244) 25.394 12.134 ( -19.914 0.691 -2.067) 20.033 12.694 ( -4.059 0.089 1.122) 4.212 15.650 ( -15.832 -5.838 -0.834) 16.895======================= Grid point 138 (87/580) =======================q-point: (-0.39 -0.61 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.701 ( 3.701 0.000 -0.000) 3.701 4.789 ( 20.184 0.000 -0.000) 20.184 5.249 ( -4.208 -0.000 0.000) 4.208 6.917 ( -10.002 -0.000 0.000) 10.002 8.317 ( 42.617 0.000 -0.000) 42.617 9.426 ( 8.120 0.000 -0.000) 8.120 10.203 ( -9.426 -0.000 0.000) 9.426 10.230 ( 9.415 0.000 -0.000) 9.415 11.717 ( -26.623 -0.000 0.000) 26.623 12.154 ( 25.603 0.000 -0.000) 25.603 12.627 ( -4.174 -0.000 0.000) 4.174 15.341 ( -15.761 -0.000 0.000) 15.761======================= Grid point 154 (88/580) =======================q-point: ( 0.44 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.825 ( -0.000 1.627 -0.578) 1.727 4.563 ( 0.000 1.606 2.981) 3.386 5.390 ( -0.000 -1.921 -11.501) 11.660 6.057 ( 0.000 7.767 -0.207) 7.770 7.254 ( 0.000 3.150 4.106) 5.175 9.003 ( -0.000 3.601 -2.629) 4.459 9.747 ( -0.000 10.147 -0.736) 10.173 10.573 ( 0.000 -2.075 0.921) 2.270 10.954 ( 0.000 0.394 3.087) 3.112 12.624 ( -0.000 0.462 -2.885) 2.922 12.822 ( 0.000 4.581 1.882) 4.952 16.221 ( -0.000 -12.159 -1.373) 12.236======================= Grid point 155 (89/580) =======================q-point: ( 0.50 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.915 ( 8.888 0.899 -0.244) 8.937 4.585 ( 0.656 0.643 1.445) 1.712 5.347 ( -0.148 -0.890 -5.718) 5.789 6.303 ( 21.136 4.307 -0.312) 21.572 7.263 ( -2.578 0.818 2.246) 3.515 9.053 ( 3.326 2.016 -1.459) 4.153 9.874 ( 5.327 5.191 -0.291) 7.444 10.529 ( -3.261 -0.015 0.330) 3.278 11.044 ( 9.507 -0.946 1.877) 9.736 12.546 ( -3.919 -3.628 -1.221) 5.479 12.866 ( -4.823 6.947 0.565) 8.476 16.063 ( -6.668 -6.669 -0.711) 9.457======================= Grid point 156 (90/580) =======================q-point: (-0.44 -0.56 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.136 ( 15.700 0.000 -0.000) 15.700 4.609 ( 1.547 0.000 -0.000) 1.547 5.329 ( -0.678 -0.000 0.000) 0.678 6.840 ( 36.986 0.000 -0.000) 36.986 7.196 ( -5.712 -0.000 0.000) 5.712 9.147 ( 6.401 0.000 -0.000) 6.401 10.002 ( 6.113 0.000 -0.000) 6.113 10.461 ( -5.194 -0.000 0.000) 5.194 11.289 ( 19.427 0.000 -0.000) 19.427 12.409 ( -10.957 -0.000 0.000) 10.957 12.791 ( -6.478 -0.000 0.000) 6.478 15.864 ( -12.183 -0.000 0.000) 12.183======================= Grid point 175 (91/580) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 820Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.839 ( 0.000 0.000 0.000) 0.000 4.585 ( 0.000 0.000 0.000) 0.000 5.333 ( 0.000 0.000 0.000) 0.000 6.134 ( 0.000 0.000 0.000) 0.000 7.296 ( 0.000 0.000 0.000) 0.000 9.032 ( 0.000 0.000 0.000) 0.000 9.850 ( 0.000 0.000 0.000) 0.000 10.553 ( 0.000 0.000 0.000) 0.000 10.966 ( 0.000 0.000 0.000) 0.000 12.550 ( 0.000 0.000 0.000) 0.000 12.956 ( 0.000 0.000 0.000) 0.000 16.086 ( 0.000 0.000 0.000) 0.000======================= Grid point 350 (92/580) =======================q-point: ( 0.06 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 570Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.340 ( 0.000 -0.000 37.318) 37.318 0.340 ( 0.000 -0.000 37.318) 37.318 0.699 ( 0.000 -0.000 76.709) 76.709 3.827 ( -0.000 0.000 -2.588) 2.588 3.827 ( -0.000 0.000 -2.588) 2.588 7.976 ( 0.000 -0.000 0.184) 0.184 7.976 ( 0.000 -0.000 0.184) 0.184 8.935 ( -0.000 0.000 -8.889) 8.889 11.070 ( -0.000 0.000 -0.191) 0.191 11.070 ( -0.000 0.000 -0.191) 0.191 15.612 ( 0.000 -0.000 2.040) 2.040 17.812 ( -0.000 0.000 -0.357) 0.357======================= Grid point 351 (93/580) =======================q-point: ( 0.11 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.895 ( 31.228 18.030 14.040) 38.696 0.992 ( 21.849 12.615 38.057) 45.660 1.766 ( 58.916 34.015 29.211) 74.036 3.860 ( 3.656 2.111 -3.346) 5.387 4.032 ( 18.544 10.707 -3.550) 21.705 7.123 ( -5.189 -2.996 3.224) 6.804 8.012 ( 2.693 1.555 0.865) 3.228 11.046 ( -1.963 -1.133 -0.366) 2.295 11.046 ( -1.624 -0.938 -1.229) 2.242 13.052 ( 59.229 34.196 -121.006) 138.996 15.566 ( -8.300 -4.792 9.802) 13.709 17.760 ( -1.628 -0.940 -11.423) 11.577======================= Grid point 352 (94/580) =======================q-point: ( 0.17 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.635 ( 25.554 14.754 24.439) 38.314 1.670 ( 32.256 18.623 7.524) 37.998 3.135 ( 50.733 29.291 19.319) 61.685 3.979 ( 7.726 4.461 -3.889) 9.732 4.665 ( 37.694 21.762 -4.297) 43.736 7.043 ( -2.569 -1.483 -3.261) 4.408 8.107 ( 5.282 3.050 1.298) 6.236 10.972 ( -4.735 -2.734 -1.586) 5.693 10.982 ( -3.311 -1.912 -0.485) 3.854 13.432 ( 9.557 5.518 -48.981) 50.209 15.291 ( -18.471 -10.664 18.919) 28.509 17.669 ( -2.759 -1.593 -18.150) 18.428======================= Grid point 353 (95/580) =======================q-point: ( 0.22 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.308 ( 27.643 15.959 13.682) 34.728 2.394 ( 28.324 16.353 5.001) 33.085 4.161 ( 34.518 19.929 13.640) 42.127 4.201 ( 12.797 7.388 -3.961) 15.298 5.712 ( 51.760 29.884 -4.038) 59.903 6.985 ( -0.981 -0.566 -4.433) 4.576 8.265 ( 8.181 4.723 1.388) 9.548 10.811 ( -8.616 -4.974 -2.374) 10.228 10.897 ( -3.781 -2.183 -0.499) 4.395 13.403 ( -0.669 -0.386 -27.654) 27.665 14.863 ( -23.624 -13.639 22.958) 35.653 17.507 ( -6.511 -3.759 -19.748) 21.131======================= Grid point 354 (96/580) =======================q-point: ( 0.28 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.978 ( 20.875 12.052 3.043) 24.296 2.983 ( 27.978 16.153 6.749) 33.004 4.550 ( 18.313 10.573 -3.265) 21.396 4.861 ( 24.086 13.906 8.519) 29.088 6.766 ( 24.805 14.321 -13.747) 31.771 7.114 ( 26.910 15.536 5.996) 31.646 8.493 ( 11.241 6.490 1.156) 13.031 10.584 ( -9.372 -5.411 -2.796) 11.177 10.811 ( -3.449 -1.991 -0.366) 3.999 13.261 ( -5.245 -3.028 -19.292) 20.221 14.364 ( -25.529 -14.739 24.079) 38.063 17.251 ( -10.479 -6.050 -18.338) 21.970======================= Grid point 355 (97/580) =======================q-point: ( 0.33 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.376 ( 13.523 7.807 1.257) 15.665 3.625 ( 26.137 15.090 3.370) 30.368 5.000 ( 20.661 11.928 -2.138) 23.952 5.340 ( 16.417 9.478 2.394) 19.107 6.918 ( 3.745 2.162 -7.186) 8.387 8.007 ( 34.448 19.889 1.249) 39.797 8.787 ( 13.940 8.048 0.688) 16.111 10.441 ( -0.189 -0.109 -1.630) 1.644 10.739 ( -2.799 -1.616 -0.069) 3.232 13.049 ( -8.324 -4.806 -15.809) 18.502 13.849 ( -24.840 -14.341 22.149) 36.239 16.926 ( -13.092 -7.559 -14.715) 21.097======================= Grid point 356 (98/580) =======================q-point: ( 0.39 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.629 ( 8.642 4.989 0.109) 9.979 4.192 ( 21.932 12.662 2.837) 25.483 5.450 ( 18.125 10.465 -1.262) 20.967 5.654 ( 11.879 6.858 -5.667) 14.841 6.955 ( -0.369 -0.213 -0.832) 0.934 8.559 ( 14.731 8.505 -1.574) 17.082 9.130 ( 15.376 8.877 0.099) 17.755 10.621 ( 14.254 8.230 0.960) 16.487 10.679 ( -2.522 -1.456 0.352) 2.933 12.802 ( -8.697 -5.021 -12.396) 15.953 13.376 ( -20.588 -11.886 16.110) 28.717 16.574 ( -13.911 -8.032 -9.819) 18.827======================= Grid point 357 (99/580) =======================q-point: ( 0.44 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.788 ( 5.355 3.092 -0.422) 6.198 4.640 ( 15.927 9.195 3.533) 18.727 5.806 ( 12.760 7.367 -0.678) 14.749 5.875 ( 10.084 5.822 -14.484) 18.584 6.871 ( -7.344 -4.240 6.254) 10.537 8.814 ( 10.279 5.935 -2.195) 12.071 9.479 ( 14.517 8.382 -0.467) 16.770 10.618 ( -3.023 -1.745 0.777) 3.576 10.917 ( 6.894 3.980 2.665) 8.395 12.622 ( -3.663 -2.115 -7.072) 8.241 13.042 ( -10.151 -5.861 7.325) 13.822 16.240 ( -12.739 -7.355 -5.018) 15.542======================= Grid point 358 (100/580) =======================q-point: ( 0.50 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.878 ( 2.667 1.540 -0.559) 3.130 4.934 ( 8.256 4.766 2.279) 9.801 6.027 ( 6.507 3.757 -0.211) 7.517 6.036 ( 8.893 5.134 -20.766) 23.166 6.699 ( -9.215 -5.320 13.915) 17.517 9.049 ( 9.821 5.670 -1.978) 11.511 9.770 ( 10.240 5.912 -0.783) 11.850 10.544 ( -3.454 -1.994 0.967) 4.104 10.905 ( -6.371 -3.678 2.882) 7.901 12.546 ( -2.672 -1.543 -1.820) 3.582 12.996 ( 3.692 2.132 0.582) 4.303 15.981 ( -8.229 -4.751 -1.280) 9.588======================= Grid point 359 (101/580) =======================q-point: (-0.44 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.909 ( 0.136 0.079 -0.460) 0.487 5.008 ( -1.897 -1.095 -2.971) 3.691 6.104 ( 0.129 0.074 0.202) 0.250 6.201 ( 11.457 6.615 -18.721) 22.923 6.546 ( -8.537 -4.929 18.138) 20.643 9.184 ( 0.845 0.488 -0.959) 1.368 9.903 ( 0.395 0.228 -0.385) 0.597 10.492 ( -0.455 -0.262 0.445) 0.688 10.793 ( -1.273 -0.735 1.157) 1.870 12.514 ( 0.683 0.394 0.248) 0.826 13.063 ( -0.311 -0.179 -1.008) 1.070 15.890 ( 0.894 0.516 1.528) 1.844======================= Grid point 360 (102/580) =======================q-point: (-0.39 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.881 ( -2.439 -1.408 -0.210) 2.824 4.854 ( -9.439 -5.450 -6.299) 12.588 6.034 ( -6.260 -3.614 0.525) 7.248 6.319 ( -6.469 -3.735 -0.562) 7.490 6.519 ( 9.748 5.628 4.784) 12.231 9.078 ( -8.710 -5.029 1.146) 10.122 9.781 ( -10.058 -5.807 0.314) 11.618 10.531 ( 3.150 1.819 -0.385) 3.658 10.863 ( 5.076 2.931 -1.621) 6.081 12.586 ( 5.024 2.901 2.443) 6.294 12.960 ( -6.387 -3.687 -3.251) 8.060 16.034 ( 10.345 5.973 4.277) 12.688======================= Grid point 361 (103/580) =======================q-point: (-0.33 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.793 ( -5.271 -3.043 0.152) 6.089 4.558 ( -14.529 -8.388 -5.321) 17.600 5.819 ( -12.508 -7.221 0.716) 14.461 6.075 ( -13.790 -7.962 6.295) 17.122 6.791 ( 10.675 6.163 -1.693) 12.442 8.861 ( -9.854 -5.689 2.884) 11.738 9.486 ( -14.802 -8.546 0.334) 17.095 10.606 ( 3.169 1.830 -0.562) 3.702 10.872 ( -6.187 -3.572 -2.211) 7.478 12.746 ( 7.788 4.496 6.275) 10.966 12.880 ( 3.620 2.090 -9.920) 10.764 16.357 ( 15.403 8.893 7.200) 19.188======================= Grid point 362 (104/580) =======================q-point: (-0.28 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.634 ( -8.834 -5.100 0.634) 10.220 4.147 ( -20.308 -11.725 -2.100) 23.544 5.469 ( -17.778 -10.264 0.775) 20.542 5.739 ( -16.717 -9.652 3.770) 19.668 6.953 ( 3.724 2.150 -1.381) 4.516 8.603 ( -15.970 -9.220 3.186) 18.714 9.128 ( -15.833 -9.141 -0.051) 18.283 10.604 ( -12.632 -7.293 -0.809) 14.609 10.672 ( 2.812 1.623 -0.391) 3.270 13.014 ( 10.611 6.126 8.756) 15.059 13.057 ( 16.559 9.560 -16.251) 25.093 16.758 ( 16.696 9.639 9.548) 21.514======================= Grid point 363 (105/580) =======================q-point: (-0.22 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.377 ( -14.110 -8.146 1.338) 16.348 3.609 ( -26.210 -15.132 1.406) 30.298 5.027 ( -20.120 -11.617 0.690) 23.243 5.315 ( -20.994 -12.121 0.010) 24.242 6.984 ( 0.144 0.083 -0.507) 0.534 8.009 ( -37.219 -21.488 1.631) 43.007 8.775 ( -14.398 -8.313 -0.578) 16.636 10.463 ( 1.597 0.922 0.643) 1.952 10.738 ( 3.077 1.777 -0.139) 3.556 13.240 ( 9.840 5.681 -3.879) 12.006 13.514 ( 23.275 13.438 -5.111) 27.358 17.163 ( 15.353 8.864 10.356) 20.531======================= Grid point 364 (106/580) =======================q-point: (-0.17 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.959 ( -30.581 -17.656 4.021) 35.540 2.973 ( -21.788 -12.579 2.494) 25.282 4.584 ( -17.713 -10.226 0.357) 20.456 4.754 ( -27.675 -15.978 -2.717) 32.071 6.961 ( -46.603 -26.906 -5.269) 54.070 6.991 ( -4.168 -2.406 5.346) 7.193 8.472 ( -11.556 -6.672 -1.043) 13.385 10.618 ( 9.565 5.522 0.835) 11.076 10.815 ( 3.638 2.100 0.058) 4.201 13.450 ( 9.507 5.489 -5.074) 12.094 14.058 ( 24.497 14.143 -2.823) 28.427 17.509 ( 11.844 6.838 9.057) 16.403======================= Grid point 365 (107/580) =======================q-point: (-0.11 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.241 ( -32.795 -18.934 6.490) 38.420 2.389 ( -29.455 -17.006 4.310) 34.284 3.999 ( -37.903 -21.883 -3.554) 43.910 4.236 ( -12.405 -7.162 -0.236) 14.326 5.747 ( -51.629 -29.808 -0.233) 59.617 7.016 ( 1.701 0.982 -0.844) 2.138 8.240 ( -8.243 -4.759 -1.249) 9.600 10.837 ( 8.365 4.829 0.344) 9.665 10.903 ( 3.860 2.229 0.144) 4.459 13.646 ( 9.005 5.199 -7.052) 12.564 14.609 ( 23.206 13.398 0.880) 26.810 17.750 ( 6.911 3.990 5.478) 9.680======================= Grid point 366 (108/580) =======================q-point: (-0.06 0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.508 ( -32.745 -18.905 12.285) 39.756 1.668 ( -33.980 -19.618 7.260) 39.902 2.941 ( -53.685 -30.995 -1.430) 62.006 4.006 ( -7.543 -4.355 -0.959) 8.762 4.698 ( -37.425 -21.607 -0.692) 43.220 7.056 ( 1.912 1.104 -1.578) 2.714 8.084 ( -5.050 -2.916 -1.076) 5.930 10.987 ( 4.568 2.638 -0.011) 5.275 10.988 ( 3.294 1.902 0.111) 3.806 13.802 ( 6.743 3.893 -17.645) 19.286 15.114 ( 19.260 11.120 6.375) 23.135 17.858 ( 1.977 1.141 -0.586) 2.357======================= Grid point 369 (109/580) =======================q-point: ( 0.11 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.071 ( 0.000 35.241 23.017) 42.091 1.167 ( 0.000 30.740 35.073) 46.638 1.762 ( 0.000 59.113 34.909) 68.651 3.847 ( -0.000 4.127 -4.379) 6.017 4.022 ( -0.000 21.568 -4.239) 21.980 7.121 ( 0.000 -8.913 2.946) 9.388 7.995 ( -0.000 2.317 -0.274) 2.333 11.048 ( -0.000 -2.137 -0.211) 2.147 11.050 ( -0.000 -1.808 -0.841) 1.994 12.652 ( -0.000 85.758 -123.525) 150.375 15.592 ( 0.000 -7.961 8.723) 11.809 17.756 ( -0.000 -0.938 -9.911) 9.956======================= Grid point 370 (110/580) =======================q-point: ( 0.17 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.555 ( 10.190 30.658 23.510) 39.956 1.670 ( 11.036 31.246 24.820) 41.402 2.809 ( 35.434 48.770 22.863) 64.473 3.925 ( 4.320 6.988 -4.924) 9.579 4.432 ( 18.335 32.307 -5.115) 37.497 7.039 ( -1.331 -4.205 -3.510) 5.637 8.063 ( 3.899 3.667 0.327) 5.362 10.999 ( -2.626 -3.715 -1.457) 4.777 11.003 ( -1.842 -2.716 -0.395) 3.305 13.119 ( 16.055 21.180 -67.077) 72.150 15.443 ( -8.292 -15.484 16.229) 23.914 17.674 ( -3.959 0.491 -16.180) 16.664======================= Grid point 371 (111/580) =======================q-point: ( 0.22 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.140 ( 17.429 23.895 20.781) 36.146 2.283 ( 16.519 30.493 11.773) 36.624 3.866 ( 31.722 30.120 16.060) 46.599 4.113 ( 8.622 12.023 -4.546) 15.477 5.275 ( 37.079 41.577 -4.847) 55.919 6.972 ( -0.797 -2.193 -5.876) 6.322 8.199 ( 6.205 5.781 0.866) 8.525 10.865 ( -5.980 -7.168 -2.380) 9.633 10.937 ( -2.735 -1.969 -0.479) 3.404 13.250 ( 6.527 1.581 -37.648) 38.242 15.111 ( -15.866 -19.563 22.013) 33.452 17.530 ( -6.377 -1.070 -19.836) 20.863======================= Grid point 372 (112/580) =======================q-point: ( 0.28 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.743 ( 20.379 20.380 12.382) 31.368 2.877 ( 16.099 24.845 7.330) 30.499 4.414 ( 13.115 17.135 -4.110) 21.966 4.640 ( 23.619 19.510 10.554) 32.402 6.373 ( 39.298 35.748 -8.631) 53.821 6.981 ( 6.382 5.574 -1.168) 8.553 8.400 ( 8.657 8.167 1.057) 11.948 10.641 ( -8.181 -10.282 -3.135) 13.509 10.872 ( -3.423 0.299 -0.528) 3.476 13.195 ( 0.551 -4.829 -24.290) 24.772 14.663 ( -20.352 -20.500 24.183) 37.674 17.307 ( -9.322 -4.404 -19.573) 22.123======================= Grid point 373 (113/580) =======================q-point: ( 0.33 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.267 ( 14.122 15.427 4.375) 21.368 3.409 ( 19.129 20.304 6.316) 28.602 4.851 ( 15.745 21.348 -2.951) 26.690 5.176 ( 16.972 13.190 4.897) 22.045 6.829 ( 6.640 3.838 -11.284) 13.643 7.663 ( 35.049 31.825 3.637) 47.481 8.667 ( 11.116 10.471 0.964) 15.301 10.405 ( -4.088 -10.454 -2.793) 11.567 10.828 ( -3.861 4.124 -0.451) 5.667 13.038 ( -3.601 -7.833 -18.300) 20.229 14.162 ( -22.343 -19.635 23.082) 37.650 17.009 ( -11.485 -7.724 -16.418) 21.474======================= Grid point 374 (114/580) =======================q-point: ( 0.39 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.584 ( 6.964 12.198 1.451) 14.121 3.962 ( 21.029 15.698 4.262) 26.586 5.324 ( 14.716 19.625 -2.123) 24.621 5.534 ( 10.816 11.413 -2.620) 15.940 6.926 ( 3.885 2.393 -3.830) 5.957 8.416 ( 18.143 20.212 0.047) 27.161 8.993 ( 12.885 12.188 0.634) 17.747 10.358 ( 10.294 -6.830 -0.798) 12.380 10.832 ( -3.251 10.473 -0.007) 10.966 12.818 ( -5.810 -8.913 -14.695) 18.142 13.655 ( -21.704 -17.158 18.425) 33.241 16.671 ( -12.058 -10.207 -11.487) 19.533======================= Grid point 375 (115/580) =======================q-point: ( 0.44 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.783 ( 3.099 10.305 0.200) 10.763 4.450 ( 18.137 10.983 3.640) 21.514 5.676 ( 11.487 6.748 -8.407) 15.753 5.821 ( 6.538 20.431 -4.376) 21.893 6.953 ( -2.917 -0.168 3.563) 4.608 8.743 ( 6.500 10.924 -1.663) 12.819 9.346 ( 12.986 12.637 0.164) 18.121 10.505 ( 9.975 -7.547 0.296) 12.512 10.961 ( 1.721 16.061 1.580) 16.230 12.608 ( -3.244 -7.366 -10.233) 13.019 13.213 ( -16.352 -12.212 10.812) 23.096 16.333 ( -11.062 -11.403 -6.272) 17.080======================= Grid point 376 (116/580) =======================q-point: ( 0.50 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.906 ( 0.163 8.875 -0.400) 8.886 4.813 ( 12.320 6.010 2.913) 14.014 5.853 ( 9.470 3.077 -18.106) 20.663 6.097 ( 1.457 20.587 -1.222) 20.675 6.850 ( -8.902 -2.354 10.517) 13.978 8.957 ( 7.989 9.336 -1.908) 12.435 9.672 ( 10.417 10.915 -0.308) 15.092 10.525 ( 1.657 -6.246 0.427) 6.477 11.065 ( -7.435 8.044 2.847) 11.318 12.526 ( 1.726 -4.169 -4.409) 6.308 12.968 ( -3.020 -4.551 2.885) 6.177 16.040 ( -8.012 -10.582 -2.066) 13.432======================= Grid point 377 (117/580) =======================q-point: ( 0.56 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.965 ( -2.435 7.424 -0.612) 7.837 4.985 ( 3.014 -0.015 -1.231) 3.255 5.996 ( 10.568 4.010 -19.307) 22.372 6.263 ( -4.563 18.593 0.142) 19.145 6.698 ( -9.395 -3.563 15.133) 18.165 9.159 ( 4.953 6.133 -1.839) 8.095 9.887 ( 4.003 5.532 -0.405) 6.841 10.484 ( 0.137 -3.516 0.654) 3.579 10.942 ( -11.609 5.854 2.452) 13.231 12.501 ( 0.544 -2.186 -0.689) 2.356 12.993 ( 5.225 -2.789 -0.836) 5.981 15.864 ( -1.055 -6.735 0.863) 6.872======================= Grid point 378 (118/580) =======================q-point: (-0.39 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.966 ( -4.899 5.758 -0.560) 7.581 4.915 ( -5.961 -4.913 -5.956) 9.754 6.151 ( 4.087 3.222 -10.541) 11.755 6.344 ( -4.973 18.557 -5.815) 20.072 6.553 ( -6.322 -5.469 18.434) 20.241 9.179 ( -5.653 -0.435 -0.439) 5.687 9.895 ( -6.091 -0.611 0.087) 6.122 10.480 ( 2.150 -1.553 0.355) 2.676 10.907 ( -2.408 11.459 0.107) 11.710 12.529 ( 4.055 0.221 1.229) 4.243 12.972 ( -1.933 -7.468 -2.259) 8.038 15.901 ( 9.110 -0.939 3.261) 9.722======================= Grid point 379 (119/580) =======================q-point: (-0.33 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.907 ( -7.378 3.819 -0.289) 8.313 4.681 ( -11.190 -7.462 -6.333) 14.866 6.071 ( -13.052 3.001 -0.511) 13.403 6.252 ( -14.194 -0.245 1.669) 14.294 6.666 ( 10.147 6.757 2.950) 12.543 9.010 ( -10.551 -2.118 1.794) 10.910 9.682 ( -14.640 -4.218 0.327) 15.239 10.517 ( 3.880 -3.549 -0.142) 5.260 10.998 ( -3.711 11.026 -1.749) 11.765 12.648 ( 7.930 0.201 4.120) 8.939 12.831 ( -1.688 -4.746 -6.518) 8.238 16.158 ( 16.729 3.291 5.679) 17.971======================= Grid point 380 (120/580) =======================q-point: (-0.28 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.783 ( -10.204 1.553 0.210) 10.323 4.346 ( -16.091 -9.602 -3.788) 19.117 5.792 ( -21.423 1.202 1.597) 21.516 5.956 ( -17.361 -4.895 2.776) 18.250 6.881 ( 6.894 3.547 -1.379) 7.875 8.812 ( -12.690 -0.802 3.201) 13.112 9.346 ( -17.713 -5.755 0.154) 18.625 10.495 ( 1.078 -11.539 -0.399) 11.596 10.924 ( -13.233 8.411 -0.976) 15.710 12.821 ( 13.248 2.180 -8.202) 15.733 12.898 ( 9.825 3.500 2.178) 10.655 16.543 ( 19.744 5.159 7.590) 21.773======================= Grid point 381 (121/580) =======================q-point: (-0.22 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.578 ( -14.186 -1.370 1.015) 14.288 3.905 ( -22.276 -11.213 -0.043) 24.939 5.380 ( -26.516 -0.610 1.394) 26.559 5.574 ( -20.432 -7.865 1.127) 21.923 6.962 ( 1.887 -0.059 -2.094) 2.819 8.451 ( -29.424 -7.807 2.669) 30.558 8.981 ( -17.427 -5.624 -0.169) 18.313 10.370 ( 2.446 -10.549 0.050) 10.829 10.828 ( -6.867 8.824 -0.225) 11.184 13.067 ( 13.134 5.597 -17.142) 22.308 13.230 ( 20.867 6.057 9.007) 23.521 16.963 ( 19.351 5.381 8.062) 21.643======================= Grid point 382 (122/580) =======================q-point: (-0.17 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.242 ( -21.977 -7.855 2.613) 23.484 3.369 ( -27.160 -8.521 3.217) 28.647 4.903 ( -26.319 -2.056 0.544) 26.405 5.089 ( -25.884 -9.824 -0.615) 27.693 6.967 ( 0.692 -0.578 -2.953) 3.087 7.623 ( -50.216 -17.289 2.053) 53.149 8.645 ( -15.135 -4.428 -0.537) 15.779 10.452 ( 12.021 -1.056 0.370) 12.073 10.834 ( -1.500 5.745 -0.075) 5.938 13.286 ( 11.751 4.735 -13.108) 18.230 13.735 ( 25.756 8.029 5.440) 27.521 17.347 ( 16.386 4.255 6.440) 18.113======================= Grid point 383 (123/580) =======================q-point: (-0.11 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.654 ( -32.180 -13.553 6.425) 35.504 2.841 ( -30.316 -4.769 4.387) 31.000 4.452 ( -28.718 -7.455 0.377) 29.672 4.486 ( -26.374 -5.097 -1.630) 26.912 6.470 ( -58.164 -17.661 -2.122) 60.824 6.989 ( 1.035 -0.461 -0.098) 1.137 8.373 ( -11.847 -2.718 -0.747) 12.178 10.687 ( 12.848 1.786 -0.103) 12.972 10.880 ( 1.569 3.117 -0.024) 3.490 13.487 ( 10.782 4.236 -13.330) 17.660 14.288 ( 26.740 7.324 7.026) 28.602 17.636 ( 11.502 2.073 2.453) 11.942======================= Grid point 384 (124/580) =======================q-point: (-0.06 0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.966 ( -34.956 -11.508 11.329) 38.506 2.223 ( -36.908 -5.025 6.206) 37.762 3.662 ( -48.389 -8.731 2.445) 49.231 4.157 ( -13.796 -1.051 -1.643) 13.933 5.324 ( -53.793 -11.161 -1.470) 54.958 7.018 ( 2.388 0.379 -2.090) 3.196 8.179 ( -8.386 -0.924 -0.557) 8.455 10.893 ( 8.852 1.222 -0.552) 8.953 10.944 ( 3.159 1.161 -0.047) 3.366 13.647 ( 8.287 3.343 -20.012) 21.917 14.830 ( 25.250 4.758 11.183) 28.023 17.792 ( 5.761 -0.506 -3.996) 7.030======================= Grid point 388 (125/580) =======================q-point: ( 0.17 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.906 ( 0.000 35.213 17.819) 39.465 1.967 ( 0.000 29.458 32.635) 43.964 3.105 ( 0.000 55.058 20.029) 58.588 3.942 ( -0.000 8.748 -6.149) 10.693 4.642 ( -0.000 43.714 -5.317) 44.036 6.992 ( -0.000 -4.079 -5.429) 6.790 8.070 ( -0.000 5.620 -0.363) 5.632 10.971 ( -0.000 -5.629 -1.635) 5.861 10.986 ( -0.000 -3.798 -0.300) 3.810 13.006 ( -0.000 19.019 -58.235) 61.262 15.384 ( 0.000 -20.224 17.165) 26.526 17.672 ( -0.000 0.350 -16.407) 16.411======================= Grid point 389 (126/580) =======================q-point: ( 0.22 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.314 ( 3.662 30.409 22.381) 37.935 2.439 ( 8.136 31.417 19.000) 37.606 3.829 ( 17.241 39.932 15.450) 46.158 4.086 ( 6.784 12.840 -6.098) 15.751 5.261 ( 17.281 52.489 -5.248) 55.509 6.937 ( -0.188 -2.087 -6.878) 7.190 8.173 ( 4.159 7.460 0.046) 8.541 10.864 ( -3.754 -8.600 -2.468) 9.703 10.939 ( -0.665 -3.318 -0.403) 3.408 13.041 ( 5.801 4.358 -40.514) 41.158 15.153 ( -7.245 -24.180 20.245) 32.357 17.574 ( -5.205 -0.444 -18.017) 18.759======================= Grid point 390 (127/580) =======================q-point: ( 0.28 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.771 ( 9.174 25.994 17.490) 32.646 2.949 ( 10.311 27.966 11.850) 32.076 4.382 ( 11.650 20.701 -4.715) 24.218 4.520 ( 18.556 24.788 9.973) 32.531 6.170 ( 27.583 46.304 -8.103) 54.502 6.946 ( 3.946 6.402 -3.149) 8.153 8.357 ( 6.940 9.806 0.636) 12.030 10.655 ( -7.333 -11.899 -3.334) 14.369 10.905 ( -0.534 -0.771 -0.536) 1.081 13.020 ( 3.951 -4.861 -27.665) 28.365 14.791 ( -12.909 -25.474 22.225) 36.187 17.375 ( -9.248 -3.169 -18.137) 20.604======================= Grid point 391 (128/580) =======================q-point: ( 0.33 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.236 ( 11.865 21.003 9.911) 26.080 3.408 ( 10.183 22.833 8.784) 26.499 4.831 ( 13.748 25.953 -3.307) 29.555 5.051 ( 16.338 17.152 4.678) 24.145 6.712 ( 8.597 8.001 -13.501) 17.894 7.483 ( 28.167 39.845 4.780) 49.029 8.611 ( 9.190 12.467 1.139) 15.530 10.376 ( -7.728 -13.756 -3.527) 16.168 10.909 ( -0.455 3.833 -0.764) 3.935 12.914 ( 0.644 -9.683 -20.389) 22.580 14.350 ( -16.692 -24.579 21.968) 36.950 17.087 ( -11.935 -7.032 -16.094) 21.234======================= Grid point 392 (129/580) =======================q-point: ( 0.39 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.620 ( 7.551 16.887 4.133) 18.955 3.842 ( 13.947 18.482 7.242) 24.260 5.274 ( 11.322 16.182 -2.394) 19.894 5.495 ( 13.363 22.900 -2.395) 26.622 6.858 ( 6.330 5.177 -5.671) 9.951 8.339 ( 21.727 33.130 1.828) 39.661 8.926 ( 10.908 14.684 1.359) 18.343 10.156 ( 0.885 -12.365 -2.460) 12.638 10.969 ( -0.168 10.244 -0.847) 10.280 12.735 ( -2.133 -11.749 -16.237) 20.155 13.870 ( -18.645 -22.025 18.951) 34.523 16.738 ( -12.658 -10.876 -12.224) 20.687======================= Grid point 393 (130/580) =======================q-point: ( 0.44 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.872 ( 2.521 15.282 1.793) 15.592 4.286 ( 15.880 13.461 5.391) 21.504 5.523 ( 9.137 4.290 -8.518) 13.208 5.946 ( 8.228 29.061 -3.622) 30.420 6.993 ( 2.423 5.821 2.295) 6.710 8.806 ( 3.212 19.095 -0.696) 19.376 9.279 ( 11.545 15.653 1.300) 19.494 10.199 ( 14.637 -8.115 -0.749) 16.753 11.113 ( 1.338 16.836 -0.102) 16.890 12.528 ( -2.475 -11.528 -12.533) 17.208 13.401 ( -17.553 -17.497 13.293) 28.124 16.374 ( -11.344 -13.803 -7.502) 19.377======================= Grid point 394 (131/580) =======================q-point: ( 0.50 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.034 ( -1.041 14.310 0.555) 14.359 4.667 ( 13.406 8.151 3.942) 16.177 5.664 ( 8.902 1.321 -15.433) 17.865 6.303 ( 2.569 24.536 -1.446) 24.713 7.041 ( -6.797 7.991 7.598) 12.953 8.974 ( 1.643 13.047 -1.455) 13.231 9.625 ( 9.988 14.466 1.007) 17.607 10.356 ( 10.177 -7.350 -0.596) 12.568 11.295 ( -3.053 16.370 1.629) 16.732 12.386 ( 3.098 -9.466 -7.822) 12.664 13.036 ( -10.713 -10.284 6.260) 16.115 16.042 ( -8.235 -14.827 -3.203) 17.260======================= Grid point 395 (132/580) =======================q-point: ( 0.56 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.127 ( -4.085 13.138 -0.209) 13.760 4.906 ( 6.748 1.904 0.767) 7.053 5.789 ( 10.271 2.301 -18.526) 21.307 6.510 ( -1.092 13.476 4.633) 14.292 6.985 ( -14.870 15.450 7.538) 22.730 9.148 ( 4.411 10.446 -1.658) 11.460 9.885 ( 4.891 9.543 0.576) 10.739 10.403 ( 4.362 -5.612 -0.159) 7.110 11.279 ( -14.367 12.308 2.397) 19.069 12.390 ( 7.148 -7.770 -2.910) 10.951 12.893 ( 0.524 -4.088 0.658) 4.174 15.798 ( -2.584 -12.797 -0.076) 13.056======================= Grid point 396 (133/580) =======================q-point: (-0.39 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.154 ( -6.804 11.368 -0.606) 13.263 4.929 ( -2.225 -3.259 -4.205) 5.767 5.963 ( 12.016 3.232 -16.474) 20.645 6.572 ( -1.799 -0.359 13.861) 13.982 6.899 ( -20.538 25.939 1.792) 33.134 9.258 ( -1.608 4.752 -1.562) 5.254 9.973 ( -1.785 3.280 0.543) 3.773 10.421 ( 2.532 -3.627 0.585) 4.462 11.177 ( -11.731 16.349 1.497) 20.178 12.427 ( 6.161 -6.147 -0.187) 8.705 12.884 ( 1.757 -6.415 -1.663) 6.856 15.728 ( 6.642 -7.688 2.126) 10.380======================= Grid point 397 (134/580) =======================q-point: (-0.33 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.115 ( -9.189 8.962 -0.642) 12.852 4.770 ( -8.712 -5.208 -5.956) 11.769 6.096 ( 4.615 -1.813 -10.891) 11.967 6.557 ( -2.458 -4.135 14.652) 15.421 6.811 ( -19.615 28.139 -1.602) 34.338 9.180 ( -8.946 1.365 0.067) 9.050 9.885 ( -10.774 -0.585 0.491) 10.801 10.420 ( 2.399 -5.064 0.578) 5.633 11.223 ( -5.858 19.268 -0.279) 20.140 12.492 ( 8.206 -6.638 1.868) 10.718 12.790 ( -2.103 -6.692 -3.966) 8.058 15.889 ( 16.203 -2.452 3.988) 16.866======================= Grid point 398 (135/580) =======================q-point: (-0.28 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.012 ( -11.442 6.233 -0.286) 13.032 4.504 ( -13.371 -6.327 -4.488) 15.458 5.999 ( -7.361 -6.739 -1.328) 10.068 6.401 ( -22.156 8.594 3.051) 23.960 6.841 ( -0.391 10.280 0.363) 10.294 9.039 ( -10.366 4.542 1.913) 11.478 9.613 ( -17.578 -3.013 0.361) 17.838 10.372 ( 0.043 -11.275 0.145) 11.276 11.252 ( -12.126 14.292 -0.460) 18.748 12.580 ( 11.007 -5.689 -3.444) 12.860 12.776 ( 6.536 0.589 -0.924) 6.627 16.230 ( 21.712 0.583 5.270) 22.350======================= Grid point 399 (136/580) =======================q-point: (-0.22 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.839 ( -14.287 3.356 0.432) 14.682 4.155 ( -18.106 -7.361 -1.503) 19.603 5.738 ( -14.838 -6.346 2.008) 16.262 6.013 ( -31.490 7.278 -0.292) 32.321 6.920 ( 2.058 1.459 -1.319) 2.847 8.869 ( -19.601 4.444 2.496) 20.252 9.256 ( -19.306 -3.372 0.240) 19.600 10.214 ( 0.166 -15.187 -0.122) 15.189 11.114 ( -14.916 9.620 0.002) 17.749 12.796 ( 17.086 3.678 -16.668) 24.152 12.985 ( 14.937 0.682 10.518) 18.281 16.651 ( 22.987 1.679 5.181) 23.624======================= Grid point 400 (137/580) =======================q-point: (-0.17 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.569 ( -19.841 -1.002 1.458) 19.920 3.733 ( -22.308 -5.786 1.764) 23.114 5.375 ( -22.511 -3.374 2.397) 22.888 5.489 ( -32.482 0.896 -1.762) 32.542 6.939 ( 0.806 -0.397 -2.576) 2.728 8.331 ( -42.996 -5.241 1.807) 43.352 8.899 ( -18.205 -2.585 0.141) 18.388 10.207 ( 11.833 -5.703 -0.143) 13.137 10.983 ( -9.014 6.068 -0.118) 10.867 13.063 ( 14.300 5.073 -18.234) 23.721 13.378 ( 23.953 2.098 12.892) 27.283 17.064 ( 21.061 1.261 3.141) 21.331======================= Grid point 401 (138/580) =======================q-point: (-0.11 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.111 ( -29.189 -5.415 3.948) 29.948 3.303 ( -25.091 -1.854 3.296) 25.374 4.911 ( -29.606 1.485 1.296) 29.672 4.936 ( -28.586 -4.662 -1.109) 28.985 6.934 ( -0.585 0.238 -5.865) 5.899 7.386 ( -55.957 -7.226 3.501) 56.531 8.589 ( -15.354 -1.175 -0.018) 15.399 10.438 ( 16.160 -0.364 -0.677) 16.179 10.920 ( -3.276 2.453 -0.188) 4.097 13.286 ( 12.169 4.183 -15.597) 20.220 13.890 ( 27.611 2.080 12.327) 30.309 17.403 ( 16.728 -0.353 -1.053) 16.765======================= Grid point 402 (139/580) =======================q-point: (-0.06 0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.532 ( -34.099 -2.285 7.332) 34.953 2.807 ( -31.858 -1.707 3.941) 32.146 4.368 ( -35.681 0.641 3.596) 35.867 4.460 ( -22.573 0.533 -1.311) 22.617 6.274 ( -60.537 0.286 -3.038) 60.614 6.981 ( 0.942 0.171 -0.869) 1.294 8.350 ( -11.789 0.435 0.163) 11.798 10.698 ( 13.719 -0.164 -1.288) 13.780 10.912 ( 0.848 -0.028 -0.207) 0.874 13.466 ( 9.769 3.145 -17.667) 20.431 14.426 ( 28.044 -0.320 15.019) 31.814 17.617 ( 10.900 -2.446 -7.291) 13.340======================= Grid point 407 (140/580) =======================q-point: ( 0.22 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.658 ( 0.000 29.374 14.162) 32.609 2.733 ( 0.000 29.154 25.806) 38.935 4.135 ( -0.000 15.201 -7.192) 16.817 4.138 ( 0.000 38.939 13.035) 41.063 5.658 ( -0.000 57.619 -5.887) 57.919 6.907 ( -0.000 0.935 -6.950) 7.013 8.221 ( 0.000 9.669 -0.064) 9.670 10.800 ( -0.000 -9.936 -2.835) 10.332 10.899 ( -0.000 -4.538 -0.426) 4.558 12.908 ( -0.000 1.190 -34.745) 34.765 15.016 ( 0.000 -27.332 19.759) 33.726 17.560 ( -0.000 -1.648 -16.965) 17.045======================= Grid point 408 (141/580) =======================q-point: ( 0.28 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.989 ( 2.733 24.597 14.091) 28.478 3.133 ( 4.901 26.894 18.116) 32.795 4.378 ( 9.952 20.859 -6.172) 23.921 4.597 ( 7.539 29.977 9.101) 32.222 6.279 ( 10.693 43.733 -10.808) 46.301 6.975 ( 3.693 16.594 -1.349) 17.054 8.367 ( 4.310 11.851 0.354) 12.615 10.636 ( -5.277 -11.820 -3.297) 13.358 10.872 ( 1.793 -3.018 -0.532) 3.551 12.826 ( 2.705 -4.953 -26.714) 27.304 14.743 ( -5.758 -28.651 19.807) 35.303 17.429 ( -6.208 -3.895 -16.013) 17.611======================= Grid point 409 (142/580) =======================q-point: ( 0.33 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.327 ( 6.295 20.076 10.161) 23.366 3.527 ( 6.334 22.626 12.983) 26.845 4.841 ( 15.905 27.835 -4.168) 32.328 5.012 ( 9.366 19.688 3.601) 22.098 6.632 ( 6.316 10.408 -13.621) 18.269 7.520 ( 18.612 45.745 4.397) 49.582 8.603 ( 7.524 14.322 1.076) 16.214 10.375 ( -8.819 -13.113 -3.538) 16.194 10.906 ( 3.516 1.426 -0.791) 3.876 12.724 ( 2.062 -9.973 -20.423) 22.821 14.379 ( -10.098 -28.097 19.231) 35.514 17.175 ( -11.210 -7.153 -14.340) 19.557======================= Grid point 410 (143/580) =======================q-point: ( 0.39 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.667 ( 8.477 17.036 5.871) 19.913 3.881 ( 7.100 18.541 10.227) 22.333 5.257 ( 6.018 13.232 -3.615) 14.979 5.475 ( 18.503 28.623 -3.094) 34.223 6.791 ( 6.700 8.145 -6.052) 12.160 8.340 ( 21.423 40.591 2.702) 45.977 8.911 ( 9.503 16.601 1.783) 19.212 10.079 ( -7.821 -12.999 -3.219) 15.508 11.021 ( 4.658 8.168 -1.283) 9.490 12.574 ( 0.288 -12.763 -16.215) 20.637 13.961 ( -13.138 -25.940 17.277) 33.823 16.825 ( -13.931 -10.924 -11.672) 21.204======================= Grid point 411 (144/580) =======================q-point: ( 0.44 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.975 ( 5.793 16.098 3.288) 17.422 4.219 ( 10.047 14.333 7.955) 19.226 5.408 ( 5.249 3.854 -9.465) 11.489 6.047 ( 13.252 29.470 -3.969) 32.555 7.004 ( 7.021 11.518 2.237) 13.674 8.974 ( 7.565 28.990 0.636) 29.967 9.261 ( 10.292 17.445 2.076) 20.361 9.901 ( 5.263 -11.292 -2.017) 12.621 11.221 ( 5.102 15.519 -1.551) 16.409 12.392 ( -0.823 -13.215 -12.889) 18.478 13.525 ( -14.444 -22.088 13.674) 29.723 16.424 ( -13.783 -14.463 -8.191) 21.593======================= Grid point 412 (145/580) =======================q-point: ( 0.50 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.201 ( 0.916 16.192 2.041) 16.346 4.552 ( 11.523 9.561 5.396) 15.916 5.488 ( 6.617 -0.016 -13.811) 15.314 6.449 ( 5.293 19.458 -1.717) 20.238 7.259 ( 1.915 20.181 6.045) 21.154 9.170 ( -6.778 17.957 -1.189) 19.230 9.616 ( 9.707 16.437 2.297) 19.227 10.033 ( 17.091 -7.799 -1.116) 18.820 11.474 ( 3.384 18.947 -0.724) 19.260 12.220 ( 0.134 -12.221 -9.345) 15.385 13.132 ( -11.961 -15.804 8.654) 21.627 16.031 ( -10.803 -16.791 -4.523) 20.472======================= Grid point 413 (146/580) =======================q-point: ( 0.56 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.345 ( -3.341 15.979 0.861) 16.348 4.807 ( 8.127 3.605 2.375) 9.203 5.578 ( 9.448 0.304 -15.910) 18.507 6.613 ( -0.186 5.081 5.158) 7.242 7.478 ( -8.954 31.588 3.754) 33.047 9.237 ( -2.177 13.739 -1.309) 13.972 9.908 ( 5.705 12.377 1.907) 13.761 10.208 ( 11.271 -6.722 -1.047) 13.165 11.638 ( -7.379 17.028 1.220) 18.599 12.126 ( 6.948 -12.740 -5.387) 15.479 12.889 ( -4.478 -7.197 3.016) 8.997 15.711 ( -5.184 -16.594 -1.416) 17.443======================= Grid point 414 (147/580) =======================q-point: ( 0.61 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.407 ( -7.164 14.423 -0.216) 16.106 4.902 ( 1.590 -1.423 -1.650) 2.697 5.733 ( 12.063 2.177 -15.298) 19.603 6.613 ( -2.209 -4.172 11.763) 12.675 7.586 ( -19.212 37.145 0.584) 41.823 9.335 ( -0.677 8.732 -1.496) 8.885 10.043 ( -0.836 6.156 1.110) 6.311 10.304 ( 6.655 -4.605 0.174) 8.094 11.599 ( -14.713 18.161 1.962) 23.455 12.156 ( 12.054 -14.610 -1.887) 19.035 12.819 ( -0.118 -3.168 -0.824) 3.275 15.540 ( 3.340 -12.970 0.812) 13.418======================= Grid point 415 (148/580) =======================q-point: (-0.33 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.384 ( -10.007 11.019 -0.767) 14.905 4.840 ( -5.232 -2.038 -3.950) 6.865 5.909 ( 10.455 0.215 -13.587) 17.145 6.562 ( -1.011 -6.500 14.434) 15.862 7.552 ( -26.403 34.750 -0.765) 43.649 9.339 ( -5.911 4.825 -1.147) 7.716 10.039 ( -5.843 2.935 0.892) 6.599 10.326 ( 2.359 -6.736 0.802) 7.182 11.582 ( -10.659 22.171 1.253) 24.632 12.217 ( 12.072 -14.495 0.204) 18.865 12.757 ( -2.133 -4.928 -2.771) 6.043 15.588 ( 13.521 -7.455 2.330) 15.614======================= Grid point 416 (149/580) =======================q-point: (-0.28 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.283 ( -11.708 7.163 -0.497) 13.734 4.666 ( -11.446 -1.589 -3.679) 12.128 5.968 ( 2.090 -4.554 -8.003) 9.443 6.561 ( 1.588 -2.895 9.360) 9.925 7.357 ( -30.143 24.964 -0.550) 39.142 9.268 ( -8.215 8.345 0.108) 11.710 9.875 ( -14.301 -0.828 0.655) 14.340 10.261 ( -0.225 -11.916 0.665) 11.936 11.630 ( -11.499 20.173 0.671) 23.230 12.291 ( 12.308 -11.246 -1.146) 16.711 12.682 ( 1.976 -3.611 -2.269) 4.700 15.853 ( 21.360 -3.195 3.059) 21.813======================= Grid point 417 (150/580) =======================q-point: (-0.22 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.123 ( -13.355 4.198 0.387) 14.005 4.395 ( -16.424 -2.423 -1.808) 16.700 5.858 ( -6.410 -5.319 -2.659) 8.743 6.528 ( -11.880 2.675 1.715) 12.298 7.060 ( -20.439 9.573 0.717) 22.581 9.228 ( -11.194 13.252 1.139) 17.384 9.567 ( -18.994 -1.784 0.570) 19.086 10.070 ( -2.951 -18.279 0.051) 18.516 11.514 ( -19.063 10.353 0.618) 21.701 12.469 ( 17.607 -0.795 -8.941) 19.763 12.780 ( 11.162 -1.501 4.697) 12.203 16.247 ( 24.846 -1.150 2.486) 24.996======================= Grid point 418 (151/580) =======================q-point: (-0.17 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.899 ( -16.810 1.624 1.107) 16.925 4.051 ( -19.662 -2.553 0.899) 19.847 5.637 ( -13.412 -3.317 -1.285) 13.875 6.131 ( -34.684 3.573 -0.774) 34.876 6.936 ( -2.177 0.733 -0.024) 2.297 8.982 ( -31.649 4.005 1.101) 31.920 9.214 ( -19.852 -1.175 0.717) 19.900 9.950 ( 8.682 -8.669 -0.588) 12.283 11.260 ( -16.845 4.041 -0.158) 17.324 12.778 ( 18.214 4.861 -16.972) 25.366 13.049 ( 18.679 -1.704 14.351) 23.617 16.674 ( 24.478 -0.940 0.226) 24.497======================= Grid point 419 (152/580) =======================q-point: (-0.11 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.556 ( -23.887 -0.556 1.774) 23.959 3.693 ( -20.961 -0.494 2.978) 21.177 5.321 ( -20.333 -1.120 -1.030) 20.390 5.514 ( -36.454 0.694 -0.274) 36.462 6.927 ( -0.086 0.823 -2.538) 2.669 8.279 ( -48.575 -0.648 1.171) 48.593 8.876 ( -18.328 -0.001 0.588) 18.338 10.144 ( 15.997 -0.106 -1.123) 16.037 11.045 ( -9.892 -0.012 -0.395) 9.900 13.054 ( 14.241 4.573 -16.841) 22.525 13.470 ( 25.624 -1.932 16.875) 30.742 17.052 ( 21.179 -2.118 -3.779) 21.617======================= Grid point 420 (153/580) =======================q-point: (-0.06 0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.108 ( -29.284 2.809 3.643) 29.644 3.301 ( -25.561 -0.237 2.989) 25.736 4.878 ( -28.205 -0.897 -1.981) 28.288 4.978 ( -28.504 4.463 3.135) 29.021 6.916 ( -2.541 2.074 -7.599) 8.277 7.394 ( -54.275 5.550 4.035) 54.707 8.595 ( -15.180 1.552 0.623) 15.272 10.427 ( 16.093 0.118 -1.823) 16.196 10.919 ( -3.269 -2.412 -0.340) 4.077 13.264 ( 11.358 2.912 -15.933) 19.783 13.965 ( 28.186 -3.920 18.271) 33.818 17.325 ( 15.943 -3.928 -9.283) 18.863======================= Grid point 426 (154/580) =======================q-point: ( 0.28 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.211 ( 0.000 18.557 9.032) 20.638 3.422 ( 0.000 25.597 19.465) 32.157 4.481 ( -0.000 23.362 -5.751) 24.059 4.860 ( 0.000 27.981 6.072) 28.633 6.493 ( -0.000 21.006 -14.902) 25.755 7.218 ( 0.000 40.753 3.193) 40.878 8.457 ( 0.000 13.892 0.355) 13.896 10.569 ( -0.000 -10.177 -3.120) 10.644 10.806 ( -0.000 -4.307 -0.462) 4.332 12.671 ( -0.000 -6.856 -22.652) 23.667 14.554 ( 0.000 -29.992 17.860) 34.907 17.392 ( -0.000 -5.923 -14.129) 15.321======================= Grid point 427 (155/580) =======================q-point: ( 0.33 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.433 ( 4.324 14.172 6.331) 16.113 3.728 ( 1.549 21.836 15.811) 27.004 4.833 ( 13.113 26.821 -3.857) 30.103 5.137 ( 1.807 20.542 0.174) 20.622 6.617 ( 2.854 10.051 -11.899) 15.835 7.767 ( 8.804 47.653 3.475) 48.584 8.649 ( 4.718 15.911 0.748) 16.613 10.399 ( -7.523 -8.380 -2.803) 11.605 10.821 ( 5.486 -1.517 -0.541) 5.718 12.539 ( 0.974 -9.516 -18.124) 20.494 14.266 ( -4.417 -29.734 16.138) 34.118 17.219 ( -6.923 -8.590 -12.290) 16.516======================= Grid point 428 (156/580) =======================q-point: ( 0.39 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.689 ( 8.185 12.513 4.233) 15.540 4.006 ( 3.218 17.203 12.760) 21.659 5.310 ( 0.903 11.469 -7.256) 13.602 5.407 ( 20.716 28.877 -2.876) 35.655 6.762 ( 5.386 10.718 -4.597) 12.846 8.423 ( 15.279 37.756 2.147) 40.786 8.936 ( 8.224 17.897 1.540) 19.756 10.148 ( -11.797 -5.706 -2.544) 13.349 10.963 ( 9.074 5.128 -0.886) 10.460 12.397 ( 0.217 -11.377 -14.387) 18.343 13.916 ( -7.679 -28.090 14.172) 32.386 16.914 ( -12.499 -11.558 -10.245) 19.869======================= Grid point 429 (157/580) =======================q-point: ( 0.44 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.988 ( 10.286 12.672 2.929) 16.582 4.261 ( 4.819 12.925 10.454) 17.308 5.367 ( 0.662 4.315 -12.415) 13.160 6.043 ( 18.973 27.913 -3.412) 33.923 6.997 ( 8.681 13.250 2.726) 16.073 9.022 ( 17.529 23.183 0.638) 29.071 9.282 ( 9.423 18.745 2.265) 21.102 9.887 ( -12.431 -1.691 -2.200) 12.737 11.224 ( 10.610 13.165 -1.585) 16.982 12.235 ( -0.733 -11.934 -11.305) 16.455 13.537 ( -9.752 -25.038 11.741) 29.324 16.511 ( -15.385 -14.427 -7.896) 22.521======================= Grid point 430 (158/580) =======================q-point: ( 0.50 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.293 ( 7.873 13.860 2.497) 16.134 4.499 ( 7.199 8.867 7.492) 13.660 5.368 ( 2.164 0.171 -14.234) 14.398 6.513 ( 8.048 18.174 -1.976) 19.974 7.365 ( 12.479 21.397 5.733) 25.425 9.459 ( 6.997 16.234 -0.597) 17.688 9.619 ( 7.294 15.777 1.233) 17.425 9.726 ( 0.751 -1.074 -0.414) 1.374 11.550 ( 8.322 17.847 -2.532) 19.854 12.078 ( -0.156 -10.988 -8.088) 13.644 13.168 ( -9.716 -20.190 8.892) 24.106 16.069 ( -14.774 -16.628 -5.329) 22.873======================= Grid point 431 (159/580) =======================q-point: ( 0.56 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.530 ( 1.755 15.163 2.599) 15.484 4.719 ( 7.602 4.381 3.275) 9.365 5.385 ( 6.351 -1.269 -13.861) 15.299 6.682 ( -0.775 5.270 3.135) 6.181 7.836 ( 7.413 31.680 3.500) 32.723 9.505 ( -11.387 16.075 -1.578) 19.763 9.877 ( 17.985 -5.952 -1.162) 18.980 9.942 ( 6.592 13.348 2.758) 15.140 11.762 ( 3.122 2.216 -4.511) 5.916 12.009 ( -0.244 3.406 -2.665) 4.331 12.887 ( -5.043 -12.728 5.287) 14.676 15.663 ( -10.334 -17.301 -2.813) 20.348======================= Grid point 432 (160/580) =======================q-point: ( 0.61 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.664 ( -4.769 14.891 0.627) 15.649 4.842 ( 3.976 -0.184 0.645) 4.032 5.498 ( 11.575 0.204 -12.513) 17.047 6.658 ( -4.073 -2.920 7.614) 9.115 8.210 ( -6.328 37.574 0.988) 38.116 9.479 ( -6.463 10.190 -1.347) 12.142 10.076 ( 10.521 -3.271 -0.437) 11.026 10.146 ( 2.939 8.534 1.941) 9.232 11.750 ( 8.881 -16.844 -3.391) 19.342 12.033 ( -9.811 15.569 1.387) 18.455 12.786 ( 0.704 -4.268 0.621) 4.370 15.380 ( -2.087 -15.313 -0.666) 15.469======================= Grid point 433 (161/580) =======================q-point: (-0.33 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.653 ( -9.318 8.421 -1.399) 12.637 4.885 ( -0.659 2.613 -0.129) 2.698 5.678 ( 12.015 0.507 -11.927) 16.937 6.567 ( -3.137 -6.531 10.481) 12.742 8.338 ( -21.884 35.706 -0.366) 41.880 9.469 ( -3.416 5.898 -1.197) 6.921 10.162 ( 0.234 0.873 0.204) 0.926 10.216 ( -0.175 -0.264 1.429) 1.464 11.762 ( 14.383 -18.567 -1.784) 23.554 12.027 ( -9.539 17.892 3.197) 20.527 12.747 ( -2.177 -3.583 -2.433) 4.847 15.306 ( 8.667 -10.464 0.812) 13.612======================= Grid point 434 (162/580) =======================q-point: (-0.28 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.533 ( -10.586 3.849 -0.666) 11.284 4.844 ( -8.285 3.949 -1.367) 9.279 5.818 ( 7.799 -1.236 -10.245) 12.935 6.516 ( 1.199 -5.444 9.964) 11.418 8.159 ( -32.485 23.566 -0.313) 40.134 9.480 ( -4.533 11.172 -1.064) 12.104 10.089 ( -9.181 0.019 0.545) 9.197 10.148 ( -1.790 -10.789 1.212) 11.004 11.878 ( 15.721 -8.640 -2.423) 18.102 12.070 ( -8.635 16.177 4.095) 18.789 12.624 ( -2.756 -7.443 -3.093) 8.518 15.469 ( 18.232 -5.274 1.259) 19.021======================= Grid point 435 (163/580) =======================q-point: (-0.22 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.370 ( -11.533 1.867 0.922) 11.719 4.665 ( -14.966 1.862 -1.236) 15.132 5.852 ( 0.846 -1.564 -6.888) 7.114 6.552 ( 3.762 -2.433 5.376) 6.998 7.716 ( -36.595 9.581 0.583) 37.833 9.533 ( -6.166 17.769 -0.610) 18.818 9.864 ( -16.133 -0.557 0.814) 16.163 9.946 ( -4.080 -19.282 0.486) 19.715 11.958 ( -20.053 8.427 1.078) 21.778 12.120 ( 18.685 -1.956 -4.540) 19.328 12.599 ( 7.864 -3.341 1.770) 8.726 15.807 ( 23.916 -2.217 0.431) 24.023======================= Grid point 436 (164/580) =======================q-point: (-0.17 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.172 ( -13.442 0.073 1.948) 13.582 4.380 ( -18.588 0.846 0.478) 18.614 5.779 ( -6.341 0.182 -5.240) 8.228 6.549 ( -7.912 -0.714 0.065) 7.945 7.174 ( -27.402 0.191 2.556) 27.522 9.469 ( -19.697 -0.807 -0.086) 19.713 9.552 ( -19.177 -0.030 1.019) 19.204 9.771 ( 3.706 -0.021 -0.734) 3.778 11.617 ( -21.445 -0.606 -0.722) 21.466 12.446 ( 19.707 3.340 -8.960) 21.905 12.791 ( 13.603 -0.991 8.934) 16.304 16.221 ( 25.526 -1.463 -1.744) 25.627======================= Grid point 437 (165/580) =======================q-point: (-0.11 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.903 ( -17.177 -2.056 1.515) 17.366 4.069 ( -20.054 3.170 2.796) 20.494 5.605 ( -13.256 1.998 -4.461) 14.129 6.126 ( -33.866 -3.359 -1.328) 34.058 6.950 ( -2.939 0.206 1.461) 3.288 8.968 ( -31.277 -5.658 -0.388) 31.787 9.216 ( -19.867 0.906 0.917) 19.909 9.947 ( 8.455 8.842 -0.970) 12.272 11.255 ( -16.550 -4.138 -0.749) 17.076 12.777 ( 17.397 4.221 -14.681) 23.151 13.096 ( 19.802 -3.053 16.981) 26.264 16.623 ( 23.749 -2.417 -5.180) 24.427======================= Grid point 438 (166/580) =======================q-point: (-0.06 0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.568 ( -20.214 0.070 1.431) 20.264 3.747 ( -23.538 4.861 3.155) 24.241 5.323 ( -22.115 1.941 -2.941) 22.394 5.510 ( -30.355 -0.249 0.418) 30.359 6.939 ( -0.858 1.793 -2.601) 3.274 8.317 ( -41.931 3.734 0.341) 42.098 8.906 ( -17.999 2.518 0.781) 18.191 10.194 ( 11.344 5.980 -1.527) 12.914 10.980 ( -8.915 -5.823 -0.417) 10.657 13.030 ( 13.457 2.352 -15.446) 20.621 13.506 ( 25.366 -5.736 20.165) 32.909 16.944 ( 19.593 -4.295 -9.612) 22.243======================= Grid point 445 (167/580) =======================q-point: ( 0.33 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.523 ( 0.000 9.894 3.579) 10.521 3.971 ( 0.000 18.659 14.856) 23.851 4.963 ( -0.000 26.286 -2.940) 26.450 5.304 ( -0.000 15.649 -6.093) 16.793 6.667 ( -0.000 11.147 -7.334) 13.343 8.153 ( 0.000 41.225 2.229) 41.285 8.772 ( 0.000 17.141 0.483) 17.148 10.432 ( -0.000 0.282 -1.653) 1.677 10.726 ( -0.000 -3.445 -0.242) 3.454 12.391 ( -0.000 -8.789 -14.682) 17.112 14.049 ( 0.000 -29.748 13.326) 32.597 17.151 ( -0.000 -10.733 -10.389) 14.937======================= Grid point 446 (168/580) =======================q-point: ( 0.39 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.671 ( 5.998 8.036 1.987) 10.222 4.179 ( 0.278 14.406 13.021) 19.421 5.336 ( 10.988 20.918 -4.469) 24.047 5.403 ( 2.970 13.499 -10.586) 17.410 6.799 ( 2.790 12.770 -1.173) 13.124 8.566 ( 6.789 27.542 0.618) 28.373 8.998 ( 5.430 18.217 0.747) 19.023 10.345 ( -11.538 5.102 -0.837) 12.643 10.822 ( 10.946 2.582 -0.024) 11.247 12.267 ( -0.718 -7.345 -11.326) 13.518 13.764 ( -3.311 -28.425 10.821) 30.594 16.940 ( -7.344 -12.959 -8.619) 17.209======================= Grid point 447 (169/580) =======================q-point: ( 0.44 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.905 ( 11.196 7.977 1.398) 13.818 4.355 ( 1.795 10.277 11.431) 15.476 5.375 ( -1.355 3.661 -16.154) 16.619 5.939 ( 22.102 25.246 -2.331) 33.635 7.001 ( 5.946 11.936 3.624) 13.819 8.926 ( 11.817 12.324 -1.007) 17.104 9.313 ( 8.847 18.319 1.568) 20.404 10.180 ( -14.536 8.765 -0.891) 16.998 11.115 ( 14.745 10.267 -0.018) 17.968 12.144 ( -2.935 -5.255 -8.575) 10.476 13.444 ( -5.576 -25.754 8.606) 27.721 16.596 ( -13.208 -14.792 -6.898) 20.996======================= Grid point 448 (170/580) =======================q-point: ( 0.50 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.215 ( 13.943 8.909 1.210) 16.590 4.516 ( 3.402 6.541 9.396) 11.944 5.327 ( -1.192 1.338 -15.469) 15.572 6.514 ( 14.594 20.938 -2.210) 25.618 7.300 ( 15.168 12.609 5.787) 20.556 9.221 ( 15.328 1.323 -1.693) 15.478 9.655 ( 9.104 16.874 2.298) 19.310 10.027 ( -14.815 12.395 -1.358) 19.364 11.510 ( 15.859 14.703 -0.840) 21.642 12.003 ( -5.249 -4.640 -6.312) 9.430 13.123 ( -6.583 -21.442 6.829) 23.446 16.165 ( -16.231 -15.788 -5.176) 23.227======================= Grid point 449 (171/580) =======================q-point: ( 0.56 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.552 ( 12.505 10.658 1.392) 16.490 4.659 ( 4.759 3.149 6.081) 8.339 5.278 ( 0.220 -0.166 -12.712) 12.715 6.771 ( -0.510 8.699 1.138) 8.788 7.842 ( 23.791 21.292 3.527) 32.121 9.486 ( 17.225 -3.624 -1.186) 17.642 9.900 ( -12.652 14.029 -1.585) 18.958 9.967 ( 6.428 13.204 2.265) 14.859 11.778 ( -8.158 0.639 -5.785) 10.022 11.964 ( 14.215 8.268 -0.703) 16.459 12.849 ( -5.335 -15.426 5.546) 17.239 15.715 ( -15.450 -15.547 -3.458) 22.189======================= Grid point 450 (172/580) =======================q-point: ( 0.61 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.772 ( 4.458 0.186 1.660) 4.761 4.832 ( 4.184 13.165 2.538) 14.045 5.282 ( 6.723 -1.964 -10.074) 12.270 6.750 ( -6.238 0.114 3.678) 7.242 8.464 ( 16.626 27.950 1.528) 32.557 9.669 ( 2.703 -3.434 -1.383) 4.584 9.863 ( 0.917 9.426 -0.422) 9.480 10.205 ( 5.617 11.478 1.916) 12.921 11.539 ( -7.166 -13.661 -3.916) 15.915 12.267 ( 3.247 14.536 -0.842) 14.918 12.699 ( 1.559 -8.462 3.472) 9.279 15.332 ( -10.049 -13.716 -1.787) 17.097======================= Grid point 451 (173/580) =======================q-point: ( 0.67 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.798 ( -1.817 -0.024 -1.973) 2.682 4.966 ( -2.037 10.131 3.692) 10.973 5.428 ( 13.533 -0.626 -8.453) 15.968 6.620 ( -6.850 -4.273 5.152) 9.577 8.912 ( -1.917 30.813 0.312) 30.874 9.569 ( -5.429 -1.462 -1.088) 5.727 10.009 ( 7.074 -2.679 0.275) 7.570 10.398 ( -2.095 16.291 1.455) 16.489 11.307 ( 6.762 -24.113 -2.288) 25.147 12.348 ( -6.544 12.514 2.078) 14.274 12.720 ( 2.432 -2.366 -1.042) 3.550 15.119 ( 0.215 -9.775 -0.364) 9.784======================= Grid point 452 (174/580) =======================q-point: (-0.28 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.713 ( -7.467 1.060 -0.377) 7.551 4.997 ( -4.114 4.264 0.710) 5.967 5.631 ( 11.019 1.905 -7.251) 13.327 6.495 ( -3.009 -5.305 5.780) 8.403 8.888 ( -27.483 15.960 -0.047) 31.781 9.589 ( 4.522 6.963 -0.893) 8.350 10.016 ( 0.345 -8.691 0.380) 8.706 10.358 ( -15.152 6.230 1.059) 16.417 11.391 ( 23.811 -12.747 -1.434) 27.046 12.383 ( -4.056 12.417 3.451) 13.511 12.633 ( -7.777 -5.435 -2.934) 9.931 15.154 ( 11.757 -4.422 0.126) 12.562======================= Grid point 453 (175/580) =======================q-point: (-0.22 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.573 ( -10.042 0.807 1.864) 10.245 4.898 ( -9.776 0.082 -0.853) 9.814 5.784 ( 5.387 4.060 -6.622) 9.453 6.466 ( 3.151 -4.064 4.924) 7.120 8.404 ( -35.495 0.153 0.492) 35.498 9.733 ( 2.105 2.813 -0.703) 3.584 9.872 ( -6.747 -2.683 0.060) 7.261 10.120 ( -14.131 -0.517 0.807) 14.163 11.743 ( 21.962 0.658 -2.291) 22.091 12.341 ( -16.625 -6.373 -1.912) 17.907 12.485 ( 2.911 6.462 3.554) 7.929 15.408 ( 19.590 -0.696 -0.680) 19.614======================= Grid point 454 (176/580) =======================q-point: (-0.17 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.389 ( -11.923 -1.548 2.810) 12.348 4.680 ( -14.365 0.182 0.474) 14.374 5.849 ( -1.256 5.640 -7.282) 9.296 6.528 ( 5.032 -2.545 2.847) 6.317 7.726 ( -36.247 -9.281 1.619) 37.451 9.539 ( -7.272 -18.242 -0.033) 19.638 9.864 ( -16.024 0.068 0.835) 16.046 9.929 ( -3.384 19.116 -1.302) 19.457 11.921 ( -17.158 -8.589 -2.997) 19.421 12.134 ( 17.372 3.218 -2.522) 17.846 12.640 ( 6.854 4.394 5.786) 9.989 15.779 ( 23.302 0.251 -2.496) 23.437======================= Grid point 455 (177/580) =======================q-point: (-0.11 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.139 ( -13.936 -4.811 1.914) 14.867 4.439 ( -16.564 4.471 3.029) 17.422 5.806 ( -7.860 6.200 -7.818) 12.702 6.498 ( -11.456 -4.360 -1.578) 12.358 7.098 ( -19.608 -9.324 4.515) 22.176 9.205 ( -12.212 -14.118 -1.315) 18.713 9.570 ( -18.851 1.329 0.851) 18.917 10.062 ( -2.374 18.320 -0.821) 18.491 11.499 ( -18.409 -9.600 -0.948) 20.784 12.471 ( 17.515 4.083 -7.314) 19.415 12.846 ( 11.860 0.006 10.359) 15.748 16.176 ( 23.552 -0.886 -5.088) 24.111======================= Grid point 456 (178/580) =======================q-point: (-0.06 0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.845 ( -14.780 -4.012 1.000) 15.348 4.204 ( -19.611 8.058 3.674) 21.518 5.657 ( -14.104 5.978 -6.278) 16.555 5.999 ( -29.812 -7.418 -1.940) 30.782 6.953 ( 0.235 -1.204 2.101) 2.432 8.829 ( -19.319 -5.672 -1.768) 20.212 9.260 ( -19.185 3.003 0.663) 19.430 10.210 ( 0.052 15.726 -0.455) 15.732 11.114 ( -14.874 -8.732 -0.049) 17.247 12.755 ( 15.067 1.666 -12.202) 19.459 13.125 ( 18.453 -4.621 16.593) 25.243 16.524 ( 21.005 -3.227 -8.252) 22.798======================= Grid point 464 (179/580) =======================q-point: ( 0.39 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.685 ( 0.000 5.691 0.537) 5.717 4.341 ( 0.000 10.358 12.023) 15.869 5.419 ( -0.000 4.706 -17.895) 18.504 5.446 ( 0.000 22.465 -1.340) 22.505 6.910 ( 0.000 13.333 2.535) 13.572 8.727 ( -0.000 16.077 -1.132) 16.117 9.131 ( 0.000 18.137 0.111) 18.137 10.613 ( 0.000 16.066 1.144) 16.107 10.666 ( 0.000 -2.594 0.269) 2.608 12.205 ( -0.000 -0.828 -8.063) 8.106 13.541 ( 0.000 -27.259 7.868) 28.372 16.844 ( -0.000 -14.512 -7.099) 16.155======================= Grid point 465 (180/580) =======================q-point: ( 0.44 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.802 ( 7.466 4.886 0.097) 8.923 4.460 ( 0.214 6.680 10.786) 12.689 5.377 ( -1.413 2.313 -18.458) 18.656 5.808 ( 16.807 20.040 -1.551) 26.201 7.061 ( 1.831 10.683 4.554) 11.757 8.879 ( 4.655 7.807 -2.411) 9.404 9.363 ( 5.934 17.549 0.255) 18.527 10.487 ( -11.785 5.122 0.304) 12.853 10.952 ( 13.922 8.654 1.808) 16.492 12.188 ( -3.472 6.557 -5.566) 9.276 13.279 ( -2.303 -24.557 5.588) 25.290 16.608 ( -7.429 -15.472 -5.718) 18.090======================= Grid point 466 (181/580) =======================q-point: ( 0.50 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.037 ( 13.706 4.964 0.193) 14.578 4.555 ( 1.453 3.615 9.111) 9.909 5.320 ( -1.321 1.741 -15.497) 15.650 6.374 ( 24.243 19.497 -2.041) 31.177 7.211 ( 5.529 5.031 5.268) 9.145 9.038 ( 8.244 3.577 -2.509) 9.330 9.667 ( 8.871 15.728 0.929) 18.081 10.344 ( -11.138 6.096 -0.645) 12.714 11.300 ( 17.944 5.043 1.804) 18.726 12.157 ( -9.308 10.712 -4.280) 14.822 13.019 ( -3.539 -19.675 4.215) 20.430 16.257 ( -13.242 -15.163 -4.430) 20.613======================= Grid point 467 (182/580) =======================q-point: ( 0.56 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.361 ( 17.224 5.395 0.061) 18.049 4.638 ( 2.741 1.144 6.735) 7.361 5.274 ( -1.723 1.916 -10.496) 10.808 6.853 ( 6.049 13.917 -1.214) 15.224 7.511 ( 27.129 4.965 3.861) 27.849 9.226 ( 11.165 1.691 -1.441) 11.384 9.957 ( 8.013 11.219 1.328) 13.851 10.220 ( -10.707 7.471 -1.391) 13.130 11.689 ( 22.026 2.392 1.070) 22.181 12.027 ( -15.558 8.193 -3.948) 18.021 12.805 ( -3.970 -12.144 3.696) 13.301 15.843 ( -16.277 -13.166 -3.182) 21.176======================= Grid point 468 (183/580) =======================q-point: ( 0.61 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.693 ( 8.363 2.043 -1.654) 8.766 4.745 ( 13.023 3.684 5.600) 14.647 5.229 ( -2.611 1.188 -5.833) 6.501 6.891 ( -7.100 3.024 0.561) 7.737 8.197 ( 36.363 11.987 1.313) 38.311 9.434 ( 11.792 -1.062 -0.286) 11.843 10.113 ( -10.137 8.062 -1.307) 13.018 10.175 ( 7.586 6.319 1.069) 9.931 11.719 ( -20.439 -0.916 -1.924) 20.550 12.130 ( 21.450 4.398 -1.682) 21.961 12.663 ( -3.834 -5.183 3.630) 7.398 15.438 ( -15.677 -9.638 -1.925) 18.504======================= Grid point 469 (184/580) =======================q-point: ( 0.67 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.768 ( 3.254 -0.399 0.008) 3.278 5.086 ( 10.990 9.429 4.403) 15.135 5.174 ( 1.810 -3.786 -5.282) 6.746 6.746 ( -9.602 -1.516 0.531) 9.735 8.905 ( 28.522 13.455 0.497) 31.540 9.548 ( 2.907 -5.328 -0.242) 6.075 10.022 ( -6.862 4.383 -0.182) 8.144 10.422 ( 14.575 7.741 0.523) 16.511 11.277 ( -23.745 -8.375 -1.172) 25.206 12.470 ( 8.299 6.125 -2.929) 10.722 12.602 ( 2.916 -3.626 3.724) 5.960 15.129 ( -10.151 -5.044 -0.688) 11.356======================= Grid point 470 (185/580) =======================q-point: (-0.28 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.797 ( -0.693 0.846 0.261) 1.125 5.074 ( -3.975 -2.519 -0.524) 4.735 5.430 ( 14.662 5.065 0.287) 15.515 6.563 ( -8.321 -2.727 -0.023) 8.756 9.379 ( -15.933 -5.659 -0.022) 16.908 9.405 ( 17.022 6.059 0.019) 18.069 9.978 ( -0.504 -0.199 0.006) 0.542 10.767 ( -23.509 -8.121 -0.027) 24.872 10.858 ( 24.818 8.576 0.025) 26.258 12.481 ( -3.388 -1.474 -0.003) 3.695 12.695 ( 1.873 0.927 0.002) 2.089 15.017 ( 0.678 0.244 -0.000) 0.721======================= Grid point 471 (186/580) =======================q-point: (-0.22 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.744 ( -7.565 0.987 2.869) 8.151 4.969 ( -2.618 -5.918 -2.331) 6.878 5.706 ( 9.783 7.179 0.384) 12.141 6.431 ( -3.140 -2.542 -0.572) 4.080 8.891 ( -27.265 -15.744 0.329) 31.486 9.600 ( 4.928 -6.092 0.256) 7.840 10.010 ( -0.165 8.453 -0.330) 8.461 10.348 ( -14.826 -7.431 -0.004) 16.584 11.400 ( 22.975 14.167 -0.505) 26.997 12.334 ( -5.670 -13.932 -1.888) 15.159 12.682 ( -5.553 6.493 2.384) 8.870 15.148 ( 11.101 3.990 -0.564) 11.810======================= Grid point 472 (187/580) =======================q-point: (-0.17 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.570 ( -11.204 -4.576 3.062) 12.484 4.854 ( -6.053 -1.376 -0.203) 6.210 5.899 ( 2.916 9.503 -3.293) 10.472 6.412 ( 4.035 -3.044 0.670) 5.098 8.170 ( -32.178 -23.314 0.868) 39.746 9.496 ( -4.985 -11.219 0.552) 12.289 10.089 ( -10.221 -2.067 0.525) 10.441 10.121 ( -0.722 12.475 -1.569) 12.594 11.891 ( 17.307 14.054 -1.780) 22.365 12.009 ( -10.109 -20.026 -1.637) 22.493 12.690 ( -2.244 6.724 3.893) 8.088 15.438 ( 17.109 4.457 -1.967) 17.789======================= Grid point 473 (188/580) =======================q-point: (-0.11 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.306 ( -12.116 -8.167 1.699) 14.710 4.730 ( -10.544 4.189 3.293) 11.814 5.966 ( -4.304 10.073 -8.883) 14.103 6.484 ( 5.264 -3.319 1.879) 6.501 7.386 ( -28.812 -24.599 2.494) 37.967 9.262 ( -9.703 -8.571 -0.535) 12.957 9.873 ( -14.014 0.307 0.497) 14.026 10.242 ( 0.168 12.306 -1.290) 12.375 11.623 ( -11.105 -18.510 -0.094) 21.586 12.262 ( 12.467 10.735 -3.740) 16.872 12.760 ( 2.905 3.310 5.492) 7.040 15.788 ( 19.737 2.468 -3.722) 20.236======================= Grid point 474 (189/580) =======================q-point: (-0.06 0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.022 ( -11.852 -6.848 0.726) 13.707 4.590 ( -14.115 7.775 4.607) 16.760 5.908 ( -9.630 8.837 -10.462) 16.742 6.341 ( -19.408 -9.891 -2.831) 21.966 6.907 ( -1.391 -11.518 6.472) 13.285 9.004 ( -11.707 -4.808 -1.840) 12.789 9.612 ( -17.435 2.514 0.336) 17.618 10.366 ( 0.673 11.772 -0.496) 11.801 11.268 ( -12.192 -12.685 1.224) 17.636 12.523 ( 10.649 5.139 -6.773) 13.627 12.894 ( 8.956 -0.970 8.807) 12.598 16.126 ( 19.530 -0.850 -5.688) 20.359======================= Grid point 483 (190/580) =======================q-point: ( 0.44 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.774 ( -0.000 3.394 -0.425) 3.421 4.538 ( 0.000 3.245 9.323) 9.871 5.353 ( -0.000 1.213 -17.771) 17.813 5.822 ( 0.000 15.621 -0.682) 15.636 7.160 ( 0.000 8.307 4.460) 9.429 8.899 ( -0.000 5.720 -3.221) 6.565 9.476 ( 0.000 16.001 -0.467) 16.008 10.622 ( 0.000 -2.318 0.779) 2.446 10.901 ( 0.000 8.123 3.015) 8.665 12.329 ( -0.000 16.170 -3.528) 16.550 13.080 ( 0.000 -21.415 3.445) 21.690 16.502 ( -0.000 -15.562 -4.594) 16.226======================= Grid point 484 (191/580) =======================q-point: ( 0.50 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.877 ( 8.470 2.797 -0.286) 8.925 4.587 ( 0.494 0.919 7.556) 7.627 5.310 ( -0.609 1.715 -13.140) 13.266 6.129 ( 18.928 12.751 -0.971) 22.843 7.234 ( -0.243 3.863 3.512) 5.227 8.973 ( 3.598 4.720 -2.887) 6.600 9.679 ( 6.121 13.489 -0.287) 14.815 10.531 ( -6.865 0.240 0.408) 6.881 11.070 ( 11.393 0.832 3.043) 11.822 12.438 ( -6.613 16.293 -3.058) 17.848 12.893 ( -1.175 -14.479 2.648) 14.766 16.277 ( -7.129 -14.032 -3.547) 16.134======================= Grid point 485 (192/580) =======================q-point: ( 0.56 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.111 ( 15.210 2.468 -0.137) 15.409 4.624 ( 1.445 -0.524 5.503) 5.713 5.292 ( -0.676 2.665 -7.010) 7.530 6.688 ( 29.037 12.939 -1.895) 31.846 7.252 ( 1.892 -2.744 2.758) 4.326 9.100 ( 6.827 3.840 -1.517) 7.978 9.920 ( 7.723 8.546 0.183) 11.520 10.423 ( -7.299 3.022 -0.418) 7.911 11.326 ( 18.793 -2.176 1.933) 19.017 12.371 ( -13.536 7.278 -2.742) 15.611 12.780 ( -2.654 -4.010 2.361) 5.357 15.971 ( -12.629 -10.296 -2.520) 16.488======================= Grid point 486 (193/580) =======================q-point: ( 0.61 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.431 ( 18.769 1.828 -0.893) 18.879 4.664 ( 2.802 -1.246 3.942) 4.995 5.286 ( -2.070 2.905 -1.418) 3.838 7.041 ( -4.890 5.381 -2.155) 7.584 7.562 ( 40.666 -0.413 1.446) 40.693 9.267 ( 8.900 1.979 -0.111) 9.118 10.093 ( 6.251 2.480 -0.007) 6.725 10.330 ( -7.845 3.774 -0.447) 8.717 11.699 ( 25.390 -0.843 0.234) 25.405 12.118 ( -20.327 2.269 -1.443) 20.504 12.708 ( -3.870 -1.111 1.737) 4.385 15.639 ( -15.776 -4.886 -1.445) 16.579======================= Grid point 487 (194/580) =======================q-point: (-0.33 -0.56 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.689 ( 5.950 -0.729 -2.164) 6.373 4.801 ( 17.384 -0.943 2.376) 17.571 5.265 ( -3.998 3.155 3.362) 6.103 6.905 ( -9.845 -0.775 -2.520) 10.192 8.318 ( 42.579 -0.505 0.221) 42.582 9.427 ( 8.058 0.108 0.306) 8.064 10.199 ( -7.240 0.781 -0.839) 7.331 10.233 ( 7.255 -0.648 0.484) 7.300 11.718 ( -26.432 0.814 0.201) 26.445 12.149 ( 25.229 0.898 -1.119) 25.270 12.632 ( -3.974 -1.709 1.180) 4.484 15.339 ( -15.673 0.871 -0.288) 15.699======================= Grid point 488 (195/580) =======================q-point: (-0.28 -0.56 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.758 ( 4.492 -0.700 -1.282) 4.723 5.018 ( 6.861 -7.687 -2.296) 10.556 5.306 ( 5.205 7.068 8.541) 12.247 6.706 ( -10.270 -1.256 -3.846) 11.038 8.896 ( 28.444 -14.360 -0.455) 31.866 9.556 ( 3.585 6.047 0.661) 7.061 10.024 ( -7.436 -4.079 0.011) 8.481 10.406 ( 13.692 -8.934 -1.153) 16.390 11.309 ( -23.034 10.998 2.253) 25.624 12.524 ( 3.690 -8.306 2.936) 9.551 12.530 ( 7.773 4.063 -4.120) 9.690 15.142 ( -10.446 6.307 0.687) 12.221======================= Grid point 489 (196/580) =======================q-point: (-0.22 -0.56 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.824 ( 3.179 0.757 -0.516) 3.309 4.914 ( -4.564 -10.576 -0.730) 11.542 5.580 ( 12.819 5.717 7.900) 16.107 6.521 ( -8.536 0.320 -5.485) 10.152 8.904 ( -0.960 -31.006 -0.512) 31.025 9.589 ( -6.100 1.816 0.962) 6.437 10.006 ( 7.178 2.990 -0.082) 7.776 10.370 ( -1.372 -16.498 -1.453) 16.618 11.353 ( 4.995 25.162 2.559) 25.781 12.321 ( -8.450 -12.769 -0.861) 15.336 12.724 ( 5.403 1.456 -0.518) 5.619 15.129 ( -0.898 10.210 0.692) 10.273======================= Grid point 490 (197/580) =======================q-point: (-0.17 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.680 ( -8.876 -11.468 1.121) 14.545 4.879 ( 1.567 1.199 -0.445) 2.023 5.868 ( 10.759 5.708 7.356) 14.229 6.395 ( -4.652 1.304 -6.823) 8.360 8.343 ( -21.210 -35.905 0.124) 41.702 9.486 ( -3.291 -5.628 0.539) 6.541 10.165 ( -2.326 -4.714 0.486) 5.279 10.189 ( 2.129 4.097 -1.234) 4.779 11.793 ( 13.957 20.908 1.179) 25.166 11.979 ( -11.085 -18.959 -1.666) 22.025 12.778 ( -0.248 2.407 0.932) 2.593 15.295 ( 7.103 10.489 -0.331) 12.673======================= Grid point 491 (198/580) =======================q-point: (-0.11 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.400 ( -9.796 -11.965 0.814) 15.485 4.896 ( -2.922 3.684 2.022) 5.118 6.080 ( 2.495 8.941 -0.717) 9.311 6.358 ( 3.039 -1.707 -1.974) 4.006 7.566 ( -25.480 -34.918 0.781) 43.233 9.353 ( -6.660 -4.564 0.266) 8.078 10.029 ( -5.478 -3.223 -0.142) 6.358 10.312 ( 1.942 7.186 -0.682) 7.475 11.571 ( -9.579 -22.290 0.029) 24.261 12.202 ( 10.233 15.609 -1.307) 18.710 12.802 ( -0.415 3.721 1.991) 4.240 15.551 ( 11.773 7.555 -1.589) 14.078======================= Grid point 492 (199/580) =======================q-point: (-0.06 0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.126 ( -9.340 -9.375 0.382) 13.239 4.863 ( -7.508 6.024 3.944) 10.403 6.105 ( -6.556 9.645 -13.345) 17.723 6.419 ( 1.309 -4.939 3.199) 6.028 6.869 ( -14.919 -26.294 4.867) 30.621 9.171 ( -10.584 -1.104 -0.869) 10.677 9.880 ( -10.624 0.337 -0.029) 10.629 10.410 ( 2.727 5.614 -0.512) 6.262 11.241 ( -4.376 -19.108 1.624) 19.669 12.445 ( 5.775 7.667 -2.981) 10.052 12.858 ( 0.715 5.009 3.070) 5.918 15.825 ( 14.170 2.893 -2.760) 14.723======================= Grid point 502 (200/580) =======================q-point: ( 0.50 0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.822 ( -0.000 1.723 -0.189) 1.733 4.602 ( 0.000 -0.757 5.739) 5.788 5.300 ( -0.000 2.121 -8.247) 8.515 6.055 ( 0.000 7.928 -0.394) 7.937 7.280 ( 0.000 2.200 1.502) 2.664 8.981 ( -0.000 4.364 -2.142) 4.862 9.741 ( 0.000 10.228 -0.529) 10.242 10.580 ( 0.000 -2.225 0.667) 2.323 10.980 ( 0.000 -0.275 2.587) 2.602 12.597 ( -0.000 2.183 -2.911) 3.638 12.841 ( 0.000 2.848 2.292) 3.656 16.202 ( -0.000 -11.056 -2.683) 11.377======================= Grid point 503 (201/580) =======================q-point: ( 0.56 0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.914 ( 8.899 1.019 0.080) 8.957 4.611 ( 0.630 -1.526 4.092) 4.412 5.311 ( 0.041 3.232 -2.079) 3.843 6.300 ( 20.928 4.622 -0.472) 21.438 7.272 ( -2.421 -0.378 -0.447) 2.491 9.044 ( 3.418 3.060 -0.550) 4.620 9.872 ( 5.448 5.373 -0.143) 7.653 10.530 ( -3.473 -0.205 -0.007) 3.479 11.057 ( 9.443 -2.262 0.951) 9.757 12.534 ( -4.035 -2.263 -1.378) 4.827 12.873 ( -4.666 5.945 1.121) 7.640 16.052 ( -6.651 -5.650 -1.823) 8.916======================= Grid point 504 (202/580) =======================q-point: (-0.39 -0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.135 ( 15.514 0.057 -0.128) 15.515 4.621 ( 1.547 -2.007 2.609) 3.638 5.345 ( -0.753 3.650 3.361) 5.019 6.838 ( 36.752 1.440 -0.365) 36.782 7.185 ( -5.445 -2.289 -2.405) 6.377 9.150 ( 6.344 0.804 0.829) 6.448 10.002 ( 6.035 -0.059 -0.158) 6.037 10.460 ( -5.159 0.172 -0.290) 5.170 11.285 ( 19.435 -1.204 -0.873) 19.492 12.410 ( -10.861 1.366 0.169) 10.948 12.794 ( -6.460 -0.896 0.521) 6.543 15.860 ( -12.119 0.962 -0.913) 12.191======================= Grid point 505 (203/580) =======================q-point: (-0.33 -0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.423 ( 17.981 -1.787 -1.763) 18.156 4.645 ( 3.501 -2.597 2.003) 4.797 5.369 ( -2.527 3.383 7.411) 8.530 7.029 ( -7.100 -4.564 -3.690) 9.212 7.540 ( 42.715 -2.194 -0.795) 42.779 9.278 ( 8.386 -1.228 1.045) 8.540 10.086 ( 6.179 -3.128 -0.723) 6.963 10.337 ( -7.693 -2.857 0.307) 8.212 11.677 ( 25.143 -0.241 -1.977) 25.221 12.154 ( -19.375 0.813 2.338) 19.532 12.688 ( -4.098 -1.404 -0.382) 4.349 15.654 ( -15.707 6.759 0.125) 17.100======================= Grid point 506 (204/580) =======================q-point: (-0.28 -0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.627 ( 8.305 -3.716 -5.396) 10.578 4.751 ( 12.591 -5.253 3.026) 13.974 5.382 ( -2.211 3.893 10.615) 11.521 6.838 ( -8.338 -3.296 -5.264) 10.396 8.174 ( 36.845 -13.699 -1.109) 39.325 9.444 ( 11.549 1.566 0.767) 11.680 10.126 ( -6.940 -7.366 -0.360) 10.127 10.159 ( 3.912 -7.254 -0.213) 8.244 11.764 ( -18.282 3.761 2.971) 18.900 12.149 ( 21.484 -3.439 0.260) 21.759 12.606 ( -5.230 1.901 -2.310) 6.025 15.469 ( -15.751 11.259 1.257) 19.402======================= Grid point 507 (205/580) =======================q-point: (-0.22 -0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.684 ( 6.270 -5.854 -5.634) 10.262 4.849 ( 4.449 -8.565 2.235) 9.907 5.488 ( 6.108 4.877 12.213) 14.500 6.657 ( -8.201 -0.416 -6.544) 10.500 8.434 ( 17.401 -29.206 -1.598) 34.035 9.698 ( 4.052 4.454 1.622) 6.236 9.870 ( -0.964 -9.300 0.318) 9.355 10.166 ( 5.699 -12.313 -2.223) 13.749 11.624 ( -7.921 15.941 5.226) 18.552 12.288 ( 0.908 -15.714 1.467) 15.808 12.620 ( 4.824 7.697 -5.043) 10.390 15.368 ( -10.869 14.723 1.996) 18.409======================= Grid point 508 (206/580) =======================q-point: (-0.17 -0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.630 ( -1.135 -13.913 -3.042) 14.287 4.843 ( 3.377 -1.939 0.650) 3.948 5.732 ( 11.790 3.342 12.573) 17.557 6.512 ( -7.386 2.747 -8.005) 11.232 8.189 ( -4.940 -38.661 -1.173) 38.993 9.497 ( -6.833 -10.116 0.502) 12.218 10.091 ( 8.413 0.704 1.036) 8.506 10.113 ( 5.489 -5.485 -1.439) 7.891 11.824 ( 6.461 17.674 4.515) 19.352 12.010 ( -11.571 -15.102 -1.008) 19.052 12.754 ( 4.131 2.837 -2.833) 5.757 15.403 ( -3.741 15.799 1.740) 16.329======================= Grid point 509 (207/580) =======================q-point: (-0.11 -0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.406 ( -6.103 -14.532 -0.465) 15.768 4.909 ( 4.106 0.412 -0.855) 4.214 6.007 ( 11.818 2.050 12.999) 17.687 6.403 ( -6.309 4.350 -9.689) 12.354 7.573 ( -18.009 -38.908 -0.765) 42.880 9.352 ( -0.533 -8.293 0.355) 8.318 10.029 ( -0.329 -6.289 -0.338) 6.307 10.307 ( 5.719 5.096 0.427) 7.672 11.574 ( -14.651 -18.956 -0.708) 23.968 12.189 ( 9.623 15.956 1.648) 18.706 12.817 ( 2.183 2.096 -1.131) 3.231 15.540 ( 1.489 13.405 0.854) 13.514======================= Grid point 510 (208/580) =======================q-point: (-0.06 0.50 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.160 ( -6.588 -11.411 -0.000) 13.176 4.969 ( 1.212 2.100 -0.000) 2.425 6.222 ( 2.810 4.867 0.000) 5.620 6.335 ( 0.249 0.431 -0.000) 0.497 6.885 ( -18.130 -31.402 -0.000) 36.260 9.273 ( -2.392 -4.143 -0.000) 4.783 9.968 ( -1.697 -2.939 -0.000) 3.394 10.415 ( 2.173 3.764 -0.000) 4.347 11.163 ( -10.078 -17.455 -0.000) 20.155 12.429 ( 4.050 7.015 -0.000) 8.101 12.900 ( 3.259 5.644 0.000) 6.517 15.707 ( 4.813 8.336 -0.000) 9.625======================= Grid point 522 (209/580) =======================q-point: (-0.44 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.842 ( 0.000 0.163 0.479) 0.506 4.597 ( 0.000 -2.098 2.777) 3.480 5.350 ( 0.000 4.297 3.759) 5.709 6.133 ( -0.000 0.148 -0.209) 0.256 7.283 ( -0.000 -1.125 -2.732) 2.955 9.037 ( 0.000 1.162 1.059) 1.572 9.852 ( 0.000 0.382 0.329) 0.504 10.551 ( -0.000 -0.452 -0.387) 0.595 10.960 ( -0.000 -1.538 -1.176) 1.936 12.548 ( -0.000 0.958 -0.236) 0.987 12.958 ( 0.000 -0.407 0.491) 0.638 16.080 ( -0.000 0.973 -1.164) 1.517======================= Grid point 523 (210/580) =======================q-point: (-0.39 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.918 ( 8.725 -0.817 0.532) 8.779 4.585 ( 0.621 -2.822 1.343) 3.186 5.414 ( -0.450 4.743 8.930) 10.122 6.305 ( 21.368 -3.968 0.150) 21.734 7.231 ( -2.708 -1.969 -4.924) 5.954 9.070 ( 3.179 -1.264 2.144) 4.038 9.877 ( 5.065 -5.059 0.413) 7.171 10.524 ( -3.027 -0.088 -0.631) 3.093 11.024 ( 9.666 -0.032 -2.558) 9.999 12.556 ( -3.659 4.877 0.864) 6.158 12.864 ( -5.014 -7.806 0.116) 9.278 16.064 ( -6.613 7.610 -0.494) 10.094======================= Grid point 524 (211/580) =======================q-point: (-0.33 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.110 ( 14.636 -2.507 -0.232) 14.851 4.572 ( 1.713 -4.059 -0.109) 4.407 5.471 ( -1.857 3.821 12.210) 12.928 6.718 ( 30.511 -12.447 1.462) 32.985 7.158 ( 0.454 1.099 -7.571) 7.664 9.133 ( 6.118 -3.067 1.936) 7.112 9.913 ( 6.898 -9.012 -0.527) 11.361 10.429 ( -6.466 -2.459 0.217) 6.921 11.285 ( 19.586 1.664 -2.429) 19.806 12.429 ( -13.348 -4.957 3.450) 14.650 12.742 ( -2.742 1.733 -1.724) 3.674 15.998 ( -12.494 12.299 0.326) 17.536======================= Grid point 525 (212/580) =======================q-point: (-0.28 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.339 ( 15.499 -5.350 -2.429) 16.575 4.571 ( 4.449 -5.756 -0.448) 7.289 5.498 ( -2.968 2.597 13.748) 14.302 6.841 ( 1.675 -11.496 -2.884) 11.970 7.431 ( 30.985 -7.869 -4.359) 32.264 9.251 ( 10.484 -1.308 1.164) 10.629 9.927 ( 7.270 -12.171 -1.842) 14.296 10.246 ( -10.115 -6.942 1.324) 12.340 11.667 ( 23.088 -1.140 -1.263) 23.151 12.117 ( -14.789 -6.141 5.744) 17.013 12.738 ( -4.716 9.396 -3.518) 11.086 15.887 ( -16.133 15.154 1.437) 22.180======================= Grid point 526 (213/580) =======================q-point: (-0.22 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.471 ( 8.710 -8.307 -5.785) 13.354 4.626 ( 9.572 -8.834 0.976) 13.062 5.526 ( -0.494 2.331 14.113) 14.313 6.720 ( -3.185 -5.478 -4.590) 7.824 7.775 ( 25.318 -23.883 -3.454) 34.977 9.508 ( 17.203 3.995 1.164) 17.699 9.909 ( 3.268 -13.620 -1.601) 14.098 9.939 ( -9.913 -14.254 0.336) 17.365 11.902 ( -6.013 -2.698 7.180) 9.746 11.980 ( 13.089 -2.925 1.311) 13.476 12.737 ( -5.844 12.727 -6.430) 15.411 15.773 ( -15.739 17.262 2.689) 23.515======================= Grid point 527 (214/580) =======================q-point: (-0.17 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.460 ( 3.617 -12.471 -4.521) 13.750 4.687 ( 8.286 -9.086 -0.617) 12.313 5.642 ( 6.477 2.243 13.797) 15.406 6.609 ( -4.098 -1.247 -4.797) 6.431 7.772 ( 9.022 -34.096 -3.281) 35.421 9.530 ( -11.792 -16.078 0.971) 19.962 9.892 ( 8.358 -12.763 -1.837) 15.366 9.903 ( 16.884 5.570 1.063) 17.811 11.850 ( 1.338 -11.088 4.707) 12.120 12.068 ( -2.184 7.248 3.819) 8.479 12.769 ( -2.006 10.681 -7.389) 13.141 15.723 ( -11.591 18.520 3.462) 22.121======================= Grid point 528 (215/580) =======================q-point: (-0.11 -0.44 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.321 ( -1.761 -15.144 -1.666) 15.337 4.758 ( 9.270 -5.812 -2.992) 11.343 5.859 ( 11.201 0.815 13.926) 17.890 6.517 ( -4.779 0.683 -4.888) 6.870 7.412 ( -7.513 -35.679 -3.227) 36.604 9.256 ( -2.356 -13.222 0.811) 13.455 9.880 ( 6.792 -12.082 -1.082) 13.903 10.230 ( 10.741 6.521 1.345) 12.637 11.624 ( -9.517 -18.175 -0.309) 20.518 12.223 ( 4.145 15.092 4.891) 16.397 12.810 ( -0.358 5.272 -5.339) 7.512 15.756 ( -7.125 17.519 3.354) 19.208======================= Grid point 541 (216/580) =======================q-point: (-0.39 -0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.832 ( 0.000 -1.621 0.893) 1.851 4.549 ( -0.000 -3.904 0.001) 3.904 5.507 ( 0.000 5.336 13.968) 14.952 6.058 ( -0.000 -7.591 -0.005) 7.591 7.205 ( -0.000 -3.930 -6.663) 7.736 9.027 ( 0.000 -3.358 2.703) 4.311 9.754 ( 0.000 -10.159 0.863) 10.196 10.564 ( -0.000 2.033 -1.072) 2.298 10.925 ( -0.000 -0.560 -3.183) 3.232 12.648 ( 0.000 2.689 2.331) 3.559 12.808 ( -0.000 -7.546 -1.026) 7.615 16.227 ( 0.000 13.115 -0.117) 13.115======================= Grid point 542 (217/580) =======================q-point: (-0.33 -0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.884 ( 8.015 -3.008 0.504) 8.576 4.502 ( 0.416 -5.730 -1.571) 5.956 5.583 ( -1.810 3.449 16.238) 16.699 6.146 ( 19.816 -12.165 0.847) 23.267 7.128 ( -0.713 -4.523 -8.020) 9.235 9.020 ( 3.203 -4.744 1.997) 6.063 9.684 ( 5.272 -13.884 0.213) 14.853 10.524 ( -5.901 0.023 -0.398) 5.914 11.017 ( 11.805 -0.368 -2.543) 12.081 12.511 ( -6.348 -15.214 5.025) 17.234 12.841 ( -1.360 13.240 -3.135) 13.674 16.315 ( -7.010 16.275 0.424) 17.726======================= Grid point 543 (218/580) =======================q-point: (-0.28 -0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.029 ( 12.828 -5.471 -0.748) 13.966 4.444 ( 1.850 -8.158 -2.985) 8.882 5.612 ( -2.798 0.494 15.909) 16.161 6.407 ( 24.604 -19.162 1.590) 31.226 7.084 ( 4.921 -3.843 -8.327) 10.408 9.070 ( 7.848 -4.000 0.865) 8.851 9.646 ( 7.615 -16.330 -1.251) 18.062 10.358 ( -10.112 -6.055 0.787) 11.813 11.270 ( 18.991 -3.830 -1.383) 19.423 12.268 ( -8.712 -7.831 7.842) 14.097 12.935 ( -4.184 16.572 -5.023) 17.815 16.312 ( -12.992 17.621 1.381) 21.936======================= Grid point 544 (219/580) =======================q-point: (-0.22 -0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.180 ( 12.505 -9.112 -2.709) 15.707 4.398 ( 5.261 -10.571 -3.311) 12.263 5.601 ( -2.232 -1.910 14.077) 14.381 6.545 ( 12.747 -18.056 0.905) 22.121 7.181 ( 15.949 -12.246 -6.774) 21.218 9.241 ( 15.402 -1.939 0.425) 15.529 9.611 ( 8.403 -17.203 -2.399) 19.295 10.052 ( -14.431 -12.413 1.281) 19.078 11.520 ( 17.792 -13.024 0.232) 22.051 12.159 ( -5.898 7.460 10.617) 14.253 12.986 ( -7.339 17.519 -8.025) 20.620 16.241 ( -16.084 18.337 2.860) 24.559======================= Grid point 545 (220/580) =======================q-point: (-0.17 -0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.232 ( 7.077 -12.656 -3.991) 15.039 4.405 ( 9.891 -12.548 -2.835) 16.227 5.612 ( 2.351 -2.465 12.112) 12.581 6.542 ( 5.556 -13.218 1.045) 14.376 7.255 ( 13.054 -22.019 -5.864) 26.261 9.467 ( 7.997 -17.321 0.238) 19.079 9.583 ( 8.909 -16.998 -2.218) 19.319 9.748 ( -1.357 3.065 1.595) 3.712 11.592 ( 9.082 -18.815 1.970) 20.985 12.253 ( -2.177 14.917 10.758) 18.520 12.985 ( -9.011 16.567 -10.972) 21.818 16.162 ( -15.331 18.975 4.513) 24.808======================= Grid point 546 (221/580) =======================q-point: (-0.11 -0.39 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.159 ( 2.262 -15.163 -2.367) 15.513 4.469 ( 12.538 -11.237 -3.707) 17.240 5.719 ( 8.674 -2.634 11.002) 14.256 6.483 ( 2.698 -14.542 1.764) 14.895 7.146 ( 1.662 -20.862 -5.885) 21.740 9.193 ( -6.326 -17.994 1.307) 19.118 9.580 ( 10.265 -15.854 -1.464) 18.944 10.053 ( 17.026 7.373 1.027) 18.582 11.491 ( 1.492 -20.141 0.980) 20.220 12.394 ( -2.827 15.408 9.291) 18.214 12.946 ( -8.128 12.543 -11.251) 18.708 16.127 ( -12.438 18.748 5.578) 23.179======================= Grid point 560 (222/580) =======================q-point: (-0.33 -0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.782 ( 0.000 -3.967 0.506) 3.999 4.427 ( -0.000 -7.932 -2.862) 8.433 5.683 ( 0.000 0.945 17.843) 17.868 5.832 ( -0.000 -15.113 0.318) 15.117 7.048 ( -0.000 -6.983 -7.526) 10.266 8.939 ( 0.000 -6.679 0.950) 6.746 9.484 ( -0.000 -16.496 0.404) 16.501 10.608 ( -0.000 2.749 -0.651) 2.825 10.854 ( -0.000 -7.276 -1.864) 7.511 12.428 ( 0.000 -13.287 7.206) 15.115 13.008 ( -0.000 18.626 -4.500) 19.162 16.552 ( 0.000 18.149 0.653) 18.161======================= Grid point 561 (223/580) =======================q-point: (-0.28 -0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.798 ( 6.925 -5.944 -0.401) 9.135 4.321 ( 0.162 -11.058 -4.367) 11.890 5.680 ( -1.102 -5.373 13.277) 14.366 5.842 ( 16.193 -18.399 2.800) 24.669 6.967 ( 1.261 -6.569 -5.348) 8.564 8.899 ( 4.658 -9.187 -0.378) 10.307 9.357 ( 4.947 -18.044 -0.397) 18.714 10.485 ( -10.896 -5.031 0.034) 12.002 10.925 ( 14.299 -7.166 -1.117) 16.033 12.339 ( -3.139 -2.609 10.805) 11.551 13.166 ( -2.717 20.671 -6.811) 21.933 16.675 ( -7.215 18.456 1.316) 19.860======================= Grid point 562 (224/580) =======================q-point: (-0.22 -0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.876 ( 10.539 -9.363 -1.789) 14.211 4.199 ( 2.406 -13.986 -5.591) 15.253 5.626 ( -1.433 -8.394 10.605) 13.601 5.979 ( 22.669 -24.814 1.943) 33.666 6.938 ( 3.900 -5.837 -2.817) 7.564 8.925 ( 12.116 -14.060 -1.091) 18.592 9.283 ( 7.683 -18.433 -1.587) 20.033 10.197 ( -13.691 -7.988 0.957) 15.880 11.114 ( 15.712 -8.929 -0.017) 18.072 12.354 ( -3.069 8.851 14.083) 16.914 13.274 ( -6.333 21.265 -9.954) 24.319 16.687 ( -12.810 18.138 2.697) 22.369======================= Grid point 563 (225/580) =======================q-point: (-0.17 -0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.937 ( 10.067 -13.887 -2.675) 17.359 4.110 ( 6.690 -15.332 -5.797) 17.703 5.554 ( 1.537 -9.863 7.731) 12.626 6.100 ( 19.918 -27.828 2.577) 34.319 6.953 ( 5.180 -6.444 -1.894) 8.483 9.004 ( 18.008 -25.032 -1.213) 30.860 9.241 ( 9.139 -18.176 -2.081) 20.450 9.927 ( -12.106 2.711 1.923) 12.554 11.249 ( 11.449 -12.919 1.041) 17.294 12.481 ( -1.984 15.036 15.322) 21.558 13.305 ( -10.222 20.515 -13.581) 26.642 16.631 ( -15.194 17.934 4.800) 23.990======================= Grid point 564 (226/580) =======================q-point: (-0.11 -0.33 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.921 ( 6.618 -16.286 -2.406) 17.743 4.103 ( 12.317 -15.233 -4.645) 20.133 5.555 ( 7.259 -9.058 6.502) 13.305 6.109 ( 13.694 -30.248 2.492) 33.297 6.966 ( 3.292 -4.842 -1.877) 6.148 8.966 ( 9.705 -29.802 -0.068) 31.342 9.227 ( 10.540 -16.973 -1.490) 20.035 9.935 ( 3.894 11.638 1.549) 12.370 11.246 ( 4.728 -16.159 1.126) 16.874 12.644 ( -3.129 15.856 14.545) 21.743 13.249 ( -13.099 18.034 -16.426) 27.688 16.567 ( -14.531 17.756 6.985) 23.984======================= Grid point 579 (227/580) =======================q-point: (-0.28 -0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.670 ( -0.000 -7.452 -1.037) 7.524 4.178 ( -0.000 -14.842 -5.752) 15.918 5.467 ( -0.000 -21.481 0.911) 21.500 5.681 ( 0.000 -11.302 10.102) 15.158 6.882 ( -0.000 -5.993 -0.094) 5.994 8.720 ( -0.000 -17.923 -1.841) 18.018 9.129 ( -0.000 -18.538 -0.086) 18.538 10.596 ( -0.000 -14.247 -0.570) 14.259 10.664 ( 0.000 3.044 -0.015) 3.044 12.413 ( 0.000 5.053 14.408) 15.268 13.386 ( -0.000 22.899 -9.067) 24.629 16.925 ( 0.000 18.037 1.551) 18.104======================= Grid point 580 (228/580) =======================q-point: (-0.22 -0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.630 ( 5.674 -10.512 -2.384) 12.182 3.992 ( 0.701 -18.690 -7.247) 20.058 5.379 ( 14.481 -23.995 1.379) 28.060 5.554 ( 0.220 -17.712 4.589) 18.299 6.850 ( 1.267 -4.221 4.309) 6.163 8.535 ( 7.028 -29.441 -2.694) 30.387 8.986 ( 4.609 -18.292 -0.547) 18.871 10.360 ( -10.732 -3.466 0.722) 11.301 10.823 ( 11.138 -1.777 0.133) 11.280 12.534 ( -0.900 11.185 17.588) 20.862 13.557 ( -3.853 23.904 -11.863) 26.962 17.044 ( -6.977 16.993 2.483) 18.536======================= Grid point 581 (229/580) =======================q-point: (-0.17 -0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.616 ( 8.276 -15.846 -3.531) 18.222 3.818 ( 4.921 -19.790 -7.652) 21.781 5.389 ( 3.650 -18.348 1.444) 18.764 5.451 ( 19.969 -28.629 2.171) 34.972 6.860 ( 2.065 -2.891 5.545) 6.586 8.376 ( 15.857 -39.460 -2.823) 42.621 8.911 ( 7.429 -17.503 -1.075) 19.045 10.189 ( -11.226 6.953 1.766) 13.323 10.976 ( 9.616 -4.896 0.589) 10.807 12.706 ( -0.868 14.535 19.097) 24.015 13.648 ( -8.641 23.683 -15.178) 29.427 17.052 ( -11.830 15.988 4.438) 20.377======================= Grid point 582 (230/580) =======================q-point: (-0.11 -0.28 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.579 ( 10.515 -20.205 -3.453) 23.038 3.733 ( 9.372 -18.506 -5.768) 21.531 5.307 ( 7.976 -17.514 1.953) 19.343 5.510 ( 18.997 -30.423 0.846) 35.877 6.894 ( 2.468 -1.375 4.597) 5.396 8.294 ( 22.875 -42.000 -2.095) 47.871 8.884 ( 9.264 -16.071 -1.114) 18.584 10.129 ( -8.079 13.603 2.108) 15.961 11.040 ( 4.872 -8.487 0.762) 9.816 12.892 ( -1.832 14.959 18.232) 23.655 13.633 ( -13.716 22.056 -18.416) 31.839 17.002 ( -13.571 15.418 7.196) 21.764======================= Grid point 598 (231/580) =======================q-point: (-0.22 -0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.454 ( -0.000 -13.406 -3.814) 13.938 3.748 ( -0.000 -23.866 -9.299) 25.614 5.009 ( 0.000 -24.346 1.932) 24.422 5.347 ( -0.000 -23.926 -0.561) 23.932 6.826 ( 0.000 -3.170 9.181) 9.713 8.096 ( -0.000 -42.879 -3.760) 43.044 8.767 ( -0.000 -17.179 -0.043) 17.179 10.457 ( 0.000 1.604 1.011) 1.896 10.731 ( 0.000 3.664 0.303) 3.676 12.719 ( 0.000 12.771 20.713) 24.333 13.801 ( -0.000 25.565 -13.795) 29.049 17.274 ( 0.000 15.327 2.665) 15.557======================= Grid point 599 (232/580) =======================q-point: (-0.17 -0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.321 ( 3.993 -19.225 -5.638) 20.429 3.489 ( 3.837 -25.820 -10.006) 27.956 4.889 ( 12.463 -24.782 2.097) 27.819 5.108 ( 3.228 -26.838 -2.170) 27.118 6.832 ( 1.034 -3.566 10.751) 11.374 7.691 ( 9.110 -49.702 -4.567) 50.736 8.641 ( 4.184 -15.700 -0.090) 16.249 10.440 ( -7.145 9.530 1.568) 12.013 10.829 ( 5.682 1.622 0.387) 5.921 12.916 ( -0.022 13.485 22.417) 26.161 13.972 ( -5.208 26.050 -15.915) 30.968 17.371 ( -6.282 13.607 3.815) 15.465======================= Grid point 600 (233/580) =======================q-point: (-0.11 -0.22 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.162 ( 8.370 -26.424 -7.125) 28.619 3.348 ( 9.774 -22.747 -6.570) 25.615 4.903 ( 15.690 -26.575 2.418) 30.956 4.947 ( 10.540 -24.830 -2.924) 27.132 6.859 ( 2.980 -4.092 10.358) 11.529 7.428 ( 19.924 -48.903 -5.244) 53.066 8.590 ( 6.944 -13.991 -0.335) 15.623 10.426 ( -8.548 13.648 1.885) 16.214 10.917 ( 3.721 -1.567 0.434) 4.061 13.113 ( -0.646 13.202 21.139) 24.931 14.034 ( -11.420 25.027 -17.920) 32.832 17.369 ( -10.087 12.376 6.273) 17.154======================= Grid point 617 (234/580) =======================q-point: (-0.17 -0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.062 ( -0.000 -23.135 -6.951) 24.157 3.119 ( -0.000 -31.922 -13.193) 34.541 4.561 ( 0.000 -21.104 2.903) 21.302 4.765 ( -0.000 -32.645 -3.543) 32.836 6.754 ( 0.000 -24.780 13.322) 28.134 7.133 ( -0.000 -34.464 -6.309) 35.036 8.458 ( -0.000 -13.701 0.448) 13.708 10.612 ( 0.000 10.837 1.463) 10.935 10.813 ( 0.000 4.326 0.267) 4.334 13.115 ( 0.000 12.304 24.766) 27.654 14.238 ( -0.000 27.227 -16.256) 31.711 17.560 ( 0.000 11.205 3.610) 11.772======================= Grid point 618 (235/580) =======================q-point: (-0.11 -0.17 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.737 ( 2.773 -32.769 -11.679) 34.898 2.898 ( 9.865 -28.313 -8.223) 31.090 4.456 ( 9.123 -20.360 1.474) 22.359 4.480 ( 8.115 -33.506 -2.266) 34.549 6.434 ( 13.093 -55.328 5.753) 57.146 6.987 ( 0.208 -3.397 0.202) 3.410 8.368 ( 3.854 -11.687 0.458) 12.315 10.680 ( -4.993 11.955 1.346) 13.026 10.879 ( 1.879 2.958 0.231) 3.511 13.309 ( -0.062 11.346 24.064) 26.605 14.402 ( -6.813 26.705 -16.317) 32.028 17.626 ( -5.101 9.213 4.699) 11.532======================= Grid point 636 (236/580) =======================q-point: (-0.11 -0.11 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.342 ( -0.000 -36.496 -15.427) 39.623 2.447 ( -0.000 -33.203 -8.419) 34.254 3.994 ( -0.000 -43.801 -2.339) 43.863 4.223 ( 0.000 -14.394 2.503) 14.610 5.735 ( -0.000 -59.199 2.379) 59.247 6.998 ( 0.000 1.550 3.060) 3.430 8.230 ( 0.000 -9.568 0.949) 9.615 10.835 ( 0.000 9.662 0.825) 9.697 10.904 ( 0.000 4.496 0.066) 4.496 13.490 ( 0.000 9.809 25.300) 27.135 14.685 ( -0.000 26.633 -14.215) 30.189 17.759 ( 0.000 6.495 3.451) 7.354======================= Grid point 695 (237/580) =======================q-point: ( 0.11 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 580Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.677 ( 0.000 -0.000 36.641) 36.641 0.677 ( 0.000 -0.000 36.641) 36.641 1.393 ( 0.000 -0.000 75.969) 75.969 3.792 ( -0.000 0.000 -5.152) 5.152 3.792 ( -0.000 0.000 -5.152) 5.152 7.979 ( 0.000 -0.000 0.346) 0.346 7.979 ( 0.000 -0.000 0.346) 0.346 8.815 ( -0.000 0.000 -17.432) 17.432 11.068 ( -0.000 0.000 -0.360) 0.360 11.068 ( -0.000 0.000 -0.360) 0.360 15.639 ( 0.000 -0.000 3.795) 3.795 17.807 ( -0.000 0.000 -0.681) 0.681======================= Grid point 696 (238/580) =======================q-point: ( 0.17 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.068 ( 24.638 14.225 23.223) 36.724 1.348 ( 21.840 12.609 37.949) 45.564 2.114 ( 44.782 25.855 46.850) 69.777 3.818 ( 3.736 2.157 -5.795) 7.224 3.988 ( 18.467 10.662 -6.212) 22.210 7.148 ( -10.874 -6.278 1.803) 12.685 8.020 ( 2.893 1.671 0.880) 3.455 11.028 ( -0.396 -0.229 -3.304) 3.335 11.042 ( -2.001 -1.155 -0.504) 2.364 11.965 ( 96.090 55.478 -110.089) 156.303 15.643 ( -3.561 -2.056 7.490) 8.544 17.675 ( -7.211 -4.163 -7.129) 10.961======================= Grid point 697 (239/580) =======================q-point: ( 0.22 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.769 ( 29.490 17.026 13.967) 36.805 1.906 ( 19.306 11.146 33.823) 40.509 3.345 ( 46.375 26.775 26.634) 59.807 3.933 ( 7.928 4.577 -6.157) 11.033 4.615 ( 38.148 22.025 -6.775) 44.568 7.000 ( -3.565 -2.058 -6.423) 7.629 8.118 ( 5.383 3.108 1.178) 6.327 10.955 ( -4.923 -2.842 -2.141) 6.075 10.977 ( -3.322 -1.918 -0.597) 3.882 12.933 ( 25.586 14.772 -58.654) 65.675 15.463 ( -15.271 -8.817 18.290) 25.406 17.497 ( -4.970 -2.869 -18.980) 19.828======================= Grid point 698 (240/580) =======================q-point: ( 0.28 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.460 ( 26.582 15.347 9.355) 32.089 2.471 ( 22.494 12.987 21.737) 33.869 4.156 ( 13.264 7.658 -5.860) 16.398 4.301 ( 31.426 18.144 16.812) 39.993 5.667 ( 51.505 29.736 -5.779) 59.753 6.932 ( 0.278 0.160 -7.265) 7.272 8.277 ( 8.169 4.716 1.207) 9.510 10.786 ( -8.860 -5.115 -3.042) 10.674 10.892 ( -3.745 -2.162 -0.596) 4.366 13.124 ( 5.902 3.408 -32.766) 33.468 15.081 ( -22.781 -13.152 24.505) 35.951 17.311 ( -6.036 -3.485 -22.960) 23.994======================= Grid point 699 (241/580) =======================q-point: ( 0.33 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.017 ( 19.435 11.221 5.649) 23.142 3.069 ( 24.719 14.272 12.160) 31.026 4.515 ( 19.043 10.995 -4.438) 22.433 4.945 ( 21.545 12.439 9.792) 26.735 6.634 ( 22.545 13.016 -15.174) 30.132 7.160 ( 30.356 17.526 4.202) 35.303 8.503 ( 11.128 6.424 1.004) 12.888 10.556 ( -9.176 -5.298 -3.376) 11.120 10.807 ( -3.351 -1.935 -0.462) 3.897 13.073 ( -2.506 -1.447 -21.701) 21.893 14.588 ( -26.102 -15.070 24.843) 39.059 17.074 ( -8.755 -5.055 -20.358) 22.730======================= Grid point 700 (242/580) =======================q-point: ( 0.39 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.393 ( 12.545 7.243 2.474) 14.696 3.669 ( 24.578 14.190 6.416) 29.097 4.979 ( 21.252 12.270 -2.578) 24.674 5.361 ( 13.294 7.675 1.932) 15.472 6.843 ( 6.895 3.981 -9.049) 12.053 8.022 ( 32.886 18.987 1.987) 38.026 8.793 ( 13.748 7.937 0.621) 15.887 10.425 ( 0.789 0.456 -1.886) 2.095 10.738 ( -2.637 -1.523 -0.168) 3.050 12.901 ( -6.852 -3.956 -16.724) 18.501 14.045 ( -26.623 -15.371 20.720) 37.072 16.792 ( -10.931 -6.311 -14.453) 19.189======================= Grid point 701 (243/580) =======================q-point: ( 0.44 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.632 ( 8.152 4.706 0.497) 9.426 4.222 ( 21.612 12.478 3.806) 25.244 5.438 ( 18.461 10.658 -1.300) 21.356 5.595 ( 8.474 4.893 -7.477) 12.315 6.947 ( 2.564 1.480 -0.778) 3.061 8.549 ( 13.945 8.051 -0.723) 16.119 9.131 ( 15.143 8.743 0.107) 17.486 10.629 ( 15.216 8.785 0.894) 17.593 10.682 ( -2.325 -1.342 0.266) 2.698 12.687 ( -6.875 -3.969 -12.725) 14.998 13.511 ( -23.438 -13.532 13.572) 30.276 16.492 ( -11.937 -6.892 -7.949) 15.911======================= Grid point 702 (244/580) =======================q-point: ( 0.50 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.784 ( 5.178 2.990 -0.487) 5.999 4.669 ( 15.894 9.176 2.817) 18.568 5.733 ( 7.065 4.079 -16.458) 18.369 5.801 ( 12.964 7.485 -0.535) 14.979 6.932 ( -4.399 -2.540 7.128) 8.753 8.796 ( 10.107 5.835 -1.708) 11.795 9.475 ( 14.311 8.262 -0.451) 16.531 10.625 ( -2.857 -1.649 0.747) 3.382 10.941 ( 7.306 4.218 2.503) 8.799 12.558 ( -1.146 -0.661 -7.082) 7.204 13.099 ( -13.255 -7.653 5.324) 16.205 16.205 ( -11.322 -6.537 -2.765) 13.363======================= Grid point 703 (245/580) =======================q-point: ( 0.56 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.872 ( 2.675 1.544 -0.869) 3.208 4.944 ( 6.884 3.975 0.109) 7.950 5.845 ( 8.457 4.883 -20.843) 23.017 6.026 ( 6.659 3.844 -0.005) 7.689 6.824 ( -6.949 -4.012 13.537) 15.737 9.029 ( 9.857 5.691 -2.232) 11.599 9.763 ( 10.192 5.885 -0.874) 11.802 10.553 ( -3.453 -1.994 1.084) 4.132 10.933 ( -6.495 -3.750 3.083) 8.109 12.532 ( -1.476 -0.852 -1.319) 2.155 12.995 ( 2.669 1.541 -0.783) 3.180 15.978 ( -7.328 -4.231 0.569) 8.481======================= Grid point 704 (246/580) =======================q-point: (-0.39 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.903 ( 0.257 0.148 -0.869) 0.918 4.969 ( -3.570 -2.061 -5.547) 6.912 6.032 ( 12.685 7.324 -18.280) 23.425 6.107 ( 0.242 0.140 0.380) 0.472 6.707 ( -7.208 -4.162 17.118) 19.035 9.171 ( 1.617 0.934 -1.838) 2.620 9.898 ( 0.728 0.420 -0.711) 1.101 10.498 ( -0.841 -0.485 0.824) 1.273 10.809 ( -2.402 -1.387 2.179) 3.527 12.517 ( 1.306 0.754 0.465) 1.578 13.050 ( -0.588 -0.339 -1.788) 1.912 15.910 ( 1.668 0.963 2.796) 3.395======================= Grid point 705 (247/580) =======================q-point: (-0.33 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.878 ( -2.245 -1.296 -0.583) 2.657 4.791 ( -9.369 -5.409 -7.431) 13.124 6.040 ( -6.194 -3.576 0.596) 7.177 6.231 ( 4.919 2.840 -14.257) 15.347 6.636 ( -0.651 -0.376 16.371) 16.388 9.085 ( -7.670 -4.429 0.558) 8.875 9.782 ( -9.844 -5.683 -0.009) 11.366 10.529 ( 2.873 1.659 0.010) 3.318 10.852 ( 4.020 2.321 -0.699) 4.694 12.609 ( 6.139 3.545 2.529) 7.527 12.927 ( -7.941 -4.585 -4.055) 10.027 16.076 ( 11.267 6.505 4.932) 13.913======================= Grid point 706 (248/580) =======================q-point: (-0.28 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.794 ( -5.023 -2.900 -0.022) 5.800 4.509 ( -13.388 -7.729 -5.406) 16.377 5.825 ( -12.489 -7.211 0.606) 14.434 6.102 ( -11.575 -6.683 -0.621) 13.380 6.794 ( 8.282 4.782 2.465) 9.876 8.887 ( -9.263 -5.348 2.901) 11.083 9.489 ( -14.841 -8.569 0.196) 17.138 10.601 ( 3.127 1.805 -0.340) 3.627 10.854 ( -5.961 -3.441 -1.658) 7.080 12.770 ( 1.408 0.813 -7.166) 7.349 12.819 ( 8.462 4.885 2.623) 10.117 16.421 ( 16.306 9.414 6.857) 20.038======================= Grid point 707 (249/580) =======================q-point: (-0.22 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.641 ( -8.522 -4.920 0.905) 9.882 4.132 ( -18.742 -10.821 -1.283) 21.680 5.475 ( -17.800 -10.277 0.377) 20.557 5.767 ( -17.234 -9.950 2.217) 20.023 6.935 ( 3.517 2.031 -2.533) 4.787 8.635 ( -16.263 -9.389 3.630) 19.127 9.128 ( -16.003 -9.239 -0.016) 18.479 10.597 ( -12.127 -7.001 -0.581) 14.015 10.669 ( 2.870 1.657 -0.340) 3.332 12.881 ( 11.518 6.650 -18.774) 23.008 13.118 ( 14.692 8.483 10.600) 20.005 16.837 ( 17.262 9.966 7.631) 21.343======================= Grid point 708 (250/580) =======================q-point: (-0.17 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.395 ( -13.686 -7.901 2.455) 15.992 3.632 ( -24.879 -14.364 3.710) 28.966 5.029 ( -20.202 -11.664 -0.201) 23.329 5.321 ( -22.113 -12.767 1.311) 25.567 6.960 ( 0.325 0.188 -4.619) 4.634 8.030 ( -37.709 -21.772 3.022) 43.648 8.771 ( -14.610 -8.435 -0.413) 16.875 10.466 ( 1.870 1.080 0.047) 2.160 10.736 ( 3.161 1.825 -0.224) 3.657 13.110 ( 12.624 7.289 -20.359) 25.040 13.561 ( 20.537 11.857 11.201) 26.226 17.239 ( 15.355 8.865 6.422) 18.857======================= Grid point 709 (251/580) =======================q-point: (-0.11 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.007 ( -21.226 -12.255 4.954) 25.005 3.018 ( -29.675 -17.133 8.867) 35.394 4.580 ( -17.840 -10.300 -1.265) 20.639 4.745 ( -28.449 -16.425 0.661) 32.857 6.868 ( -24.982 -14.423 -11.724) 31.138 7.068 ( -25.887 -14.946 8.056) 30.959 8.464 ( -11.721 -6.767 -0.793) 13.557 10.620 ( 9.528 5.501 -0.334) 11.006 10.815 ( 3.706 2.140 -0.112) 4.281 13.325 ( 11.200 6.466 -20.225) 24.006 14.107 ( 23.319 13.463 11.557) 29.302 17.564 ( 11.205 6.469 2.782) 13.234======================= Grid point 714 (252/580) =======================q-point: ( 0.17 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.302 ( 0.000 30.051 27.123) 40.482 1.449 ( 0.000 37.454 28.134) 46.844 2.186 ( 0.000 36.791 55.811) 66.846 3.795 ( -0.000 4.083 -7.003) 8.107 3.972 ( -0.000 21.624 -6.723) 22.645 7.142 ( 0.000 -15.711 1.316) 15.766 7.994 ( 0.000 2.124 0.028) 2.124 11.037 ( -0.000 -0.755 -2.230) 2.354 11.045 ( -0.000 -2.109 -0.382) 2.143 11.613 ( -0.000 113.456 -101.222) 152.047 15.662 ( 0.000 -3.320 7.157) 7.889 17.681 ( -0.000 -6.993 -6.552) 9.583======================= Grid point 715 (253/580) =======================q-point: ( 0.22 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.744 ( 8.811 32.819 20.341) 39.604 1.959 ( 7.982 23.629 35.117) 43.072 3.066 ( 31.750 40.754 33.413) 61.525 3.869 ( 4.687 7.044 -7.310) 11.181 4.375 ( 18.275 32.759 -7.569) 38.267 6.996 ( -2.427 -5.976 -6.213) 8.956 8.067 ( 4.363 3.388 0.480) 5.544 10.983 ( -2.892 -3.846 -2.011) 5.215 10.999 ( -1.897 -2.612 -0.523) 3.271 12.487 ( 26.983 39.706 -69.650) 84.592 15.582 ( -5.663 -11.622 14.173) 19.184 17.530 ( -6.366 -2.764 -15.057) 16.580======================= Grid point 716 (254/580) =======================q-point: ( 0.28 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.324 ( 15.529 25.877 18.031) 35.155 2.445 ( 11.565 23.476 24.667) 35.963 4.010 ( 21.428 19.587 8.685) 30.302 4.083 ( 16.777 18.485 4.776) 25.416 5.224 ( 37.491 42.166 -6.302) 56.774 6.904 ( -0.571 -1.727 -9.002) 9.184 8.207 ( 6.477 5.585 0.846) 8.595 10.841 ( -6.230 -7.465 -2.953) 10.162 10.932 ( -2.785 -1.921 -0.560) 3.430 12.889 ( 13.616 9.094 -40.808) 43.971 15.312 ( -13.966 -18.592 21.996) 32.008 17.338 ( -7.477 -0.660 -21.939) 23.187======================= Grid point 717 (255/580) =======================q-point: ( 0.33 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.869 ( 16.091 18.920 14.412) 28.716 2.969 ( 14.334 22.867 13.501) 30.177 4.370 ( 13.589 17.828 -5.606) 23.107 4.743 ( 21.938 16.654 11.982) 30.037 6.283 ( 34.955 31.559 -11.001) 48.362 6.966 ( 11.683 10.943 -2.148) 16.151 8.409 ( 8.724 8.111 0.979) 11.953 10.610 ( -8.190 -10.383 -3.671) 13.724 10.867 ( -3.409 0.286 -0.615) 3.476 12.966 ( 4.117 -1.917 -25.650) 26.049 14.885 ( -19.955 -21.174 24.528) 38.055 17.118 ( -8.696 -2.477 -21.795) 23.596======================= Grid point 718 (256/580) =======================q-point: ( 0.39 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.314 ( 11.158 14.914 5.884) 19.534 3.483 ( 17.756 18.997 10.103) 27.897 4.822 ( 16.365 22.033 -3.405) 27.656 5.219 ( 14.677 10.277 4.339) 18.435 6.718 ( 9.499 6.533 -12.757) 17.194 7.697 ( 33.677 30.846 3.592) 45.810 8.676 ( 10.981 10.541 0.922) 15.250 10.378 ( -3.458 -10.206 -3.076) 11.206 10.824 ( -3.701 4.050 -0.559) 5.515 12.869 ( -1.865 -6.628 -18.723) 19.949 14.367 ( -23.368 -20.956 21.853) 38.246 16.858 ( -9.775 -5.701 -16.637) 20.121======================= Grid point 719 (257/580) =======================q-point: ( 0.44 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.601 ( 5.818 12.044 2.089) 13.538 4.010 ( 19.661 15.395 6.335) 25.762 5.306 ( 14.764 19.183 -1.899) 24.281 5.501 ( 8.392 9.245 -4.815) 13.382 6.890 ( 6.682 5.035 -3.928) 9.243 8.419 ( 16.977 19.539 0.739) 25.894 8.999 ( 12.588 12.346 0.675) 17.645 10.350 ( 11.371 -6.580 -0.886) 13.168 10.831 ( -2.810 10.546 -0.110) 10.915 12.684 ( -4.340 -7.994 -14.748) 17.328 13.811 ( -23.922 -18.699 15.759) 34.209 16.573 ( -10.041 -8.680 -9.800) 16.499======================= Grid point 720 (258/580) =======================q-point: ( 0.50 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.785 ( 2.497 10.350 0.296) 10.651 4.485 ( 17.474 11.135 4.070) 21.116 5.584 ( 8.101 2.514 -11.845) 14.568 5.790 ( 7.460 22.531 -2.661) 23.883 6.988 ( -0.389 2.005 4.082) 4.565 8.731 ( 6.073 10.711 -0.979) 12.351 9.348 ( 12.581 12.859 0.278) 17.993 10.507 ( 10.213 -7.845 0.183) 12.880 10.975 ( 2.605 16.301 1.484) 16.574 12.514 ( -1.079 -6.219 -10.272) 12.057 13.300 ( -19.242 -13.726 8.326) 25.060 16.286 ( -9.395 -10.492 -3.896) 14.613======================= Grid point 721 (259/580) =======================q-point: ( 0.56 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.901 ( -0.120 8.987 -0.581) 9.007 4.834 ( 11.243 5.708 1.786) 12.735 5.682 ( 7.514 2.450 -19.145) 20.712 6.090 ( 1.986 20.923 -0.415) 21.021 6.946 ( -6.521 -1.267 10.346) 12.295 8.940 ( 7.729 9.336 -1.768) 12.248 9.670 ( 10.022 11.190 -0.196) 15.024 10.529 ( 2.039 -6.559 0.433) 6.882 11.091 ( -7.110 8.068 2.639) 11.073 12.488 ( 4.281 -3.259 -4.037) 6.727 12.987 ( -5.553 -5.454 1.292) 7.890 16.030 ( -6.920 -10.142 -0.020) 12.278======================= Grid point 722 (260/580) =======================q-point: ( 0.61 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.958 ( -2.500 7.539 -0.912) 7.995 4.962 ( 0.840 -0.955 -3.671) 3.885 5.823 ( 11.577 5.119 -18.529) 22.440 6.266 ( -4.978 19.475 0.444) 20.106 6.832 ( -7.423 -3.917 14.243) 16.532 9.139 ( 5.032 6.348 -2.392) 8.446 9.883 ( 3.853 5.973 -0.413) 7.120 10.491 ( 0.276 -3.735 0.878) 3.846 10.966 ( -11.929 5.386 2.874) 13.401 12.496 ( 1.363 -2.058 -0.365) 2.496 12.981 ( 4.830 -2.790 -1.696) 5.830 15.878 ( -0.292 -6.496 2.211) 6.869======================= Grid point 723 (261/580) =======================q-point: (-0.33 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.960 ( -4.799 5.857 -0.854) 7.620 4.854 ( -6.688 -4.871 -7.305) 11.037 6.032 ( 10.493 3.464 -14.792) 18.464 6.314 ( -11.239 19.120 -1.549) 22.233 6.715 ( -4.932 -5.516 17.065) 18.600 9.171 ( -4.626 0.121 -1.199) 4.781 9.895 ( -6.037 -0.237 -0.097) 6.043 10.484 ( 1.841 -1.624 0.662) 2.542 10.913 ( -3.565 10.649 1.073) 11.281 12.540 ( 4.959 0.612 1.198) 5.138 12.949 ( -2.731 -8.002 -2.754) 8.893 15.934 ( 9.942 -0.694 3.907) 10.705======================= Grid point 724 (262/580) =======================q-point: (-0.28 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.904 ( -7.145 3.908 -0.445) 8.157 4.623 ( -10.583 -6.737 -6.343) 14.058 6.052 ( -7.997 1.175 -4.098) 9.062 6.231 ( -13.341 6.354 -4.986) 15.596 6.732 ( 4.562 2.000 10.435) 11.563 9.025 ( -9.507 -1.758 1.450) 9.776 9.685 ( -14.645 -4.106 0.223) 15.212 10.516 ( 3.589 -3.521 -0.013) 5.028 10.985 ( -4.164 11.039 -0.970) 11.838 12.680 ( 8.048 -0.818 2.306) 8.412 12.774 ( -2.824 -4.432 -5.323) 7.480 16.209 ( 17.631 3.433 5.447) 18.770======================= Grid point 725 (263/580) =======================q-point: (-0.22 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.785 ( -9.841 1.648 0.354) 9.984 4.315 ( -14.741 -8.721 -2.905) 17.372 5.801 ( -21.240 2.070 0.409) 21.345 5.965 ( -16.065 -5.074 -1.053) 16.880 6.876 ( 4.983 2.596 0.370) 5.630 8.842 ( -12.266 -0.895 3.191) 12.706 9.348 ( -17.832 -5.751 0.243) 18.737 10.491 ( 0.972 -11.431 -0.366) 11.478 10.917 ( -12.996 8.810 -0.532) 15.710 12.701 ( 7.825 0.719 -14.603) 16.583 12.960 ( 13.887 4.472 8.074) 16.674 16.606 ( 20.442 4.937 6.057) 21.885======================= Grid point 726 (264/580) =======================q-point: (-0.17 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.591 ( -13.627 -1.279 1.701) 13.792 3.913 ( -20.591 -10.618 1.834) 23.240 5.388 ( -27.201 0.198 0.425) 27.205 5.582 ( -20.006 -9.044 0.554) 21.962 6.933 ( 1.239 0.104 -4.014) 4.202 8.478 ( -29.670 -8.315 3.187) 30.978 8.980 ( -17.653 -5.591 0.077) 18.517 10.369 ( 2.632 -10.415 -0.259) 10.745 10.826 ( -6.842 8.912 -0.229) 11.238 12.887 ( 13.599 6.090 -20.517) 25.357 13.335 ( 19.838 6.156 12.395) 24.189 17.022 ( 19.605 4.613 4.854) 20.717======================= Grid point 727 (265/580) =======================q-point: (-0.11 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.274 ( -20.550 -7.264 4.415) 22.239 3.414 ( -26.012 -9.191 6.543) 28.353 4.902 ( -26.933 -1.686 -0.772) 26.997 5.092 ( -25.932 -10.472 1.190) 27.992 6.917 ( -0.920 -0.517 -7.738) 7.810 7.652 ( -49.127 -17.296 3.953) 52.232 8.642 ( -15.408 -4.346 -0.247) 16.011 10.450 ( 12.010 -1.156 -0.640) 12.082 10.832 ( -1.459 5.766 -0.247) 5.952 13.118 ( 12.707 6.461 -21.600) 25.880 13.833 ( 24.589 7.648 14.114) 29.365 17.382 ( 16.061 2.898 1.326) 16.374======================= Grid point 733 (266/580) =======================q-point: ( 0.22 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.082 ( 0.000 32.337 20.551) 38.315 2.266 ( 0.000 27.515 32.430) 42.530 3.337 ( 0.000 46.057 30.631) 55.313 3.874 ( -0.000 8.823 -8.797) 12.460 4.585 ( -0.000 44.459 -7.250) 45.046 6.932 ( -0.000 -5.509 -7.966) 9.685 8.069 ( 0.000 5.568 0.081) 5.568 10.954 ( -0.000 -6.033 -2.191) 6.418 10.982 ( -0.000 -3.799 -0.461) 3.827 12.468 ( -0.000 35.406 -58.703) 68.554 15.534 ( 0.000 -16.811 15.754) 23.039 17.517 ( -0.000 -1.927 -17.078) 17.186======================= Grid point 734 (267/580) =======================q-point: ( 0.28 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.500 ( 5.196 29.705 18.914) 35.597 2.655 ( 3.392 26.280 27.426) 38.136 3.979 ( 11.947 28.168 10.363) 32.304 4.034 ( 11.258 19.170 1.610) 22.289 5.208 ( 17.372 52.967 -6.306) 56.099 6.863 ( -0.024 -1.533 -9.585) 9.707 8.175 ( 4.389 7.414 0.416) 8.626 10.839 ( -3.956 -8.954 -3.070) 10.259 10.935 ( -0.681 -3.326 -0.512) 3.433 12.669 ( 9.187 13.657 -40.625) 43.832 15.337 ( -6.081 -23.072 19.947) 31.099 17.396 ( -5.906 0.047 -20.603) 21.433======================= Grid point 735 (268/580) =======================q-point: ( 0.33 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.934 ( 7.625 23.129 17.609) 30.052 3.079 ( 7.293 25.945 17.049) 31.891 4.329 ( 12.394 21.117 -6.637) 25.369 4.621 ( 17.209 21.483 11.927) 29.999 6.088 ( 25.291 42.123 -9.772) 50.095 6.911 ( 6.998 11.986 -4.375) 14.552 8.364 ( 7.146 9.853 0.873) 12.202 10.622 ( -7.462 -12.030 -3.849) 14.670 10.900 ( -0.588 -0.829 -0.624) 1.193 12.770 ( 6.682 -0.533 -27.017) 27.836 14.994 ( -12.015 -26.302 22.317) 36.527 17.197 ( -9.341 -0.876 -20.923) 22.930======================= Grid point 736 (269/580) =======================q-point: ( 0.39 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.332 ( 9.056 18.646 10.946) 23.442 3.502 ( 8.781 22.188 11.917) 26.673 4.798 ( 14.564 27.050 -3.881) 30.966 5.093 ( 14.516 13.252 4.217) 20.103 6.586 ( 10.356 10.720 -14.085) 20.507 7.523 ( 27.815 39.424 3.893) 48.405 8.622 ( 9.239 12.667 1.278) 15.731 10.343 ( -7.492 -13.628 -3.802) 16.010 10.901 ( -0.471 3.674 -0.876) 3.807 12.732 ( 2.161 -7.746 -19.471) 21.066 14.546 ( -16.768 -26.252 21.098) 37.622 16.934 ( -11.051 -4.476 -17.320) 21.027======================= Grid point 737 (270/580) =======================q-point: ( 0.44 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.661 ( 5.731 16.190 4.823) 17.839 3.917 ( 12.610 18.020 9.322) 23.888 5.253 ( 10.620 14.354 -2.329) 18.007 5.464 ( 12.373 21.377 -4.430) 25.093 6.806 ( 8.907 8.734 -5.559) 13.658 8.357 ( 20.711 32.433 2.073) 38.538 8.939 ( 10.745 14.984 1.465) 18.497 10.133 ( 1.731 -12.116 -2.509) 12.493 10.960 ( 0.086 10.023 -0.949) 10.068 12.590 ( -1.144 -10.553 -15.418) 18.718 14.033 ( -19.886 -23.753 16.697) 35.192 16.630 ( -11.057 -8.969 -11.465) 18.280======================= Grid point 738 (271/580) =======================q-point: ( 0.50 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.889 ( 1.562 15.257 1.881) 15.451 4.340 ( 14.670 13.325 6.646) 20.903 5.438 ( 7.018 1.414 -10.136) 12.409 5.913 ( 8.784 29.459 -3.418) 30.930 7.015 ( 4.410 8.571 2.400) 9.933 8.802 ( 2.506 18.610 -0.161) 18.778 9.292 ( 11.216 16.061 1.487) 19.646 10.192 ( 15.188 -8.212 -0.798) 17.285 11.112 ( 2.186 16.724 -0.107) 16.867 12.416 ( -1.174 -10.359 -12.049) 15.934 13.510 ( -19.713 -18.930 10.606) 29.316 16.314 ( -9.625 -12.761 -5.582) 16.931======================= Grid point 739 (272/580) =======================q-point: ( 0.56 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.039 ( -1.650 14.464 0.369) 14.563 4.703 ( 12.262 7.841 3.991) 15.091 5.519 ( 6.875 0.494 -16.308) 17.704 6.293 ( 3.605 25.847 -0.690) 26.107 7.108 ( -5.331 8.318 7.094) 12.163 8.962 ( 1.419 12.954 -1.129) 13.080 9.635 ( 9.483 14.897 1.227) 17.702 10.350 ( 10.396 -7.702 -0.581) 12.951 11.310 ( -2.221 16.293 1.591) 16.520 12.316 ( 5.216 -8.381 -7.511) 12.404 13.084 ( -13.176 -11.332 4.278) 17.897 16.021 ( -6.900 -14.442 -1.225) 16.053======================= Grid point 740 (273/580) =======================q-point: ( 0.61 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.124 ( -4.422 13.280 -0.432) 14.004 4.906 ( 4.662 1.009 -0.827) 4.841 5.624 ( 9.959 3.305 -17.519) 20.421 6.547 ( -0.363 18.812 3.720) 19.180 7.055 ( -13.520 10.754 7.782) 18.947 9.132 ( 4.108 10.535 -1.877) 11.462 9.892 ( 4.458 9.923 0.790) 10.907 10.403 ( 4.889 -5.719 0.045) 7.525 11.301 ( -14.162 12.089 2.402) 18.774 12.366 ( 8.886 -7.455 -2.483) 11.862 12.893 ( -0.912 -4.340 -0.506) 4.463 15.804 ( -1.699 -12.738 1.316) 12.918======================= Grid point 741 (274/580) =======================q-point: (-0.33 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.148 ( -6.907 11.458 -0.713) 13.398 4.884 ( -3.702 -3.234 -5.730) 7.550 5.817 ( 12.490 4.141 -15.626) 20.428 6.685 ( -1.253 7.590 10.692) 13.172 6.924 ( -19.923 18.010 3.768) 27.120 9.242 ( -1.299 5.137 -2.107) 5.702 9.979 ( -1.985 3.597 0.672) 4.163 10.427 ( 2.677 -3.638 0.778) 4.584 11.193 ( -12.310 15.860 2.049) 20.181 12.425 ( 7.075 -6.029 -0.277) 9.300 12.867 ( 1.213 -6.653 -2.083) 7.076 15.750 ( 7.385 -7.700 2.766) 11.022======================= Grid point 742 (275/580) =======================q-point: (-0.28 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.110 ( -9.103 9.049 -0.508) 12.845 4.714 ( -8.768 -4.335 -6.127) 11.542 5.982 ( 7.528 0.013 -13.656) 15.594 6.683 ( -9.369 -3.257 11.582) 15.249 6.809 ( -15.052 25.568 2.213) 29.752 9.179 ( -7.941 1.737 -0.349) 8.136 9.890 ( -10.901 -0.435 0.603) 10.926 10.425 ( 2.138 -5.065 0.472) 5.518 11.224 ( -6.654 19.145 0.462) 20.273 12.504 ( 8.729 -7.230 0.660) 11.354 12.757 ( -2.885 -6.559 -3.256) 7.870 15.925 ( 16.975 -2.598 3.811) 17.590======================= Grid point 743 (276/580) =======================q-point: (-0.22 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.011 ( -11.223 6.381 0.167) 12.912 4.467 ( -12.578 -5.320 -3.657) 14.138 5.958 ( -3.525 -5.054 -7.296) 9.550 6.422 ( -25.353 9.461 1.344) 27.094 6.866 ( -1.169 7.586 5.080) 9.204 9.055 ( -9.505 4.472 1.632) 10.630 9.618 ( -17.692 -2.957 0.678) 17.950 10.372 ( -0.178 -11.186 -0.127) 11.188 11.250 ( -12.217 14.792 -0.008) 19.185 12.519 ( 6.199 -7.110 -8.900) 12.969 12.795 ( 10.245 1.524 4.172) 11.167 16.273 ( 22.326 0.014 4.058) 22.692======================= Grid point 744 (277/580) =======================q-point: (-0.17 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.847 ( -13.964 3.488 1.179) 14.441 4.149 ( -16.812 -6.611 0.261) 18.067 5.740 ( -12.798 -6.471 -1.816) 14.455 6.007 ( -32.178 7.337 -1.054) 33.021 6.913 ( 0.184 1.387 -0.119) 1.404 8.891 ( -19.364 3.928 2.403) 19.904 9.261 ( -19.431 -3.284 0.764) 19.721 10.211 ( 0.125 -15.210 -0.463) 15.217 11.114 ( -15.073 9.725 -0.002) 17.938 12.641 ( 13.652 3.120 -17.016) 22.037 13.084 ( 17.789 2.126 10.890) 20.966 16.687 ( 23.213 0.501 2.710) 23.376======================= Grid point 745 (278/580) =======================q-point: (-0.11 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.588 ( -19.020 -1.041 2.639) 19.230 3.762 ( -21.082 -5.766 4.651) 22.346 5.391 ( -20.857 -4.626 0.995) 21.387 5.471 ( -33.537 1.708 -2.093) 33.646 6.906 ( -0.665 0.144 -4.544) 4.594 8.351 ( -42.741 -5.752 2.533) 43.200 8.903 ( -18.494 -2.487 0.638) 18.672 10.201 ( 11.817 -5.879 -1.016) 13.238 10.981 ( -9.042 6.031 -0.369) 10.875 12.885 ( 14.352 6.220 -20.069) 25.445 13.510 ( 23.668 2.899 15.148) 28.250 17.075 ( 20.742 -0.515 -0.699) 20.760======================= Grid point 752 (279/580) =======================q-point: ( 0.28 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.794 ( 0.000 26.737 15.670) 30.991 2.975 ( 0.000 25.588 27.159) 37.314 4.059 ( -0.000 16.042 -9.480) 18.634 4.274 ( 0.000 33.795 16.603) 37.653 5.600 ( -0.000 56.319 -6.766) 56.724 6.835 ( -0.000 3.314 -8.914) 9.510 8.222 ( 0.000 9.709 0.419) 9.718 10.772 ( -0.000 -10.173 -3.412) 10.730 10.894 ( -0.000 -4.538 -0.539) 4.570 12.599 ( -0.000 8.559 -32.932) 34.026 15.196 ( 0.000 -27.223 19.790) 33.656 17.389 ( -0.000 -0.049 -20.423) 20.423======================= Grid point 753 (280/580) =======================q-point: ( 0.33 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.114 ( 3.801 20.970 13.275) 25.108 3.315 ( 1.865 24.565 21.272) 32.549 4.315 ( 10.676 22.273 -7.548) 25.827 4.686 ( 6.692 25.786 10.195) 28.525 6.174 ( 9.509 38.262 -12.024) 41.219 6.959 ( 5.416 23.642 -2.174) 24.352 8.372 ( 4.486 11.918 0.760) 12.757 10.604 ( -5.409 -11.752 -3.755) 13.471 10.866 ( 1.744 -3.037 -0.601) 3.554 12.594 ( 3.731 -0.505 -24.142) 24.433 14.924 ( -5.234 -29.795 19.859) 36.188 17.267 ( -6.273 -1.304 -19.390) 20.421======================= Grid point 754 (281/580) =======================q-point: ( 0.39 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.419 ( 6.110 16.597 9.862) 20.250 3.656 ( 4.143 21.889 15.224) 26.982 4.801 ( 16.581 28.850 -4.612) 33.593 5.041 ( 8.031 15.375 2.609) 17.541 6.509 ( 7.444 13.351 -13.322) 20.276 7.555 ( 18.735 45.620 3.335) 49.430 8.614 ( 7.764 14.476 1.325) 16.479 10.341 ( -8.898 -12.794 -3.777) 16.035 10.898 ( 3.364 1.333 -0.869) 3.722 12.549 ( 2.847 -7.537 -17.850) 19.584 14.552 ( -9.724 -30.030 18.673) 36.674 17.034 ( -10.877 -4.380 -16.545) 20.279======================= Grid point 755 (282/580) =======================q-point: ( 0.44 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.722 ( 7.680 15.121 6.174) 18.049 3.981 ( 5.667 18.317 11.633) 22.427 5.219 ( 5.184 9.325 -4.640) 11.634 5.442 ( 18.229 28.578 -4.156) 34.151 6.738 ( 8.789 12.332 -5.391) 16.075 8.364 ( 21.028 39.892 2.430) 45.160 8.928 ( 9.600 16.821 1.838) 19.454 10.049 ( -7.602 -12.645 -3.208) 15.098 11.009 ( 4.532 7.961 -1.364) 9.262 12.436 ( 0.715 -11.157 -14.053) 17.958 14.112 ( -13.393 -27.999 15.734) 34.798 16.715 ( -13.020 -8.710 -12.205) 19.858======================= Grid point 756 (283/580) =======================q-point: ( 0.50 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.005 ( 5.083 15.529 3.309) 16.671 4.297 ( 8.693 14.016 9.210) 18.890 5.317 ( 4.441 1.019 -10.666) 11.599 6.012 ( 13.370 29.653 -3.794) 32.748 7.024 ( 8.631 14.583 2.125) 17.079 8.980 ( 6.648 28.375 0.722) 29.152 9.280 ( 10.337 17.635 2.091) 20.548 9.883 ( 5.968 -11.059 -1.912) 12.711 11.207 ( 5.407 15.190 -1.522) 16.195 12.281 ( -0.392 -11.720 -11.344) 16.316 13.640 ( -15.510 -23.720 11.430) 30.559 16.352 ( -12.443 -13.160 -7.333) 19.539======================= Grid point 757 (284/580) =======================q-point: ( 0.56 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.218 ( 0.259 16.320 1.580) 16.398 4.605 ( 10.202 8.836 6.396) 14.935 5.360 ( 5.621 -0.817 -14.276) 15.365 6.436 ( 6.697 21.248 -1.171) 22.310 7.310 ( 2.212 20.161 5.212) 20.940 9.160 ( -6.976 17.614 -0.928) 18.968 9.637 ( 9.516 16.721 2.370) 19.385 10.024 ( 17.150 -7.906 -1.027) 18.913 11.469 ( 4.519 18.485 -0.440) 19.034 12.139 ( 0.922 -10.689 -8.530) 13.706 13.201 ( -13.792 -16.870 6.483) 22.735 15.996 ( -9.428 -16.313 -3.057) 19.088======================= Grid point 758 (285/580) =======================q-point: ( 0.61 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.351 ( -3.943 16.160 0.429) 16.639 4.827 ( 6.412 2.552 2.068) 7.205 5.436 ( 8.764 1.324 -15.113) 17.520 6.659 ( 2.129 7.747 4.811) 9.364 7.511 ( -9.499 29.516 3.389) 31.192 9.224 ( -2.266 13.708 -1.332) 13.958 9.926 ( 5.211 12.507 1.986) 13.694 10.199 ( 11.604 -6.676 -0.754) 13.409 11.650 ( -6.476 16.831 1.586) 18.103 12.079 ( 8.418 -11.745 -4.974) 15.283 12.909 ( -6.360 -7.888 1.472) 10.239 15.704 ( -4.109 -16.602 -0.116) 17.103======================= Grid point 759 (286/580) =======================q-point: ( 0.67 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.405 ( -7.468 14.377 -0.269) 16.203 4.881 ( -0.157 -1.336 -2.894) 3.191 5.599 ( 11.715 3.253 -13.926) 18.487 6.717 ( 0.061 -3.254 10.910) 11.386 7.590 ( -19.795 36.094 0.356) 41.167 9.320 ( -0.868 8.938 -1.789) 9.157 10.054 ( -1.026 6.094 1.270) 6.309 10.307 ( 7.021 -4.390 0.395) 8.290 11.619 ( -14.717 18.054 2.400) 23.415 12.139 ( 13.071 -14.199 -1.775) 19.381 12.808 ( -0.884 -3.575 -1.625) 4.026 15.550 ( 4.104 -13.144 1.499) 13.851======================= Grid point 760 (287/580) =======================q-point: (-0.28 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.379 ( -9.969 10.939 -0.238) 14.802 4.801 ( -6.063 -0.849 -4.593) 7.653 5.783 ( 10.630 1.306 -13.851) 17.509 6.691 ( -0.341 -7.534 13.655) 15.599 7.545 ( -26.519 34.807 -0.711) 43.764 9.327 ( -5.499 5.139 -1.364) 7.650 10.048 ( -5.975 2.922 1.087) 6.739 10.333 ( 2.356 -6.713 0.637) 7.143 11.596 ( -11.226 21.942 1.797) 24.712 12.216 ( 12.461 -14.229 -0.499) 18.921 12.732 ( -2.393 -5.241 -2.574) 6.310 15.609 ( 14.137 -7.775 2.247) 16.290======================= Grid point 761 (288/580) =======================q-point: (-0.22 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.283 ( -11.522 7.349 0.628) 13.681 4.632 ( -11.327 -0.384 -3.586) 11.887 5.874 ( 4.451 -2.508 -12.082) 13.118 6.652 ( -1.365 -5.072 10.129) 11.410 7.358 ( -29.514 25.013 0.667) 38.693 9.268 ( -7.470 8.253 -0.122) 11.132 9.883 ( -14.387 -0.825 1.138) 14.455 10.265 ( -0.443 -11.820 0.134) 11.829 11.637 ( -11.734 20.500 0.868) 23.637 12.267 ( 9.744 -12.292 -3.884) 16.159 12.673 ( 3.930 -2.814 0.248) 4.841 15.877 ( 21.794 -3.911 2.144) 22.245======================= Grid point 762 (289/580) =======================q-point: (-0.17 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.133 ( -13.285 4.564 1.782) 14.160 4.382 ( -15.557 -1.578 -0.881) 15.662 5.809 ( -4.035 -4.497 -7.881) 9.930 6.541 ( -15.223 2.115 1.226) 15.418 7.080 ( -19.891 9.144 3.634) 22.191 9.237 ( -10.538 12.845 0.801) 16.634 9.576 ( -19.065 -1.790 1.308) 19.193 10.069 ( -3.225 -18.371 -0.448) 18.657 11.519 ( -19.439 10.221 0.362) 21.965 12.371 ( 14.046 -0.673 -11.868) 18.401 12.839 ( 14.469 -0.499 7.680) 16.389 16.262 ( 24.922 -2.410 0.701) 25.048======================= Grid point 763 (290/580) =======================q-point: (-0.11 0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.914 ( -16.936 1.636 2.166) 17.152 4.069 ( -18.361 -2.154 3.148) 18.753 5.610 ( -11.751 -3.737 -4.596) 13.160 6.119 ( -34.458 3.543 -1.721) 34.682 6.940 ( -4.575 1.123 0.964) 4.808 8.993 ( -31.321 3.388 1.235) 31.528 9.224 ( -20.025 -1.180 1.516) 20.117 9.942 ( 8.599 -8.836 -1.345) 12.403 11.257 ( -16.913 3.800 -0.620) 17.346 12.626 ( 15.897 5.469 -16.478) 23.540 13.179 ( 20.955 -0.149 14.118) 25.268 16.664 ( 24.048 -2.662 -2.410) 24.314======================= Grid point 771 (291/580) =======================q-point: ( 0.33 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.293 ( 0.000 15.535 8.874) 17.891 3.605 ( 0.000 22.650 20.633) 30.638 4.424 ( -0.000 25.225 -6.587) 26.071 4.913 ( 0.000 23.219 5.328) 23.822 6.359 ( -0.000 20.689 -14.401) 25.208 7.241 ( 0.000 43.454 1.901) 43.495 8.462 ( 0.000 13.893 0.719) 13.912 10.539 ( -0.000 -9.766 -3.465) 10.363 10.802 ( -0.000 -4.245 -0.483) 4.273 12.481 ( -0.000 -3.417 -19.028) 19.332 14.716 ( 0.000 -31.677 17.778) 36.325 17.247 ( -0.000 -3.063 -17.508) 17.774======================= Grid point 772 (292/580) =======================q-point: ( 0.39 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.488 ( 4.605 11.598 5.721) 13.727 3.878 ( 0.506 19.948 17.055) 26.250 4.796 ( 13.434 28.147 -4.086) 31.455 5.127 ( 1.263 15.071 -2.457) 15.322 6.515 ( 3.525 14.150 -10.307) 17.857 7.794 ( 8.874 47.090 2.457) 47.982 8.657 ( 4.967 15.897 0.969) 16.683 10.373 ( -7.698 -7.662 -2.987) 11.264 10.816 ( 5.337 -1.430 -0.546) 5.552 12.391 ( 1.126 -7.156 -14.314) 16.043 14.411 ( -4.157 -31.884 15.664) 35.767 17.095 ( -6.795 -5.796 -14.951) 17.416======================= Grid point 773 (293/580) =======================q-point: ( 0.44 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.726 ( 8.496 10.717 3.942) 14.233 4.129 ( 2.132 16.372 13.999) 21.646 5.232 ( 0.739 6.734 -9.780) 11.897 5.380 ( 20.459 29.465 -3.003) 35.997 6.726 ( 6.606 14.994 -3.280) 16.710 8.439 ( 15.285 36.695 1.367) 39.775 8.950 ( 8.582 17.953 1.495) 19.955 10.125 ( -12.049 -4.921 -2.480) 13.250 10.954 ( 8.719 5.248 -0.921) 10.218 12.281 ( 0.202 -9.608 -10.950) 14.569 14.041 ( -7.475 -30.375 13.148) 33.932 16.813 ( -12.094 -9.229 -11.752) 19.224======================= Grid point 774 (294/580) =======================q-point: ( 0.50 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.015 ( 10.382 11.592 2.854) 15.821 4.362 ( 3.633 12.500 11.697) 17.500 5.248 ( 0.949 1.765 -13.493) 13.641 6.012 ( 18.610 28.172 -3.253) 33.920 7.022 ( 9.914 15.995 2.510) 18.985 9.026 ( 17.680 21.954 0.140) 28.188 9.301 ( 9.522 18.932 1.918) 21.278 9.868 ( -12.535 -1.049 -1.867) 12.717 11.210 ( 10.171 13.206 -1.604) 16.745 12.145 ( -0.796 -10.300 -8.550) 13.410 13.637 ( -9.850 -26.997 10.244) 30.509 16.437 ( -14.647 -12.832 -8.218) 21.136======================= Grid point 775 (295/580) =======================q-point: ( 0.56 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.312 ( 7.984 13.518 1.847) 15.808 4.575 ( 5.502 8.070 9.104) 13.352 5.238 ( 2.417 -0.317 -14.171) 14.379 6.495 ( 9.123 19.633 -1.897) 21.732 7.413 ( 12.410 21.446 4.713) 25.222 9.453 ( 6.690 15.550 -0.693) 16.942 9.625 ( 5.857 12.533 0.014) 13.834 9.728 ( 2.621 2.479 0.780) 3.691 11.527 ( 8.178 17.095 -2.365) 19.098 12.013 ( 0.052 -8.878 -6.200) 10.829 13.241 ( -10.344 -21.431 7.175) 24.855 16.023 ( -13.786 -15.830 -4.784) 21.530======================= Grid point 776 (296/580) =======================q-point: ( 0.61 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.547 ( 1.381 15.584 1.185) 15.690 4.756 ( 5.857 2.870 4.802) 8.099 5.264 ( 6.375 -0.150 -12.872) 14.364 6.707 ( 1.157 6.643 2.466) 7.180 7.866 ( 6.692 30.676 2.929) 31.534 9.491 ( -11.260 15.857 -1.519) 19.507 9.868 ( 18.167 -5.809 -0.828) 19.091 9.966 ( 6.333 13.335 2.480) 14.969 11.725 ( 4.117 -0.739 -3.585) 5.509 11.987 ( 0.264 7.260 -2.037) 7.545 12.928 ( -6.638 -13.325 3.650) 15.327 15.642 ( -9.310 -17.124 -1.919) 19.585======================= Grid point 777 (297/580) =======================q-point: ( 0.67 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.666 ( -5.377 14.070 -0.194) 15.064 4.850 ( 2.618 0.570 0.921) 2.833 5.389 ( 11.004 1.510 -11.194) 15.769 6.723 ( -1.897 -2.931 6.802) 7.646 8.217 ( -7.031 37.091 0.668) 37.757 9.466 ( -6.358 10.229 -1.449) 12.131 10.074 ( 10.911 -3.361 -0.015) 11.417 10.163 ( 2.443 8.739 1.701) 9.232 11.723 ( 9.958 -17.149 -2.438) 19.980 12.046 ( -9.053 16.590 1.550) 18.962 12.786 ( -0.870 -4.790 -0.594) 4.905 15.377 ( -1.254 -15.451 0.029) 15.501======================= Grid point 778 (298/580) =======================q-point: (-0.28 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.643 ( -8.867 7.667 -0.637) 11.739 4.881 ( -2.387 4.457 -0.914) 5.138 5.570 ( 11.168 1.635 -11.698) 16.256 6.660 ( -1.317 -7.687 9.943) 12.636 8.334 ( -22.117 35.727 -0.462) 42.022 9.458 ( -3.478 6.143 -1.237) 7.167 10.165 ( 0.966 -0.111 0.551) 1.118 10.227 ( -0.814 0.660 1.102) 1.521 11.747 ( 14.505 -18.772 -1.517) 23.772 12.057 ( -9.240 18.526 3.298) 20.963 12.723 ( -2.623 -4.014 -2.850) 5.578 15.314 ( 9.193 -10.788 0.901) 14.203======================= Grid point 779 (299/580) =======================q-point: (-0.22 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.535 ( -10.117 4.137 0.990) 10.975 4.828 ( -9.113 5.049 -2.137) 10.635 5.714 ( 7.904 0.527 -12.338) 14.663 6.611 ( 1.216 -7.545 10.522) 13.005 8.158 ( -32.274 23.881 0.028) 40.149 9.470 ( -4.349 11.061 -1.089) 11.935 10.096 ( -8.477 -0.940 0.980) 8.585 10.157 ( -2.547 -9.772 0.712) 10.123 11.853 ( 14.734 -8.692 -3.103) 17.387 12.105 ( -9.108 16.154 3.468) 18.866 12.600 ( -1.695 -7.246 -1.974) 7.699 15.478 ( 18.461 -5.936 0.658) 19.403======================= Grid point 780 (300/580) =======================q-point: (-0.17 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.388 ( -11.334 2.346 2.929) 11.940 4.652 ( -14.701 2.728 -1.518) 15.029 5.767 ( 2.017 -0.138 -11.355) 11.533 6.610 ( 1.601 -4.258 6.829) 8.205 7.727 ( -35.956 9.763 1.704) 37.297 9.526 ( -5.657 17.445 -0.828) 18.358 9.875 ( -16.010 -0.709 1.524) 16.098 9.948 ( -4.548 -19.240 -0.079) 19.771 11.963 ( -20.551 6.519 0.028) 21.561 12.066 ( 16.480 -0.753 -6.847) 17.862 12.630 ( 10.227 -1.817 4.697) 11.400 15.805 ( 23.808 -3.277 -0.732) 24.044======================= Grid point 781 (301/580) =======================q-point: (-0.11 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.197 ( -13.773 0.012 3.443) 14.196 4.387 ( -17.602 1.654 1.294) 17.727 5.711 ( -4.902 0.436 -9.386) 10.598 6.549 ( -10.814 -1.334 -0.334) 10.901 7.207 ( -26.504 0.299 4.627) 26.907 9.468 ( -19.465 -1.385 -0.143) 19.514 9.565 ( -19.163 -0.295 1.802) 19.249 9.762 ( 3.586 0.071 -1.319) 3.822 11.608 ( -21.220 -1.143 -1.396) 21.296 12.352 ( 16.542 4.852 -10.972) 20.435 12.884 ( 16.604 -0.406 11.002) 19.922 16.198 ( 24.969 -2.773 -3.305) 25.339======================= Grid point 790 (302/580) =======================q-point: ( 0.39 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.553 ( 0.000 8.150 2.798) 8.617 4.113 ( 0.000 16.742 16.246) 23.329 4.937 ( -0.000 27.403 -2.928) 27.559 5.230 ( -0.000 9.934 -10.045) 14.127 6.611 ( -0.000 15.836 -4.901) 16.577 8.168 ( 0.000 40.184 1.085) 40.198 8.777 ( 0.000 16.990 0.628) 17.001 10.416 ( -0.000 1.469 -1.784) 2.311 10.724 ( -0.000 -3.276 -0.167) 3.281 12.277 ( -0.000 -6.798 -10.406) 12.430 14.168 ( 0.000 -32.070 12.714) 34.498 17.044 ( -0.000 -8.111 -12.884) 15.225======================= Grid point 791 (303/580) =======================q-point: ( 0.44 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.687 ( 6.286 6.921 1.447) 9.461 4.306 ( -0.046 13.035 14.754) 19.687 5.247 ( 0.367 6.142 -14.409) 15.668 5.341 ( 13.789 24.975 -3.376) 28.727 6.794 ( 3.097 16.304 0.078) 16.596 8.566 ( 6.850 26.244 -0.609) 27.130 9.005 ( 5.774 18.059 0.700) 18.973 10.338 ( -11.935 6.144 -0.768) 13.446 10.821 ( 10.785 3.063 -0.000) 11.211 12.182 ( -0.874 -5.701 -7.272) 9.282 13.859 ( -3.124 -30.752 9.982) 32.482 16.852 ( -7.196 -10.714 -10.507) 16.642======================= Grid point 792 (304/580) =======================q-point: ( 0.50 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.917 ( 11.555 7.228 1.138) 13.676 4.469 ( 1.254 9.143 13.441) 16.304 5.224 ( -0.595 2.402 -16.991) 17.170 5.918 ( 21.757 25.419 -2.298) 33.538 7.032 ( 6.515 13.844 3.095) 15.610 8.912 ( 11.982 11.337 -1.926) 16.608 9.326 ( 9.365 18.244 1.210) 20.542 10.173 ( -14.949 9.155 -0.649) 17.542 11.114 ( 14.116 11.001 -0.075) 17.897 12.082 ( -3.215 -3.928 -5.175) 7.249 13.518 ( -5.306 -27.804 7.618) 29.313 16.528 ( -12.886 -13.072 -7.993) 20.020======================= Grid point 793 (305/580) =======================q-point: ( 0.56 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.224 ( 14.145 8.343 0.876) 16.445 4.611 ( 2.466 5.193 11.427) 12.791 5.188 ( -0.323 2.149 -14.943) 15.100 6.493 ( 15.029 21.506 -2.389) 26.346 7.347 ( 15.170 12.821 4.404) 20.345 9.204 ( 15.650 1.162 -2.000) 15.820 9.674 ( 9.442 16.780 1.733) 19.332 10.016 ( -15.013 12.189 -1.065) 19.368 11.501 ( 14.649 15.396 -1.070) 21.278 11.957 ( -5.166 -3.710 -3.658) 7.337 13.181 ( -6.346 -22.899 5.838) 24.469 16.116 ( -15.734 -14.650 -5.515) 22.195======================= Grid point 794 (306/580) =======================q-point: ( 0.61 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.556 ( 12.727 9.886 0.013) 16.115 4.726 ( 3.318 2.113 8.224) 9.117 5.170 ( 0.616 1.855 -11.077) 11.248 6.775 ( 0.889 9.465 -0.094) 9.508 7.871 ( 23.199 20.364 2.825) 30.998 9.476 ( 17.487 -3.295 -0.953) 17.820 9.885 ( -13.269 14.060 -1.519) 19.392 9.986 ( 7.233 12.708 1.807) 14.733 11.732 ( -8.090 1.303 -4.274) 9.242 11.959 ( 13.530 8.547 -0.495) 16.011 12.895 ( -5.453 -16.052 4.560) 17.555 15.684 ( -14.820 -14.946 -3.240) 21.296======================= Grid point 795 (307/580) =======================q-point: ( 0.67 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.771 ( 3.234 1.598 -0.909) 3.720 4.871 ( 4.058 11.533 5.189) 13.282 5.198 ( 6.348 -0.460 -8.279) 10.443 6.777 ( -4.677 -0.328 2.314) 5.228 8.476 ( 16.229 27.476 1.165) 31.932 9.658 ( 1.664 -2.690 -1.043) 3.330 9.859 ( 2.190 9.195 -0.332) 9.458 10.221 ( 5.682 11.034 1.418) 12.491 11.508 ( -7.004 -12.895 -2.749) 14.930 12.261 ( 4.595 13.975 -0.559) 14.722 12.726 ( -0.324 -8.369 2.400) 8.713 15.318 ( -9.388 -13.498 -1.336) 16.496======================= Grid point 796 (308/580) =======================q-point: ( 0.72 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.783 ( -2.219 0.914 -1.421) 2.789 5.000 ( -3.015 9.592 3.582) 10.674 5.352 ( 12.642 1.333 -8.082) 15.064 6.664 ( -4.919 -5.846 4.456) 8.844 8.914 ( -2.340 30.804 0.128) 30.893 9.560 ( -5.303 -1.165 -0.914) 5.506 10.012 ( 7.074 -2.702 0.309) 7.579 10.410 ( -2.132 16.264 1.169) 16.445 11.288 ( 7.062 -23.925 -1.753) 25.007 12.369 ( -5.262 12.275 2.453) 13.579 12.707 ( 0.888 -2.362 -1.768) 3.081 15.117 ( 0.664 -9.812 -0.123) 9.835======================= Grid point 797 (309/580) =======================q-point: (-0.22 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.716 ( -6.832 2.055 0.842) 7.184 5.000 ( -5.182 3.526 0.129) 6.269 5.557 ( 9.387 4.945 -8.860) 13.823 6.552 ( -1.213 -7.762 6.551) 10.229 8.888 ( -27.432 16.255 0.098) 31.887 9.580 ( 4.232 7.049 -0.985) 8.280 10.020 ( 0.462 -8.698 0.314) 8.716 10.369 ( -15.117 6.055 1.343) 16.340 11.375 ( 23.520 -12.594 -2.106) 26.762 12.417 ( -2.989 11.339 3.915) 12.363 12.606 ( -8.571 -4.359 -3.020) 10.079 15.154 ( 11.782 -4.775 -0.129) 12.713======================= Grid point 798 (310/580) =======================q-point: (-0.17 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.598 ( -9.738 1.521 3.539) 10.472 4.886 ( -9.649 0.098 -1.590) 9.780 5.704 ( 4.153 6.489 -10.576) 13.085 6.524 ( 3.596 -6.453 7.290) 10.379 8.410 ( -35.175 0.292 0.953) 35.189 9.725 ( 2.009 4.806 -1.226) 5.351 9.873 ( -6.865 -4.577 0.006) 8.251 10.131 ( -14.017 -0.934 1.498) 14.128 11.714 ( 20.786 1.085 -4.056) 21.206 12.321 ( -15.084 -8.221 -2.146) 17.312 12.525 ( 2.475 8.529 5.016) 10.199 15.399 ( 19.276 -1.314 -1.284) 19.364======================= Grid point 799 (311/580) =======================q-point: (-0.11 0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.421 ( -12.178 -2.025 4.045) 12.991 4.684 ( -13.452 1.352 0.323) 13.524 5.760 ( -1.314 6.553 -11.781) 13.545 6.565 ( 3.379 -3.807 4.787) 6.988 7.745 ( -35.324 -9.221 2.571) 36.598 9.536 ( -7.714 -18.308 -0.489) 19.873 9.875 ( -15.927 -0.281 1.613) 16.011 9.916 ( -3.155 19.007 -1.464) 19.323 11.890 ( -14.143 -7.017 -3.978) 16.282 12.104 ( 12.968 2.994 -3.820) 13.846 12.701 ( 8.429 4.109 7.307) 11.888 15.753 ( 22.643 -0.429 -3.162) 22.867======================= Grid point 809 (312/580) =======================q-point: ( 0.44 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.688 ( 0.000 5.078 0.165) 5.081 4.462 ( 0.000 8.760 14.402) 16.857 5.248 ( -0.000 3.088 -19.419) 19.663 5.433 ( 0.000 22.899 -1.313) 22.937 6.934 ( 0.000 15.359 2.561) 15.571 8.710 ( -0.000 15.045 -2.476) 15.247 9.132 ( 0.000 17.863 0.102) 17.864 10.623 ( 0.000 17.279 1.155) 17.318 10.669 ( 0.000 -2.363 0.353) 2.390 12.149 ( -0.000 0.492 -4.249) 4.277 13.608 ( 0.000 -29.430 7.048) 30.262 16.770 ( -0.000 -12.512 -8.874) 15.340======================= Grid point 810 (313/580) =======================q-point: ( 0.50 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.802 ( 7.692 4.563 -0.033) 8.943 4.570 ( 0.127 4.790 13.495) 14.320 5.208 ( -0.729 3.088 -18.463) 18.733 5.794 ( 16.468 20.325 -1.445) 26.199 7.097 ( 1.974 11.398 3.295) 12.028 8.853 ( 4.816 7.376 -3.329) 9.417 9.365 ( 6.319 17.304 0.111) 18.422 10.491 ( -12.205 5.160 0.423) 13.258 10.969 ( 13.631 9.627 1.790) 16.783 12.151 ( -3.705 7.351 -2.588) 8.629 13.327 ( -2.093 -26.328 4.836) 26.850 16.550 ( -7.314 -13.816 -7.090) 17.166======================= Grid point 811 (314/580) =======================q-point: ( 0.56 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.039 ( 13.876 4.723 0.095) 14.659 4.649 ( 1.104 1.313 11.426) 11.554 5.186 ( -0.437 4.378 -13.901) 14.581 6.355 ( 23.803 19.559 -2.083) 30.879 7.250 ( 5.987 4.973 3.273) 8.443 9.014 ( 8.644 3.797 -2.747) 9.833 9.673 ( 9.381 15.484 0.528) 18.112 10.339 ( -11.658 6.038 -0.428) 13.136 11.316 ( 17.239 5.745 1.641) 18.245 12.127 ( -9.617 10.912 -2.240) 14.717 13.055 ( -3.170 -20.821 3.689) 21.382 16.212 ( -13.025 -13.883 -5.292) 19.758======================= Grid point 812 (315/580) =======================q-point: ( 0.61 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.359 ( 17.039 5.048 -0.337) 17.774 4.708 ( 2.282 -0.932 8.206) 8.568 5.191 ( -1.119 5.172 -7.678) 9.325 6.836 ( 7.174 14.071 -2.428) 15.980 7.541 ( 26.341 4.236 2.721) 26.818 9.214 ( 11.634 2.194 -1.181) 11.898 9.966 ( 8.324 10.782 0.754) 13.642 10.209 ( -11.024 7.652 -1.151) 13.468 11.697 ( 21.424 2.981 0.589) 21.638 11.997 ( -16.011 8.106 -2.486) 18.117 12.838 ( -3.566 -12.858 3.488) 13.792 15.812 ( -15.975 -12.230 -3.558) 20.431======================= Grid point 813 (316/580) =======================q-point: ( 0.67 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.678 ( 11.109 2.458 -1.562) 11.484 4.796 ( 9.666 1.438 5.248) 11.092 5.191 ( -2.881 4.363 -2.325) 5.722 6.886 ( -6.151 2.496 -1.484) 6.802 8.208 ( 36.085 11.442 1.115) 37.873 9.433 ( 11.922 -0.787 0.092) 11.948 10.101 ( -9.530 8.224 -1.306) 12.656 10.184 ( 7.173 6.074 0.677) 9.424 11.705 ( -21.026 0.017 -1.233) 21.062 12.113 ( 21.105 4.130 -1.936) 21.593 12.697 ( -3.354 -5.821 3.650) 7.645 15.421 ( -15.318 -8.962 -1.938) 17.853======================= Grid point 814 (317/580) =======================q-point: ( 0.72 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.768 ( 2.991 -0.498 -0.061) 3.033 5.100 ( 16.153 1.474 -2.702) 16.443 5.163 ( -4.583 6.292 3.963) 8.735 6.744 ( -8.437 -2.964 -1.028) 9.002 8.909 ( 28.425 13.173 0.416) 31.332 9.547 ( 2.559 -5.103 0.025) 5.708 10.020 ( -6.535 4.529 -0.241) 7.955 10.425 ( 14.855 7.198 0.121) 16.508 11.270 ( -24.003 -7.278 -0.457) 25.087 12.444 ( 9.777 4.981 -2.902) 11.350 12.634 ( 1.289 -3.164 3.384) 4.808 15.123 ( -9.861 -4.559 -0.562) 10.878======================= Grid point 815 (318/580) =======================q-point: (-0.22 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.800 ( -0.030 1.357 0.268) 1.383 5.068 ( -3.626 -4.390 -0.526) 5.719 5.433 ( 11.689 9.473 0.281) 15.048 6.563 ( -6.641 -5.201 -0.023) 8.435 9.379 ( -12.718 -10.502 -0.021) 16.493 9.405 ( 13.607 11.253 0.019) 17.657 9.978 ( -0.418 -0.369 0.006) 0.558 10.767 ( -18.843 -15.280 -0.027) 24.260 10.858 ( 19.899 16.140 0.024) 25.622 12.481 ( -2.879 -2.711 -0.003) 3.955 12.695 ( 1.646 1.681 0.002) 2.353 15.017 ( 0.551 0.459 -0.000) 0.717======================= Grid point 816 (319/580) =======================q-point: (-0.17 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.774 ( -6.836 2.014 3.569) 7.970 4.945 ( -2.494 -7.025 -2.744) 7.944 5.691 ( 6.294 11.194 -3.536) 13.320 6.441 ( -0.749 -5.899 2.536) 6.465 8.895 ( -27.021 -15.834 0.440) 31.322 9.600 ( 4.959 -5.455 -0.206) 7.376 10.007 ( -0.481 8.215 -0.211) 8.232 10.350 ( -14.462 -8.199 0.603) 16.635 11.391 ( 21.895 15.149 -1.457) 26.665 12.321 ( -6.164 -14.226 -0.925) 15.532 12.702 ( -4.208 6.465 1.885) 7.941 15.142 ( 10.543 3.966 -0.693) 11.286======================= Grid point 817 (320/580) =======================q-point: (-0.11 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.600 ( -11.401 -5.913 3.427) 13.292 4.850 ( -4.712 0.206 -0.663) 4.762 5.837 ( -0.560 11.824 -9.841) 15.394 6.446 ( 5.736 -5.242 6.073) 9.862 8.179 ( -31.687 -23.399 1.065) 39.404 9.499 ( -5.182 -11.124 0.059) 12.272 10.095 ( -10.089 -2.740 0.527) 10.467 10.109 ( -0.908 12.785 -0.877) 12.847 11.864 ( 14.532 14.550 -3.979) 20.945 12.004 ( -8.346 -19.191 0.294) 20.929 12.724 ( -1.064 5.960 3.565) 7.026 15.420 ( 16.341 4.419 -1.977) 17.043======================= Grid point 828 (321/580) =======================q-point: ( 0.50 0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.770 ( -0.000 3.347 -0.302) 3.361 4.635 ( 0.000 0.794 12.032) 12.058 5.198 ( -0.000 4.143 -16.050) 16.576 5.816 ( 0.000 15.809 -0.749) 15.827 7.191 ( 0.000 8.034 2.471) 8.406 8.868 ( -0.000 5.881 -3.623) 6.907 9.472 ( 0.000 15.816 -0.413) 15.821 10.629 ( 0.000 -2.205 0.702) 2.314 10.928 ( 0.000 8.560 2.988) 9.067 12.306 ( -0.000 16.227 -1.572) 16.303 13.109 ( 0.000 -22.519 2.909) 22.706 16.454 ( -0.000 -14.089 -5.895) 15.273======================= Grid point 829 (322/580) =======================q-point: ( 0.56 0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.875 ( 8.539 2.839 -0.071) 8.999 4.666 ( 0.413 -1.619 9.677) 9.820 5.204 ( -0.100 5.646 -9.982) 11.468 6.120 ( 18.530 12.954 -1.013) 22.632 7.255 ( -0.003 3.059 1.070) 3.241 8.948 ( 3.811 5.423 -2.607) 7.122 9.677 ( 6.373 13.403 -0.295) 14.844 10.535 ( -7.243 0.175 0.324) 7.253 11.096 ( 11.156 0.712 2.688) 11.498 12.415 ( -6.682 15.718 -1.988) 17.195 12.916 ( -1.044 -14.638 2.455) 14.879 16.240 ( -7.043 -12.783 -4.593) 15.301======================= Grid point 830 (323/580) =======================q-point: ( 0.61 0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.110 ( 15.071 2.439 -0.105) 15.268 4.683 ( 1.210 -2.603 7.180) 7.733 5.244 ( -0.250 6.423 -3.342) 7.244 6.670 ( 27.936 13.116 -2.091) 30.933 7.266 ( 3.041 -3.713 0.332) 4.811 9.089 ( 7.104 4.707 -0.851) 8.565 9.920 ( 7.926 8.406 -0.081) 11.554 10.419 ( -7.612 3.055 -0.471) 8.216 11.341 ( 18.373 -2.860 1.247) 18.636 12.350 ( -13.433 7.707 -2.021) 15.618 12.803 ( -2.567 -4.596 2.496) 5.826 15.945 ( -12.466 -9.259 -3.256) 15.866======================= Grid point 831 (324/580) =======================q-point: ( 0.67 0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.421 ( 17.881 1.523 -1.222) 17.988 4.708 ( 2.934 -2.569 5.403) 6.663 5.289 ( -1.918 6.040 1.987) 6.642 7.010 ( -3.943 5.055 -4.522) 7.845 7.574 ( 39.956 -1.042 1.279) 39.990 9.268 ( 8.968 2.488 0.493) 9.320 10.091 ( 6.153 2.219 -0.416) 6.555 10.326 ( -7.740 4.087 -0.488) 8.767 11.696 ( 25.063 -1.759 -0.870) 25.139 12.108 ( -20.394 3.693 -0.595) 20.734 12.726 ( -3.573 -2.095 2.189) 4.684 15.624 ( -15.544 -4.010 -1.904) 16.165======================= Grid point 832 (325/580) =======================q-point: (-0.28 -0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.668 ( 8.368 -1.693 -2.274) 8.835 4.826 ( 13.515 -1.262 2.791) 13.858 5.309 ( -3.552 5.900 6.388) 9.393 6.871 ( -9.375 -1.639 -4.895) 10.702 8.321 ( 42.473 -0.930 0.396) 42.485 9.431 ( 7.883 0.176 0.608) 7.908 10.189 ( -4.636 1.011 -1.074) 4.865 10.237 ( 4.719 -0.756 0.347) 4.792 11.721 ( -25.891 1.593 0.447) 25.944 12.135 ( 24.242 1.541 -2.057) 24.378 12.647 ( -3.485 -3.113 2.134) 5.137 15.335 ( -15.414 1.643 -0.548) 15.511======================= Grid point 833 (326/580) =======================q-point: (-0.22 -0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.744 ( 5.145 -2.061 -1.816) 5.832 5.004 ( 6.126 -5.952 -0.831) 8.582 5.387 ( 4.190 8.461 9.251) 13.219 6.664 ( -9.649 -2.615 -5.280) 11.305 8.892 ( 28.272 -14.857 -0.359) 31.940 9.563 ( 3.852 6.465 0.826) 7.571 10.023 ( -7.625 -3.971 -0.098) 8.597 10.394 ( 13.228 -9.468 -1.353) 16.323 11.331 ( -22.734 12.291 2.499) 25.964 12.492 ( 7.900 3.722 -4.222) 9.700 12.551 ( 3.671 -8.873 3.000) 10.060 15.148 ( -10.417 6.932 0.561) 12.526======================= Grid point 834 (327/580) =======================q-point: (-0.17 -0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.806 ( 5.192 -2.657 -3.208) 6.656 4.922 ( -5.606 -7.411 2.156) 9.539 5.646 ( 10.521 8.598 6.358) 15.001 6.474 ( -7.494 -1.860 -4.598) 8.986 8.899 ( -0.533 -31.155 -0.507) 31.163 9.596 ( -6.624 1.777 0.642) 6.888 10.006 ( 7.269 3.307 0.063) 7.987 10.358 ( -0.692 -16.596 -1.118) 16.648 11.375 ( 3.647 25.880 2.176) 26.226 12.317 ( -8.991 -12.721 -0.020) 15.578 12.716 ( 6.678 0.615 -1.251) 6.822 15.135 ( -1.422 10.628 0.737) 10.748======================= Grid point 835 (328/580) =======================q-point: (-0.11 0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.685 ( -7.477 -12.950 0.000) 14.953 4.877 ( 1.336 2.314 -0.000) 2.673 5.904 ( 5.949 10.304 0.000) 11.898 6.361 ( -1.418 -2.456 -0.000) 2.836 8.343 ( -20.839 -36.095 -0.000) 41.678 9.489 ( -3.240 -5.613 -0.000) 6.481 10.168 ( -4.827 -8.360 -0.000) 9.653 10.183 ( 4.500 7.794 0.000) 9.000 11.798 ( 12.944 22.420 -0.000) 25.888 11.971 ( -11.377 -19.705 -0.000) 22.754 12.783 ( 0.982 1.701 -0.000) 1.964 15.293 ( 6.264 10.850 -0.000) 12.529======================= Grid point 848 (329/580) =======================q-point: ( 0.56 0.56 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.822 ( 0.000 1.896 0.223) 1.909 4.665 ( 0.000 -2.959 7.784) 8.327 5.243 ( -0.000 6.456 -4.155) 7.677 6.050 ( -0.000 8.053 -0.534) 8.071 7.282 ( -0.000 1.128 -1.169) 1.624 8.965 ( -0.000 5.503 -1.307) 5.656 9.737 ( 0.000 10.390 -0.268) 10.394 10.585 ( 0.000 -2.461 0.342) 2.485 11.000 ( 0.000 -1.346 1.746) 2.205 12.572 ( -0.000 2.908 -2.635) 3.924 12.863 ( 0.000 1.909 2.540) 3.177 16.173 ( -0.000 -9.925 -3.711) 10.596======================= Grid point 849 (330/580) =======================q-point: ( 0.61 0.56 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.916 ( 8.777 1.153 0.424) 8.862 4.658 ( 0.524 -3.411 6.224) 7.117 5.310 ( 0.104 7.239 1.852) 7.473 6.295 ( 20.741 4.903 -0.602) 21.321 7.255 ( -2.228 -1.599 -3.157) 4.182 9.044 ( 3.451 4.226 0.467) 5.476 9.871 ( 5.409 5.592 0.006) 7.780 10.529 ( -3.643 -0.460 -0.344) 3.688 11.061 ( 9.479 -3.739 -0.105) 10.191 12.522 ( -3.997 -0.999 -1.332) 4.330 12.886 ( -4.553 4.955 1.580) 6.912 16.031 ( -6.566 -4.665 -2.758) 8.513======================= Grid point 850 (331/580) =======================q-point: (-0.33 -0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.134 ( 15.048 0.040 -0.089) 15.048 4.655 ( 1.474 -3.729 4.763) 6.226 5.390 ( -0.966 7.006 6.577) 9.658 6.833 ( 35.908 2.947 -0.817) 36.038 7.152 ( -4.499 -4.653 -4.680) 7.987 9.161 ( 6.179 1.460 1.561) 6.538 10.000 ( 5.809 -0.092 -0.318) 5.818 10.456 ( -5.060 0.329 -0.549) 5.100 11.274 ( 19.464 -2.233 -1.628) 19.659 12.412 ( -10.590 2.538 0.303) 10.894 12.801 ( -6.413 -1.688 1.042) 6.713 15.848 ( -11.931 1.816 -1.752) 12.195======================= Grid point 851 (332/580) =======================q-point: (-0.28 -0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.405 ( 16.470 -2.069 -2.004) 16.720 4.673 ( 4.239 -4.031 3.924) 7.044 5.447 ( -2.832 6.014 9.840) 11.875 6.981 ( -7.620 -4.000 -6.784) 10.958 7.535 ( 43.321 -3.606 -0.208) 43.471 9.289 ( 8.023 -1.155 1.306) 8.210 10.078 ( 6.014 -3.417 -0.971) 6.985 10.339 ( -7.468 -2.340 0.146) 7.827 11.657 ( 24.908 -0.218 -2.366) 25.021 12.175 ( -18.924 2.105 2.241) 19.172 12.688 ( -3.990 -2.698 0.443) 4.837 15.652 ( -15.410 7.548 -0.617) 17.171======================= Grid point 852 (333/580) =======================q-point: (-0.22 -0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.583 ( 8.746 -4.931 -4.225) 10.893 4.779 ( 11.293 -5.336 3.052) 12.858 5.486 ( -2.309 5.648 12.047) 13.505 6.780 ( -8.453 -3.232 -7.563) 11.794 8.165 ( 36.946 -14.619 -0.784) 39.741 9.452 ( 11.526 1.722 0.913) 11.690 10.118 ( -1.249 -7.355 -1.203) 7.556 10.160 ( -2.055 -7.394 0.197) 7.677 11.793 ( -16.923 5.447 3.270) 18.076 12.146 ( 20.843 -2.203 -0.950) 20.981 12.591 ( -5.691 -0.590 -1.008) 5.810 15.477 ( -15.462 12.017 0.678) 19.594======================= Grid point 853 (334/580) =======================q-point: (-0.17 -0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.636 ( 6.390 -6.912 -4.854) 10.591 4.869 ( 4.739 -8.267 2.098) 9.758 5.599 ( 5.164 6.082 12.129) 14.518 6.592 ( -8.275 -0.368 -7.483) 11.163 8.421 ( 17.678 -29.817 -1.340) 34.689 9.712 ( 4.000 4.521 1.519) 6.225 9.872 ( -1.155 -8.912 0.149) 8.988 10.147 ( 5.888 -12.550 -1.986) 14.004 11.672 ( -8.586 17.298 5.031) 19.957 12.303 ( 0.226 -16.421 1.832) 16.524 12.573 ( 5.926 7.040 -5.331) 10.635 15.385 ( -10.941 15.380 1.741) 18.955======================= Grid point 867 (335/580) =======================q-point: (-0.39 -0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.848 ( 0.000 0.305 0.897) 0.948 4.634 ( 0.000 -3.976 5.248) 6.583 5.401 ( 0.000 8.245 7.323) 11.028 6.131 ( -0.000 0.279 -0.392) 0.481 7.246 ( -0.000 -2.234 -5.481) 5.919 9.051 ( 0.000 2.152 1.992) 2.932 9.856 ( 0.000 0.729 0.626) 0.961 10.546 ( -0.000 -0.860 -0.736) 1.132 10.945 ( -0.000 -2.878 -2.208) 3.627 12.545 ( -0.000 1.769 -0.447) 1.824 12.965 ( 0.000 -0.754 0.998) 1.251 16.065 ( -0.000 1.837 -2.240) 2.897======================= Grid point 868 (336/580) =======================q-point: (-0.33 -0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.924 ( 8.442 -0.799 0.778) 8.515 4.609 ( 0.518 -4.805 3.916) 6.221 5.508 ( -0.838 8.040 11.596) 14.135 6.306 ( 21.628 -3.612 0.015) 21.928 7.174 ( -2.804 -3.058 -7.594) 8.654 9.091 ( 2.992 -0.944 2.534) 4.033 9.881 ( 4.689 -4.985 0.486) 6.861 10.518 ( -2.793 -0.088 -0.860) 2.923 10.999 ( 9.906 -0.547 -2.914) 10.341 12.562 ( -3.292 5.775 0.358) 6.656 12.868 ( -5.215 -8.335 0.910) 9.874 16.054 ( -6.489 8.369 -1.693) 10.725======================= Grid point 869 (337/580) =======================q-point: (-0.28 -0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.108 ( 13.934 -2.643 -0.282) 14.185 4.583 ( 1.798 -6.070 2.462) 6.793 5.589 ( -2.488 6.068 13.778) 15.259 6.731 ( 30.682 -12.302 1.197) 33.078 7.079 ( 0.356 0.657 -9.798) 9.826 9.150 ( 5.785 -3.319 1.698) 6.882 9.908 ( 6.380 -9.263 -0.608) 11.264 10.431 ( -6.044 -1.998 0.068) 6.366 11.263 ( 19.875 1.887 -2.229) 20.088 12.460 ( -13.062 -2.825 3.255) 13.755 12.729 ( -2.780 -0.193 -1.035) 2.973 15.995 ( -12.204 13.050 -0.941) 17.892======================= Grid point 870 (338/580) =======================q-point: (-0.22 -0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.315 ( 13.871 -5.505 -2.603) 15.149 4.578 ( 5.487 -7.637 1.883) 9.590 5.626 ( -3.510 3.693 14.262) 15.144 6.803 ( -0.933 -9.273 -5.729) 10.940 7.395 ( 33.438 -9.868 -3.449) 35.034 9.260 ( 10.410 -1.466 0.796) 10.542 9.910 ( 6.924 -12.548 -1.769) 14.440 10.257 ( -9.952 -6.687 0.967) 12.029 11.656 ( 23.503 -0.580 -1.170) 23.539 12.171 ( -14.762 -3.958 6.001) 16.419 12.708 ( -4.862 7.325 -3.040) 9.303 15.894 ( -15.698 15.991 0.246) 22.409======================= Grid point 871 (339/580) =======================q-point: (-0.17 -0.39 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.423 ( 8.093 -8.290 -4.684) 12.497 4.638 ( 9.959 -10.377 1.530) 14.464 5.653 ( -0.782 2.427 13.486) 13.725 6.670 ( -4.123 -3.258 -6.202) 8.129 7.747 ( 25.991 -25.202 -2.717) 36.305 9.518 ( 17.489 3.981 1.014) 17.965 9.891 ( 6.848 -14.005 -1.998) 15.717 9.945 ( -13.691 -13.930 0.576) 19.540 11.953 ( 7.520 -13.751 3.011) 15.959 12.006 ( -0.258 10.421 5.306) 11.697 12.680 ( -6.308 10.604 -6.066) 13.749 15.794 ( -15.385 18.171 1.812) 23.878======================= Grid point 886 (340/580) =======================q-point: (-0.33 -0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.841 ( 0.000 -1.705 1.097) 2.027 4.562 ( 0.000 -6.007 2.834) 6.642 5.642 ( 0.000 7.930 15.643) 17.538 6.057 ( -0.000 -7.422 -0.214) 7.425 7.133 ( -0.000 -4.483 -9.194) 10.229 9.051 ( 0.000 -3.706 2.384) 4.406 9.762 ( 0.000 -10.271 0.888) 10.310 10.554 ( -0.000 2.111 -1.097) 2.379 10.898 ( -0.000 -0.194 -2.875) 2.881 12.663 ( 0.000 6.805 0.943) 6.870 12.806 ( -0.000 -11.296 0.630) 11.313 16.219 ( -0.000 13.821 -1.658) 13.920======================= Grid point 887 (341/580) =======================q-point: (-0.28 -0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.889 ( 7.658 -3.257 0.538) 8.339 4.502 ( 0.295 -7.872 1.351) 7.992 5.732 ( -2.369 4.283 16.165) 16.890 6.154 ( 20.245 -11.725 0.963) 23.415 7.046 ( -0.925 -4.113 -9.999) 10.851 9.034 ( 3.077 -5.487 1.049) 6.377 9.686 ( 4.794 -14.143 0.138) 14.934 10.520 ( -5.434 0.321 -0.323) 5.453 10.997 ( 11.911 0.156 -1.806) 12.048 12.561 ( -6.230 -13.510 5.854) 15.987 12.811 ( -1.357 12.100 -3.355) 12.630 16.311 ( -6.810 17.038 -1.379) 18.401======================= Grid point 888 (342/580) =======================q-point: (-0.22 -0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.022 ( 12.126 -5.787 -0.848) 13.463 4.430 ( 1.992 -10.249 -0.090) 10.441 5.751 ( -3.148 -0.114 14.495) 14.833 6.420 ( 24.214 -18.882 1.101) 30.725 7.006 ( 4.991 -2.308 -8.860) 10.427 9.073 ( 7.933 -4.557 -0.162) 9.150 9.635 ( 7.035 -16.590 -1.162) 18.057 10.365 ( -9.760 -5.979 0.656) 11.464 11.259 ( 19.212 -3.427 -0.951) 19.538 12.346 ( -8.559 -5.310 9.153) 13.610 12.888 ( -4.358 14.677 -5.291) 16.199 16.316 ( -12.539 18.551 -0.513) 22.397======================= Grid point 889 (343/580) =======================q-point: (-0.17 -0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.154 ( 11.379 -9.058 -2.729) 14.798 4.381 ( 6.116 -12.647 -0.709) 14.066 5.719 ( -2.227 -3.455 11.708) 12.408 6.548 ( 11.175 -15.443 -0.183) 19.063 7.123 ( 16.847 -12.337 -5.788) 21.668 9.242 ( 15.807 -2.316 -0.258) 15.978 9.591 ( 8.139 -17.350 -1.957) 19.264 10.062 ( -14.322 -12.235 0.923) 18.859 11.521 ( 18.338 -12.296 -0.073) 22.079 12.262 ( -6.545 9.406 11.830) 16.470 12.912 ( -7.656 15.107 -8.199) 18.817 16.260 ( -15.465 19.479 1.148) 24.898======================= Grid point 905 (344/580) =======================q-point: (-0.28 -0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.787 ( 0.000 -4.420 0.453) 4.443 4.415 ( -0.000 -10.117 0.221) 10.119 5.834 ( -0.000 -14.857 0.067) 14.857 5.838 ( 0.000 -0.197 16.029) 16.030 6.976 ( -0.000 -4.847 -8.288) 9.601 8.942 ( -0.000 -7.632 -0.460) 7.646 9.488 ( -0.000 -16.746 0.291) 16.748 10.603 ( -0.000 3.014 -0.458) 3.048 10.842 ( -0.000 -6.962 -0.929) 7.024 12.500 ( 0.000 -10.690 8.759) 13.820 12.964 ( -0.000 17.047 -4.997) 17.764 16.547 ( -0.000 19.007 -1.636) 19.078======================= Grid point 906 (345/580) =======================q-point: (-0.22 -0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.794 ( 6.635 -6.571 -0.482) 9.351 4.296 ( 0.078 -13.242 -1.311) 13.307 5.769 ( 4.845 -11.617 5.970) 13.931 5.881 ( 10.424 -14.979 5.907) 19.181 6.922 ( 0.783 -2.847 -4.431) 5.324 8.889 ( 4.822 -9.919 -1.720) 11.163 9.353 ( 4.492 -18.225 -0.380) 18.775 10.486 ( -10.570 -4.979 0.187) 11.686 10.917 ( 14.342 -6.789 -0.566) 15.877 12.447 ( -3.067 0.243 12.779) 13.144 13.102 ( -2.901 18.653 -7.344) 20.255 16.675 ( -6.896 19.503 -1.307) 20.728======================= Grid point 907 (346/580) =======================q-point: (-0.17 -0.28 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.860 ( 10.208 -9.895 -1.675) 14.315 4.162 ( 2.588 -16.026 -2.654) 16.449 5.703 ( -0.522 -11.529 6.317) 13.157 5.995 ( 22.693 -24.564 1.570) 33.479 6.919 ( 2.474 -2.203 -1.443) 3.613 8.911 ( 12.546 -14.578 -1.915) 19.329 9.270 ( 7.199 -18.471 -1.247) 19.864 10.205 ( -13.391 -7.686 0.762) 15.459 11.114 ( 15.936 -8.468 -0.006) 18.046 12.490 ( -3.473 10.988 15.918) 19.652 13.181 ( -6.734 18.930 -10.471) 22.657 16.699 ( -12.124 19.452 0.014) 22.921======================= Grid point 924 (347/580) =======================q-point: (-0.22 -0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.660 ( -0.000 -8.386 -1.117) 8.460 4.140 ( -0.000 -17.226 -2.745) 17.443 5.473 ( -0.000 -21.053 0.518) 21.060 5.750 ( 0.000 -15.412 5.060) 16.221 6.889 ( 0.000 -1.543 1.679) 2.280 8.698 ( -0.000 -18.512 -2.962) 18.748 9.128 ( -0.000 -18.615 -0.057) 18.615 10.593 ( -0.000 -13.813 -0.148) 13.814 10.664 ( 0.000 3.207 0.123) 3.209 12.554 ( 0.000 7.684 16.628) 18.317 13.301 ( -0.000 20.806 -9.579) 22.905 16.925 ( -0.000 19.244 -1.721) 19.321======================= Grid point 925 (348/580) =======================q-point: (-0.17 -0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.609 ( 5.635 -11.595 -2.178) 13.075 3.940 ( 0.877 -21.006 -4.306) 21.460 5.387 ( 14.347 -23.706 0.554) 27.715 5.580 ( 1.045 -20.540 1.304) 20.607 6.892 ( 0.287 -0.849 4.818) 4.900 8.508 ( 7.306 -29.860 -3.197) 30.907 8.982 ( 4.248 -18.217 -0.329) 18.708 10.366 ( -10.462 -3.036 0.529) 10.906 10.824 ( 11.162 -1.550 0.194) 11.270 12.704 ( -1.186 13.147 19.551) 23.590 13.448 ( -4.189 21.870 -12.235) 25.407 17.050 ( -6.479 18.431 -1.209) 19.574======================= Grid point 943 (349/580) =======================q-point: (-0.17 -0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.421 ( -0.000 -14.811 -3.307) 15.176 3.677 ( -0.000 -26.491 -6.341) 27.239 5.023 ( -0.000 -23.702 1.105) 23.727 5.336 ( -0.000 -25.530 -1.663) 25.584 6.903 ( 0.000 -0.788 7.676) 7.716 8.062 ( -0.000 -43.416 -3.759) 43.578 8.768 ( -0.000 -17.062 0.198) 17.063 10.464 ( 0.000 2.078 0.522) 2.143 10.734 ( 0.000 3.688 0.280) 3.699 12.914 ( 0.000 14.316 21.996) 26.244 13.677 ( -0.000 24.005 -13.520) 27.550 17.278 ( -0.000 16.893 -1.920) 17.001======================= Grid point 1040 (350/580) =======================q-point: ( 0.17 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 570Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.005 ( 0.000 -0.000 35.502) 35.502 1.005 ( 0.000 -0.000 35.502) 35.502 2.078 ( 0.000 -0.000 74.681) 74.681 3.734 ( -0.000 0.000 -7.657) 7.657 3.734 ( -0.000 0.000 -7.657) 7.657 7.982 ( 0.000 -0.000 0.468) 0.468 7.982 ( 0.000 -0.000 0.468) 0.468 8.620 ( -0.000 0.000 -25.320) 25.320 11.064 ( -0.000 0.000 -0.486) 0.486 11.064 ( -0.000 0.000 -0.486) 0.486 15.679 ( 0.000 -0.000 5.037) 5.037 17.800 ( -0.000 0.000 -0.941) 0.941======================= Grid point 1041 (351/580) =======================q-point: ( 0.22 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.302 ( 19.132 11.046 27.634) 35.379 1.670 ( 26.885 15.522 33.255) 45.493 2.596 ( 29.287 16.909 57.909) 67.060 3.755 ( 3.863 2.231 -8.147) 9.288 3.920 ( 18.336 10.586 -8.875) 22.957 7.148 ( -15.912 -9.187 -2.020) 18.485 8.028 ( 3.036 1.753 0.789) 3.594 10.911 ( 46.589 26.898 -40.960) 67.614 11.037 ( -2.031 -1.173 -0.581) 2.416 11.177 ( 54.445 31.434 -45.093) 77.367 15.707 ( -0.658 -0.380 6.791) 6.833 17.624 ( -11.864 -6.849 -4.436) 14.399======================= Grid point 1042 (352/580) =======================q-point: ( 0.28 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.919 ( 26.286 15.176 18.762) 35.683 2.231 ( 15.429 8.908 36.818) 40.903 3.615 ( 39.818 22.989 32.567) 56.343 3.867 ( 8.212 4.741 -8.323) 12.616 4.543 ( 39.049 22.545 -9.049) 45.989 6.925 ( -4.681 -2.703 -10.050) 11.412 8.128 ( 5.457 3.150 0.915) 6.367 10.934 ( -5.104 -2.947 -2.462) 6.387 10.971 ( -3.332 -1.924 -0.634) 3.900 12.397 ( 39.341 22.713 -58.004) 73.676 15.620 ( -10.837 -6.257 16.173) 20.449 17.334 ( -9.436 -5.448 -16.697) 19.938======================= Grid point 1043 (353/580) =======================q-point: ( 0.33 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.562 ( 24.301 14.030 13.007) 30.928 2.695 ( 17.268 9.970 27.114) 33.656 4.095 ( 13.943 8.050 -7.618) 17.812 4.461 ( 27.581 15.924 18.088) 36.626 5.609 ( 50.877 29.374 -6.782) 59.138 6.853 ( 2.352 1.358 -9.946) 10.310 8.287 ( 8.173 4.719 0.877) 9.478 10.757 ( -9.160 -5.289 -3.386) 11.106 10.886 ( -3.718 -2.147 -0.618) 4.338 12.820 ( 12.747 7.360 -33.672) 36.748 15.303 ( -21.419 -12.366 24.290) 34.665 17.097 ( -6.161 -3.557 -23.865) 24.902======================= Grid point 1044 (354/580) =======================q-point: ( 0.39 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.079 ( 17.437 10.067 7.812) 21.597 3.202 ( 20.815 12.017 16.946) 29.408 4.470 ( 20.085 11.596 -5.346) 23.800 5.034 ( 18.559 10.715 9.392) 23.398 6.493 ( 21.184 12.231 -15.869) 29.158 7.191 ( 33.504 19.344 2.722) 38.783 8.511 ( 11.065 6.388 0.730) 12.797 10.524 ( -8.935 -5.158 -3.575) 10.919 10.803 ( -3.267 -1.886 -0.501) 3.806 12.873 ( 0.404 0.233 -22.018) 22.023 14.810 ( -27.150 -15.675 23.740) 39.325 16.887 ( -6.462 -3.731 -20.366) 21.690======================= Grid point 1045 (355/580) =======================q-point: ( 0.44 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.420 ( 11.208 6.471 3.444) 13.392 3.743 ( 22.221 12.829 9.879) 27.495 4.954 ( 22.018 12.712 -2.764) 25.574 5.370 ( 9.763 5.637 -0.306) 11.278 6.759 ( 10.464 6.041 -9.100) 15.126 8.042 ( 31.658 18.278 2.315) 36.629 8.798 ( 13.613 7.860 0.480) 15.727 10.408 ( 1.812 1.046 -1.915) 2.836 10.736 ( -2.487 -1.436 -0.247) 2.883 12.748 ( -5.280 -3.048 -16.749) 17.824 14.221 ( -28.842 -16.652 17.776) 37.751 16.669 ( -8.251 -4.764 -12.303) 15.561======================= Grid point 1046 (356/580) =======================q-point: ( 0.50 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.638 ( 7.458 4.306 0.832) 8.652 4.264 ( 20.442 11.802 5.621) 24.264 5.427 ( 18.863 10.890 -1.188) 21.813 5.516 ( 5.132 2.963 -10.085) 11.697 6.943 ( 5.746 3.317 -0.022) 6.635 8.546 ( 13.166 7.602 0.124) 15.204 9.132 ( 14.945 8.629 0.103) 17.258 10.637 ( 16.147 9.323 0.747) 18.660 10.684 ( -2.124 -1.226 0.149) 2.457 12.571 ( -5.062 -2.923 -12.698) 13.979 13.620 ( -26.077 -15.055 10.376) 31.849 16.433 ( -9.892 -5.711 -4.938) 12.444======================= Grid point 1047 (357/580) =======================q-point: ( 0.56 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.779 ( 4.876 2.815 -0.496) 5.652 4.694 ( 15.121 8.730 2.846) 17.691 5.578 ( 4.527 2.614 -17.677) 18.434 5.797 ( 13.190 7.615 -0.326) 15.234 6.999 ( -1.658 -0.958 7.381) 7.625 8.783 ( 9.691 5.595 -1.120) 11.246 9.471 ( 14.094 8.137 -0.382) 16.279 10.632 ( -2.654 -1.532 0.630) 3.128 10.962 ( 7.691 4.440 2.052) 9.114 12.494 ( 1.553 0.897 -6.825) 7.057 13.138 ( -15.947 -9.207 3.314) 18.710 16.191 ( -10.131 -5.849 -0.181) 11.699======================= Grid point 1048 (358/580) =======================q-point: ( 0.61 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.863 ( 2.607 1.505 -1.078) 3.197 4.936 ( 4.843 2.796 -1.811) 5.878 5.661 ( 8.715 5.031 -19.664) 22.089 6.027 ( 6.805 3.929 0.204) 7.860 6.943 ( -5.116 -2.954 12.515) 13.839 9.008 ( 9.569 5.524 -2.310) 11.288 9.755 ( 10.065 5.811 -0.859) 11.654 10.563 ( -3.354 -1.936 1.070) 4.018 10.960 ( -6.239 -3.602 2.926) 7.775 12.523 ( -0.324 -0.187 -0.704) 0.797 12.983 ( 1.907 1.101 -1.852) 2.877 15.991 ( -6.705 -3.871 2.255) 8.064======================= Grid point 1049 (359/580) =======================q-point: (-0.33 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.893 ( 0.347 0.201 -1.177) 1.243 4.909 ( -4.809 -2.776 -7.398) 9.250 5.871 ( 13.304 7.681 -17.163) 23.033 6.111 ( 0.326 0.188 0.515) 0.638 6.856 ( -5.960 -3.441 15.455) 16.918 9.151 ( 2.238 1.292 -2.539) 3.623 9.890 ( 0.954 0.551 -0.935) 1.445 10.506 ( -1.106 -0.639 1.086) 1.676 10.832 ( -3.257 -1.881 2.946) 4.777 12.522 ( 1.809 1.044 0.623) 2.180 13.031 ( -0.802 -0.463 -2.199) 2.386 15.939 ( 2.226 1.285 3.617) 4.438======================= Grid point 1050 (360/580) =======================q-point: (-0.28 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.871 ( -2.026 -1.170 -0.889) 2.503 4.721 ( -8.887 -5.131 -7.642) 12.795 6.045 ( -6.179 -3.568 0.598) 7.160 6.091 ( 7.992 4.614 -16.220) 18.661 6.785 ( -3.198 -1.846 15.918) 16.341 9.087 ( -6.420 -3.707 -0.162) 7.415 9.781 ( -9.582 -5.532 -0.333) 11.069 10.531 ( 2.559 1.478 0.406) 2.983 10.850 ( 2.820 1.628 0.315) 3.271 12.631 ( 7.189 4.151 2.398) 8.641 12.888 ( -9.529 -5.501 -4.292) 11.810 16.122 ( 11.937 6.892 4.895) 14.627======================= Grid point 1051 (361/580) =======================q-point: (-0.22 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.793 ( -4.671 -2.697 -0.194) 5.397 4.463 ( -12.039 -6.951 -4.566) 14.632 5.830 ( -12.549 -7.245 0.424) 14.496 6.064 ( -7.013 -4.049 -7.531) 11.059 6.835 ( 3.511 2.027 6.180) 7.391 8.912 ( -8.469 -4.889 2.521) 10.098 9.490 ( -14.800 -8.545 0.031) 17.089 10.600 ( 3.009 1.737 -0.072) 3.475 10.842 ( -5.851 -3.378 -0.923) 6.819 12.679 ( -3.422 -1.976 -10.547) 11.263 12.866 ( 11.704 6.757 5.737) 14.682 16.479 ( 16.793 9.695 5.660) 20.200======================= Grid point 1052 (362/580) =======================q-point: (-0.17 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.650 ( -7.978 -4.606 1.072) 9.275 4.127 ( -16.909 -9.762 0.326) 19.528 5.476 ( -17.956 -10.367 -0.071) 20.734 5.775 ( -16.074 -9.280 -0.702) 18.574 6.910 ( 1.790 1.034 -2.723) 3.419 8.668 ( -16.284 -9.402 3.580) 19.141 9.128 ( -16.103 -9.297 0.022) 18.594 10.594 ( -11.894 -6.867 -0.254) 13.737 10.666 ( 2.859 1.650 -0.246) 3.310 12.713 ( 9.086 5.246 -18.110) 20.929 13.212 ( 16.277 9.398 10.095) 21.335 16.894 ( 17.239 9.953 4.902) 20.501======================= Grid point 1059 (363/580) =======================q-point: ( 0.22 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.555 ( 0.000 25.817 28.408) 38.387 1.699 ( 0.000 38.887 27.322) 47.525 2.732 ( 0.000 22.590 62.745) 66.688 3.720 ( -0.000 3.994 -9.569) 10.369 3.900 ( -0.000 21.696 -9.125) 23.536 7.137 ( -0.000 -20.880 -2.883) 21.079 7.995 ( 0.000 2.009 0.327) 2.035 10.783 ( -0.000 108.518 -71.661) 130.044 11.041 ( -0.000 -2.094 -0.507) 2.154 11.050 ( -0.000 3.977 -5.603) 6.871 15.725 ( 0.000 -0.553 6.729) 6.752 17.632 ( -0.000 -12.068 -4.500) 12.880======================= Grid point 1060 (364/580) =======================q-point: ( 0.28 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.939 ( 6.636 30.794 22.406) 38.657 2.276 ( 9.976 22.174 33.978) 41.781 3.408 ( 24.945 30.725 41.153) 57.095 3.793 ( 5.400 7.263 -9.217) 12.917 4.295 ( 18.242 33.664 -9.788) 39.520 6.924 ( -3.792 -7.591 -9.842) 12.995 8.072 ( 4.623 3.251 0.582) 5.682 10.962 ( -3.071 -3.767 -2.406) 5.423 10.993 ( -1.897 -2.515 -0.636) 3.214 11.882 ( 33.892 52.034 -62.365) 88.009 15.701 ( -3.038 -7.387 12.168) 14.555 17.405 ( -9.205 -8.088 -12.383) 17.421======================= Grid point 1061 (365/580) =======================q-point: ( 0.33 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.481 ( 13.739 26.810 17.431) 34.805 2.705 ( 8.049 17.022 30.857) 36.148 3.973 ( 9.999 12.214 -8.501) 17.928 4.243 ( 24.862 21.112 21.691) 39.171 5.165 ( 38.005 42.982 -6.495) 57.741 6.808 ( -0.114 -0.793 -12.219) 12.245 8.214 ( 6.604 5.550 0.732) 8.657 10.812 ( -6.494 -7.866 -3.197) 10.689 10.927 ( -2.825 -1.894 -0.573) 3.449 12.522 ( 19.971 16.577 -39.371) 47.156 15.508 ( -11.504 -16.877 21.176) 29.421 17.138 ( -9.238 -1.841 -21.901) 23.841======================= Grid point 1062 (366/580) =======================q-point: ( 0.39 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.993 ( 12.590 19.317 12.953) 26.447 3.127 ( 11.874 17.901 20.776) 29.884 4.313 ( 14.492 18.819 -6.790) 24.704 4.852 ( 19.647 13.626 11.673) 26.607 6.176 ( 30.566 27.496 -12.434) 42.953 6.943 ( 17.326 16.559 -2.943) 24.146 8.417 ( 8.721 8.205 0.788) 12.000 10.576 ( -8.162 -10.498 -3.787) 13.826 10.861 ( -3.399 0.241 -0.631) 3.465 12.735 ( 7.389 1.305 -24.783) 25.894 15.105 ( -19.852 -21.995 23.781) 37.992 16.916 ( -7.583 -0.716 -22.195) 23.466======================= Grid point 1063 (367/580) =======================q-point: ( 0.44 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.371 ( 8.404 14.255 6.573) 17.805 3.593 ( 15.765 16.825 13.879) 26.912 4.790 ( 17.201 23.009 -3.597) 28.952 5.250 ( 11.816 7.007 2.112) 13.899 6.602 ( 12.356 9.254 -12.437) 19.824 7.728 ( 33.011 30.395 3.170) 44.985 8.684 ( 10.838 10.732 0.774) 15.272 10.350 ( -2.790 -9.949 -2.986) 10.755 10.818 ( -3.551 3.947 -0.602) 5.343 12.701 ( -0.348 -5.205 -18.041) 18.781 14.554 ( -24.997 -22.454 19.158) 38.679 16.713 ( -7.256 -3.666 -14.870) 16.947======================= Grid point 1064 (368/580) =======================q-point: ( 0.50 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.621 ( 4.518 11.710 2.455) 12.789 4.079 ( 17.812 14.471 8.942) 24.630 5.289 ( 14.546 18.461 -1.781) 23.570 5.444 ( 6.253 7.652 -7.695) 12.525 6.858 ( 9.622 7.685 -3.059) 12.689 8.429 ( 16.033 18.921 1.321) 24.835 9.005 ( 12.312 12.597 0.651) 17.627 10.342 ( 12.392 -6.349 -0.868) 13.951 10.830 ( -2.379 10.625 -0.192) 10.889 12.551 ( -3.060 -6.971 -14.263) 16.167 13.938 ( -26.232 -20.082 12.167) 35.206 16.497 ( -7.655 -7.361 -6.703) 12.558======================= Grid point 1065 (369/580) =======================q-point: ( 0.56 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.788 ( 1.809 10.274 0.355) 10.438 4.527 ( 16.114 10.790 5.319) 20.109 5.463 ( 4.770 0.421 -14.466) 15.238 5.771 ( 8.686 23.081 -1.439) 24.703 7.026 ( 2.080 3.857 4.318) 6.152 8.725 ( 5.568 10.359 -0.198) 11.762 9.351 ( 12.176 13.147 0.370) 17.923 10.508 ( 10.446 -8.106 0.040) 13.222 10.988 ( 3.368 16.558 1.223) 16.941 12.422 ( 1.044 -5.017 -9.906) 11.153 13.363 ( -21.688 -14.916 5.624) 26.916 16.263 ( -7.810 -9.890 -1.007) 12.642======================= Grid point 1066 (370/580) =======================q-point: ( 0.61 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.895 ( -0.462 9.038 -0.683) 9.075 4.847 ( 9.314 4.950 1.142) 10.610 5.509 ( 6.407 2.450 -18.766) 19.980 6.088 ( 2.345 21.186 0.044) 21.315 7.036 ( -4.421 -0.477 9.516) 10.504 8.926 ( 7.217 9.121 -1.456) 11.721 9.669 ( 9.584 11.505 -0.064) 14.973 10.533 ( 2.464 -6.779 0.381) 7.223 11.112 ( -6.713 8.227 2.092) 10.823 12.454 ( 6.943 -2.299 -3.420) 8.074 12.993 ( -7.741 -6.205 -0.055) 9.921 16.039 ( -6.089 -9.982 1.944) 11.853======================= Grid point 1067 (371/580) =======================q-point: ( 0.67 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.949 ( -2.612 7.659 -1.088) 8.165 4.919 ( -1.366 -1.784 -5.705) 6.131 5.663 ( 12.215 6.047 -16.532) 21.427 6.270 ( -5.193 19.914 0.579) 20.588 6.955 ( -5.672 -3.895 12.744) 14.483 9.116 ( 4.860 6.408 -2.687) 8.479 9.880 ( 3.575 6.443 -0.386) 7.379 10.500 ( 0.481 -3.861 0.992) 4.015 10.993 ( -11.839 5.114 2.958) 13.231 12.495 ( 1.989 -2.106 0.005) 2.897 12.963 ( 4.685 -2.677 -2.206) 5.829 15.903 ( 0.222 -6.469 3.193) 7.217======================= Grid point 1068 (372/580) =======================q-point: (-0.28 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.951 ( -4.736 6.035 -1.025) 7.740 4.785 ( -6.904 -4.476 -7.772) 11.318 5.892 ( 11.864 4.296 -15.519) 20.002 6.307 ( -12.925 18.453 -0.352) 22.532 6.861 ( -3.888 -5.305 15.095) 16.466 9.157 ( -3.633 0.754 -1.865) 4.153 9.893 ( -6.087 0.225 -0.276) 6.098 10.491 ( 1.578 -1.778 0.885) 2.537 10.926 ( -4.557 9.827 1.926) 11.002 12.551 ( 5.792 0.837 1.019) 5.940 12.923 ( -3.515 -8.463 -2.788) 9.579 15.970 ( 10.543 -0.633 4.000) 11.294======================= Grid point 1069 (373/580) =======================q-point: (-0.22 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.899 ( -6.924 4.157 -0.529) 8.094 4.568 ( -9.692 -5.821 -5.485) 12.566 5.988 ( -0.038 -0.890 -10.244) 10.283 6.188 ( -17.151 11.321 -3.665) 20.875 6.838 ( 0.341 -0.984 12.254) 12.298 9.035 ( -8.345 -1.254 0.835) 8.480 9.686 ( -14.646 -3.833 0.094) 15.140 10.516 ( 3.325 -3.693 0.110) 4.971 10.980 ( -4.711 10.932 -0.065) 11.904 12.670 ( -0.738 -7.845 -4.659) 9.154 12.756 ( 4.941 1.854 1.483) 5.482 16.255 ( 18.193 3.349 4.530) 19.046======================= Grid point 1070 (374/580) =======================q-point: (-0.17 0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.789 ( -9.427 1.969 0.460) 9.641 4.296 ( -13.213 -7.678 -1.186) 15.328 5.798 ( -19.354 1.442 -1.295) 19.451 5.936 ( -14.778 -3.076 -5.147) 15.948 6.889 ( 1.292 1.003 2.582) 3.056 8.869 ( -11.684 -0.894 2.700) 12.025 9.350 ( -17.939 -5.572 0.322) 18.788 10.488 ( 0.932 -11.464 -0.298) 11.505 10.914 ( -12.931 9.025 -0.005) 15.769 12.569 ( 4.562 -0.930 -14.138) 14.884 13.033 ( 15.875 5.642 7.824) 18.576 16.651 ( 20.638 4.456 3.864) 21.465======================= Grid point 1078 (375/580) =======================q-point: ( 0.28 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.276 ( 0.000 29.537 21.869) 36.751 2.550 ( 0.000 28.051 29.982) 41.058 3.652 ( 0.000 34.152 37.840) 50.972 3.782 ( -0.000 8.906 -11.404) 14.470 4.513 ( -0.000 45.912 -8.302) 46.657 6.845 ( -0.000 -6.708 -11.402) 13.229 8.072 ( 0.000 5.561 0.517) 5.585 10.932 ( -0.000 -6.558 -2.462) 7.005 10.978 ( -0.000 -3.802 -0.568) 3.845 11.959 ( -0.000 48.199 -52.688) 71.408 15.670 ( 0.000 -12.625 14.185) 18.990 17.367 ( -0.000 -6.724 -15.711) 17.090======================= Grid point 1079 (376/580) =======================q-point: ( 0.33 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.670 ( 5.031 28.264 18.717) 34.270 2.914 ( 1.821 22.331 28.833) 36.515 3.923 ( 7.708 14.202 -10.584) 19.317 4.202 ( 13.676 26.567 22.613) 37.472 5.151 ( 17.508 53.464 -5.825) 56.559 6.762 ( 0.161 -0.337 -12.549) 12.555 8.181 ( 4.500 7.442 0.738) 8.728 10.809 ( -4.143 -9.396 -3.305) 10.788 10.930 ( -0.673 -3.338 -0.561) 3.452 12.314 ( 11.929 22.512 -36.918) 44.856 15.515 ( -4.757 -21.234 19.329) 29.105 17.205 ( -6.729 -1.282 -21.241) 22.318======================= Grid point 1080 (377/580) =======================q-point: ( 0.39 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.085 ( 6.958 21.558 15.578) 27.492 3.256 ( 4.317 21.801 21.295) 30.780 4.263 ( 13.493 22.288 -7.898) 27.225 4.731 ( 15.219 17.535 12.011) 26.141 5.995 ( 22.623 37.490 -10.579) 45.047 6.867 ( 10.477 18.396 -5.270) 21.816 8.373 ( 7.233 10.000 0.997) 12.382 10.586 ( -7.545 -12.188 -3.906) 14.857 10.894 ( -0.644 -0.907 -0.647) 1.287 12.536 ( 8.857 4.016 -24.276) 26.151 15.196 ( -11.283 -27.165 21.913) 36.680 17.000 ( -9.031 0.935 -22.119) 23.909======================= Grid point 1081 (378/580) =======================q-point: ( 0.44 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.430 ( 6.662 16.688 10.220) 20.672 3.625 ( 7.431 20.244 14.835) 26.175 4.761 ( 15.636 28.410 -4.110) 32.688 5.124 ( 12.080 8.937 2.535) 15.239 6.461 ( 12.007 13.459 -13.278) 22.397 7.554 ( 28.014 39.639 2.934) 48.628 8.634 ( 9.223 12.947 1.253) 15.945 10.309 ( -7.204 -13.509 -3.612) 15.730 10.893 ( -0.493 3.494 -0.891) 3.639 12.563 ( 3.174 -5.571 -17.395) 18.539 14.730 ( -17.428 -28.050 19.194) 38.196 16.778 ( -9.292 -2.072 -16.788) 19.299======================= Grid point 1082 (379/580) =======================q-point: ( 0.50 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.705 ( 3.933 15.433 4.756) 16.622 4.012 ( 11.341 16.894 11.400) 23.323 5.230 ( 9.314 10.885 -2.929) 14.622 5.415 ( 11.926 21.840 -6.107) 25.623 6.760 ( 11.432 12.191 -4.556) 17.322 8.376 ( 20.006 31.839 2.107) 37.662 8.952 ( 10.602 15.339 1.411) 18.700 10.111 ( 2.538 -11.899 -2.263) 12.375 10.952 ( 0.338 9.811 -0.937) 9.861 12.457 ( -0.578 -9.192 -13.923) 16.693 14.170 ( -21.551 -25.271 13.424) 35.823 16.535 ( -8.742 -7.431 -9.171) 14.689======================= Grid point 1083 (380/580) =======================q-point: ( 0.56 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.905 ( 0.587 15.079 1.718) 15.188 4.408 ( 13.201 12.751 8.324) 20.153 5.337 ( 4.822 -0.802 -12.108) 13.058 5.886 ( 9.642 29.986 -2.472) 31.595 7.036 ( 6.239 10.788 2.316) 12.676 8.804 ( 1.941 18.029 0.445) 18.139 9.305 ( 10.922 16.512 1.521) 19.856 10.184 ( 15.673 -8.305 -0.786) 17.755 11.111 ( 2.998 16.694 -0.084) 16.961 12.310 ( -0.209 -9.141 -11.071) 14.358 13.593 ( -21.736 -19.977 7.444) 30.446 16.275 ( -7.681 -12.181 -2.875) 14.685======================= Grid point 1084 (381/580) =======================q-point: ( 0.61 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.041 ( -2.221 14.512 0.178) 14.682 4.741 ( 10.424 7.115 4.569) 13.423 5.369 ( 5.374 0.339 -16.574) 17.427 6.290 ( 4.449 26.951 0.094) 27.316 7.168 ( -3.866 8.458 6.113) 11.129 8.954 ( 1.060 12.645 -0.617) 12.704 9.647 ( 9.010 15.336 1.298) 17.834 10.345 ( 10.635 -7.944 -0.524) 13.285 11.323 ( -1.605 16.362 1.338) 16.495 12.251 ( 7.320 -7.292 -6.745) 12.339 13.114 ( -15.210 -12.117 2.288) 19.581 16.020 ( -5.694 -14.440 0.870) 15.546======================= Grid point 1085 (382/580) =======================q-point: ( 0.67 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.120 ( -4.729 13.417 -0.530) 14.235 4.891 ( 1.963 -0.043 -2.417) 3.114 5.474 ( 10.111 4.483 -15.250) 18.839 6.578 ( -0.315 22.884 3.108) 23.097 7.124 ( -11.763 7.179 7.196) 15.546 9.115 ( 3.605 10.442 -1.835) 11.198 9.899 ( 4.029 10.315 0.875) 11.109 10.404 ( 5.413 -5.735 0.227) 7.889 11.321 ( -13.824 12.137 2.087) 18.514 12.346 ( 10.473 -7.288 -1.805) 12.886 12.884 ( -1.998 -4.491 -1.425) 5.118 15.821 ( -1.060 -12.952 2.476) 13.229======================= Grid point 1086 (383/580) =======================q-point: (-0.28 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.142 ( -7.012 11.673 -0.641) 13.632 4.827 ( -4.732 -2.859 -6.636) 8.638 5.681 ( 12.178 4.542 -14.120) 19.191 6.762 ( -4.332 19.650 6.258) 21.073 6.970 ( -15.703 6.049 6.452) 18.023 9.221 ( -1.112 5.530 -2.399) 6.130 9.985 ( -2.255 3.961 0.686) 4.609 10.435 ( 2.783 -3.715 0.871) 4.723 11.213 ( -12.630 15.508 2.374) 20.141 12.422 ( 7.748 -6.159 -0.351) 9.904 12.847 ( 0.918 -6.774 -2.157) 7.168 15.777 ( 7.880 -7.925 3.016) 11.576======================= Grid point 1087 (384/580) =======================q-point: (-0.22 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.107 ( -9.059 9.402 -0.224) 13.058 4.661 ( -8.386 -3.357 -5.627) 10.642 5.852 ( 8.411 0.821 -14.624) 16.890 6.739 ( -23.264 13.474 1.538) 26.928 6.874 ( -2.116 8.045 11.184) 13.939 9.173 ( -6.981 2.242 -0.807) 7.376 9.896 ( -11.028 -0.113 0.648) 11.048 10.429 ( 1.844 -5.280 0.303) 5.601 11.231 ( -7.384 18.891 1.173) 20.317 12.502 ( 8.071 -8.809 -0.956) 11.985 12.734 ( -2.464 -5.484 -1.776) 6.269 15.957 ( 17.456 -2.948 3.158) 17.982======================= Grid point 1088 (385/580) =======================q-point: (-0.17 0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.015 ( -11.087 6.873 0.614) 13.059 4.440 ( -11.422 -4.328 -2.154) 12.403 5.871 ( -0.301 -3.733 -11.706) 12.290 6.426 ( -27.442 10.766 -0.213) 29.479 6.928 ( -2.807 4.896 8.020) 9.807 9.068 ( -8.651 4.482 1.040) 9.798 9.625 ( -17.799 -2.682 0.956) 18.025 10.370 ( -0.296 -11.238 -0.415) 11.250 11.252 ( -12.370 15.013 0.471) 19.459 12.433 ( 2.462 -8.571 -9.807) 13.255 12.839 ( 12.956 2.499 5.272) 14.209 16.303 ( 22.536 -0.738 2.399) 22.676======================= Grid point 1097 (386/580) =======================q-point: ( 0.33 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.940 ( 0.000 23.747 16.316) 28.812 3.220 ( 0.000 22.847 26.294) 34.833 3.963 ( -0.000 17.335 -11.580) 20.847 4.433 ( 0.000 27.402 17.860) 32.709 5.539 ( -0.000 54.220 -6.387) 54.595 6.745 ( -0.000 6.872 -10.855) 12.847 8.228 ( 0.000 9.735 0.855) 9.772 10.739 ( -0.000 -10.448 -3.567) 11.040 10.889 ( -0.000 -4.522 -0.591) 4.560 12.318 ( -0.000 15.741 -28.503) 32.561 15.375 ( 0.000 -26.779 19.636) 33.207 17.194 ( -0.000 0.401 -22.162) 22.165======================= Grid point 1098 (387/580) =======================q-point: ( 0.39 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.231 ( 4.170 17.492 12.423) 21.856 3.510 ( -0.058 21.909 21.212) 30.495 4.242 ( 11.620 24.263 -8.308) 28.156 4.778 ( 5.641 20.635 9.913) 23.577 6.063 ( 8.410 33.611 -12.095) 36.698 6.936 ( 7.019 30.460 -2.827) 31.385 8.380 ( 4.609 11.964 1.064) 12.865 10.569 ( -5.512 -11.702 -3.760) 13.471 10.861 ( 1.693 -3.049 -0.607) 3.540 12.393 ( 4.394 3.984 -19.908) 20.773 15.103 ( -4.814 -31.025 19.602) 37.014 17.081 ( -6.071 0.911 -21.258) 22.127======================= Grid point 1099 (388/580) =======================q-point: ( 0.44 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.504 ( 6.223 13.543 8.669) 17.242 3.798 ( 2.283 20.615 15.667) 25.993 4.759 ( 17.339 30.093 -4.609) 35.035 5.058 ( 6.516 10.191 0.997) 12.137 6.394 ( 8.427 16.623 -11.727) 22.020 7.581 ( 19.077 45.897 2.270) 49.756 8.627 ( 7.933 14.597 1.387) 16.672 10.307 ( -8.916 -12.495 -3.560) 15.758 10.890 ( 3.202 1.234 -0.854) 3.536 12.402 ( 3.116 -4.984 -14.241) 15.407 14.716 ( -9.714 -32.080 17.461) 37.794 16.879 ( -9.909 -1.749 -17.236) 19.959======================= Grid point 1100 (389/580) =======================q-point: ( 0.50 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.777 ( 7.099 13.399 5.651) 16.182 4.090 ( 4.469 17.809 12.105) 21.993 5.172 ( 4.237 4.406 -5.849) 8.460 5.403 ( 18.192 29.735 -4.358) 35.130 6.695 ( 10.589 16.258 -4.150) 19.841 8.384 ( 20.894 39.270 1.929) 44.524 8.944 ( 9.683 16.975 1.661) 19.613 10.022 ( -7.358 -12.307 -2.808) 14.611 10.997 ( 4.416 7.754 -1.277) 9.014 12.320 ( 0.601 -9.428 -11.221) 14.669 14.245 ( -14.117 -29.873 13.358) 35.639 16.607 ( -11.357 -6.829 -11.313) 17.424======================= Grid point 1101 (390/580) =======================q-point: ( 0.56 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.034 ( 4.270 14.906 2.889) 15.773 4.385 ( 7.612 13.596 10.161) 18.602 5.216 ( 3.598 -1.284 -11.545) 12.160 5.980 ( 13.729 29.979 -2.989) 33.108 7.042 ( 9.913 16.994 1.779) 19.754 8.987 ( 6.008 27.701 0.786) 28.356 9.298 ( 10.510 17.763 1.880) 20.725 9.867 ( 6.537 -10.819 -1.624) 12.745 11.194 ( 5.746 14.906 -1.295) 16.028 12.187 ( -0.475 -10.171 -9.319) 13.802 13.731 ( -16.813 -24.932 8.558) 31.266 16.293 ( -10.582 -12.351 -5.485) 17.164======================= Grid point 1102 (391/580) =======================q-point: ( 0.61 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.230 ( -0.328 16.260 1.049) 16.297 4.668 ( 8.587 8.008 7.586) 13.979 5.230 ( 4.745 -0.999 -14.446) 15.238 6.429 ( 8.028 22.531 -0.371) 23.921 7.352 ( 2.565 20.178 3.990) 20.728 9.154 ( -7.139 17.113 -0.449) 18.547 9.658 ( 9.411 16.927 2.141) 19.485 10.015 ( 17.224 -7.918 -0.853) 18.976 11.467 ( 5.628 18.201 -0.073) 19.051 12.066 ( 1.302 -9.229 -7.306) 11.842 13.249 ( -15.461 -17.568 4.051) 23.751 15.976 ( -7.911 -16.285 -1.180) 18.144======================= Grid point 1103 (392/580) =======================q-point: ( 0.67 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.353 ( -4.346 16.247 0.143) 16.818 4.844 ( 3.829 1.299 1.539) 4.326 5.306 ( 8.634 2.734 -13.336) 16.120 6.701 ( 4.141 9.986 4.513) 11.715 7.538 ( -9.828 27.675 2.611) 29.484 9.213 ( -2.488 13.490 -1.102) 13.762 9.944 ( 4.827 12.594 1.787) 13.605 10.194 ( 11.932 -6.543 -0.399) 13.614 11.666 ( -5.920 17.049 1.752) 18.132 12.037 ( 9.937 -11.025 -4.161) 15.414 12.915 ( -7.911 -8.418 -0.021) 11.552 15.708 ( -3.171 -16.925 1.174) 17.259======================= Grid point 1104 (393/580) =======================q-point: ( 0.72 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.403 ( -7.612 14.470 -0.054) 16.350 4.849 ( -1.915 -0.923 -4.063) 4.586 5.482 ( 11.121 3.758 -11.730) 16.595 6.811 ( 2.105 -2.259 9.707) 10.186 7.592 ( -20.290 35.075 0.016) 40.521 9.303 ( -1.134 9.113 -1.806) 9.359 10.066 ( -1.160 6.068 1.254) 6.304 10.311 ( 7.285 -4.271 0.518) 8.460 11.641 ( -14.717 18.286 2.581) 23.614 12.124 ( 13.832 -14.111 -1.485) 19.815 12.790 ( -1.263 -3.887 -2.177) 4.631 15.566 ( 4.617 -13.545 1.973) 14.446======================= Grid point 1105 (394/580) =======================q-point: (-0.22 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.380 ( -9.892 11.257 0.555) 14.996 4.758 ( -6.500 0.295 -4.908) 8.150 5.660 ( 9.947 1.562 -13.154) 16.565 6.808 ( 0.278 -8.085 11.934) 14.417 7.539 ( -26.353 35.010 -0.568) 43.824 9.314 ( -5.163 5.544 -1.455) 7.714 10.058 ( -6.048 3.021 1.159) 6.860 10.337 ( 2.227 -6.871 0.376) 7.233 11.614 ( -11.781 21.682 2.211) 24.774 12.208 ( 12.422 -14.252 -1.214) 18.945 12.711 ( -2.133 -5.323 -2.038) 6.086 15.628 ( 14.479 -8.279 1.887) 16.785======================= Grid point 1106 (395/580) =======================q-point: (-0.17 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.295 ( -11.465 8.057 1.805) 14.129 4.602 ( -10.686 0.501 -3.086) 11.134 5.755 ( 5.280 -1.533 -13.839) 14.891 6.738 ( -4.320 -5.825 8.465) 11.147 7.370 ( -27.852 24.761 2.071) 37.325 9.266 ( -6.859 8.224 -0.425) 10.718 9.895 ( -14.401 -0.636 1.520) 14.495 10.263 ( -0.644 -11.827 -0.447) 11.853 11.646 ( -11.986 20.453 1.032) 23.729 12.224 ( 6.617 -13.537 -5.513) 16.044 12.685 ( 6.508 -1.723 2.053) 7.038 15.891 ( 21.908 -4.743 0.995) 22.438======================= Grid point 1116 (396/580) =======================q-point: ( 0.39 0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.369 ( 0.000 12.198 7.682) 14.416 3.790 ( 0.000 20.300 19.565) 28.193 4.363 ( -0.000 27.577 -6.634) 28.364 4.954 ( 0.000 16.981 3.576) 17.354 6.236 ( -0.000 21.594 -12.552) 24.978 7.253 ( 0.000 45.865 0.816) 45.872 8.470 ( 0.000 13.829 0.998) 13.865 10.507 ( -0.000 -9.396 -3.425) 10.001 10.798 ( -0.000 -4.156 -0.449) 4.180 12.329 ( -0.000 -0.017 -14.220) 14.220 14.876 ( 0.000 -33.530 17.337) 37.747 17.078 ( -0.000 -0.341 -19.444) 19.447======================= Grid point 1117 (397/580) =======================q-point: ( 0.44 0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.535 ( 4.991 9.225 4.414) 11.380 4.031 ( -0.397 18.667 16.024) 24.605 4.760 ( 13.700 29.503 -3.755) 32.745 5.094 ( 1.021 8.713 -4.774) 9.987 6.433 ( 3.938 18.507 -7.666) 20.415 7.812 ( 9.017 46.631 1.372) 47.515 8.666 ( 5.160 15.802 1.061) 16.657 10.346 ( -7.812 -6.970 -2.842) 10.848 10.811 ( 5.165 -1.337 -0.494) 5.358 12.282 ( 1.002 -4.843 -9.705) 10.893 14.549 ( -4.045 -34.142 14.698) 37.391 16.952 ( -6.366 -3.074 -16.245) 17.717======================= Grid point 1118 (398/580) =======================q-point: ( 0.50 0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.759 ( 9.019 9.150 3.193) 13.239 4.255 ( 1.108 16.180 13.312) 20.982 5.137 ( 1.001 2.154 -10.662) 10.923 5.353 ( 20.186 30.027 -2.755) 36.286 6.703 ( 7.382 18.609 -1.966) 20.116 8.448 ( 15.463 35.594 0.473) 38.810 8.962 ( 8.855 17.901 1.252) 20.011 10.104 ( -12.220 -4.133 -2.117) 13.072 10.946 ( 8.369 5.346 -0.840) 9.967 12.199 ( -0.237 -7.880 -6.993) 10.538 14.154 ( -7.540 -32.542 11.541) 35.341 16.704 ( -11.185 -7.100 -12.020) 17.888======================= Grid point 1119 (399/580) =======================q-point: ( 0.56 0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.039 ( 10.516 10.565 2.476) 15.111 4.470 ( 2.528 12.739 11.699) 17.479 5.126 ( 1.393 -0.499 -13.143) 13.226 5.985 ( 18.411 28.384 -2.746) 33.943 7.042 ( 10.774 18.015 1.969) 21.083 9.025 ( 18.062 20.711 -0.363) 27.483 9.316 ( 9.597 18.991 1.352) 21.321 9.854 ( -12.580 -0.389 -1.307) 12.653 11.196 ( 9.796 13.183 -1.396) 16.484 12.081 ( -1.346 -8.715 -5.467) 10.375 13.721 ( -10.235 -28.586 8.197) 31.451 16.365 ( -13.382 -11.605 -7.553) 19.256======================= Grid point 1120 (400/580) =======================q-point: ( 0.61 0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.327 ( 7.814 12.990 1.336) 15.218 4.663 ( 3.967 7.736 10.120) 13.341 5.112 ( 2.682 -0.431 -13.584) 13.853 6.480 ( 10.124 20.459 -1.477) 22.875 7.450 ( 12.429 21.564 3.321) 25.110 9.447 ( 6.703 14.832 -0.616) 16.288 9.622 ( 4.776 9.375 -0.565) 10.537 9.737 ( 4.061 5.893 1.197) 7.256 11.508 ( 8.215 16.326 -1.842) 18.369 11.966 ( -0.271 -6.883 -4.166) 8.050 13.297 ( -11.158 -22.222 5.060) 25.376 15.984 ( -12.434 -15.450 -3.615) 20.158======================= Grid point 1121 (401/580) =======================q-point: ( 0.67 0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.554 ( 1.242 15.343 0.364) 15.397 4.804 ( 3.386 1.819 5.510) 6.718 5.153 ( 6.633 1.479 -11.333) 13.214 6.727 ( 3.051 7.459 2.038) 8.313 7.888 ( 6.137 29.936 1.985) 30.622 9.478 ( -11.211 15.512 -1.190) 19.176 9.862 ( 18.370 -5.546 -0.388) 19.193 9.986 ( 6.229 13.209 1.859) 14.722 11.698 ( 4.934 -2.773 -2.286) 6.104 11.972 ( 0.620 10.159 -1.428) 10.278 12.953 ( -8.173 -13.623 1.845) 15.994 15.629 ( -8.186 -17.286 -0.771) 19.142======================= Grid point 1122 (402/580) =======================q-point: ( 0.72 0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.663 ( -5.266 13.052 -0.287) 14.077 4.856 ( 0.427 2.000 0.414) 2.087 5.296 ( 10.338 2.283 -9.153) 13.995 6.781 ( 0.268 -3.021 5.821) 6.564 8.221 ( -7.623 36.741 0.229) 37.524 9.453 ( -6.327 10.253 -1.308) 12.119 10.076 ( 11.223 -3.401 0.397) 11.733 10.176 ( 2.098 8.795 1.224) 9.124 11.705 ( 10.755 -17.535 -1.431) 20.620 12.061 ( -8.368 17.696 1.731) 19.651 12.776 ( -2.171 -5.174 -1.715) 5.867 15.381 ( -0.570 -15.824 0.712) 15.850======================= Grid point 1123 (403/580) =======================q-point: (-0.22 0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.642 ( -8.137 7.305 0.413) 10.943 4.868 ( -4.223 6.318 -1.728) 7.793 5.468 ( 9.997 1.828 -10.628) 14.705 6.745 ( 0.452 -8.371 8.718) 12.095 8.330 ( -22.237 35.841 -0.513) 42.182 9.447 ( -3.553 6.425 -1.116) 7.426 10.171 ( 1.639 -1.014 0.831) 2.098 10.235 ( -1.433 1.468 0.616) 2.142 11.735 ( 14.577 -19.555 -1.138) 24.416 12.086 ( -9.375 19.593 3.134) 21.945 12.696 ( -2.591 -4.341 -2.966) 5.862 15.322 ( 9.457 -11.283 0.878) 14.748======================= Grid point 1124 (404/580) =======================q-point: (-0.17 0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.551 ( -9.491 4.621 2.685) 10.893 4.805 ( -9.755 6.085 -2.729) 11.817 5.599 ( 7.226 1.060 -12.717) 14.665 6.702 ( 1.380 -8.560 9.459) 12.831 8.160 ( -31.816 24.273 0.404) 40.020 9.461 ( -4.251 10.940 -1.025) 11.782 10.107 ( -7.460 -2.258 1.254) 7.894 10.161 ( -3.618 -8.258 0.155) 9.017 11.823 ( 13.950 -10.027 -3.341) 17.502 12.132 ( -10.577 16.648 2.300) 19.858 12.589 ( 0.158 -6.518 -0.521) 6.540 15.481 ( 18.428 -6.665 -0.014) 19.596======================= Grid point 1135 (405/580) =======================q-point: ( 0.44 0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.573 ( 0.000 6.717 1.622) 6.911 4.258 ( 0.000 15.894 15.130) 21.944 4.912 ( -0.000 28.413 -2.501) 28.523 5.128 ( -0.000 4.276 -11.826) 12.575 6.577 ( -0.000 19.844 -2.573) 20.010 8.173 ( 0.000 39.035 -0.091) 39.035 8.783 ( 0.000 16.770 0.695) 16.785 10.400 ( -0.000 2.634 -1.742) 3.158 10.723 ( -0.000 -3.093 -0.071) 3.094 12.204 ( -0.000 -5.007 -5.599) 7.511 14.279 ( 0.000 -34.437 11.661) 36.357 16.921 ( -0.000 -5.538 -14.146) 15.191======================= Grid point 1136 (406/580) =======================q-point: ( 0.50 0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.697 ( 6.658 6.094 0.736) 9.056 4.440 ( -0.412 12.963 14.202) 19.233 5.107 ( -0.043 1.460 -15.342) 15.411 5.317 ( 14.640 26.616 -2.084) 30.448 6.798 ( 3.171 18.744 0.689) 19.023 8.556 ( 7.012 24.899 -1.702) 25.923 9.011 ( 6.009 17.839 0.564) 18.833 10.332 ( -12.237 7.187 -0.620) 14.205 10.822 ( 10.600 3.504 0.018) 11.164 12.136 ( -1.203 -4.386 -2.925) 5.408 13.944 ( -3.023 -32.984 8.742) 34.257 16.752 ( -6.828 -8.577 -11.321) 15.759======================= Grid point 1137 (407/580) =======================q-point: ( 0.56 0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.926 ( 11.960 6.617 0.815) 13.693 4.596 ( 0.585 9.215 14.026) 16.792 5.072 ( 0.342 1.236 -16.032) 16.084 5.898 ( 21.442 25.517 -2.082) 33.395 7.056 ( 6.866 14.988 2.179) 16.629 8.892 ( 12.324 10.479 -2.526) 16.373 9.335 ( 9.744 18.147 0.692) 20.609 10.168 ( -15.273 9.490 -0.333) 17.984 11.113 ( 13.504 11.632 -0.127) 17.824 12.051 ( -3.721 -3.005 -1.638) 5.056 13.581 ( -5.166 -29.573 6.275) 30.670 16.454 ( -12.228 -11.558 -8.211) 18.723======================= Grid point 1138 (408/580) =======================q-point: ( 0.61 0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.231 ( 14.264 7.752 0.685) 16.249 4.722 ( 1.313 4.203 12.782) 13.519 5.057 ( 0.615 3.532 -13.843) 14.300 6.472 ( 15.301 21.633 -2.287) 26.596 7.379 ( 15.311 12.947 2.745) 20.238 9.186 ( 16.145 1.151 -1.963) 16.304 9.686 ( 9.715 16.737 0.929) 19.375 10.008 ( -15.170 11.897 -0.640) 19.290 11.491 ( 13.522 15.778 -1.152) 20.812 11.936 ( -5.308 -3.047 -0.972) 6.197 13.228 ( -6.283 -23.914 4.520) 25.135 16.067 ( -14.892 -13.792 -5.208) 20.955======================= Grid point 1139 (409/580) =======================q-point: ( 0.67 0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.555 ( 12.529 9.065 -0.075) 15.465 4.802 ( 1.959 0.709 8.052) 8.317 5.080 ( 0.946 4.799 -8.441) 9.756 6.770 ( 2.197 9.591 -0.925) 9.882 7.892 ( 22.812 19.792 1.768) 30.253 9.469 ( 17.849 -2.918 -0.528) 18.094 9.873 ( -13.505 13.957 -1.167) 19.456 9.999 ( 7.631 12.326 1.005) 14.532 11.701 ( -7.813 1.920 -2.615) 8.460 11.956 ( 12.663 8.358 -0.154) 15.173 12.931 ( -5.827 -16.194 3.274) 17.520 15.657 ( -13.936 -14.635 -2.619) 20.377======================= Grid point 1140 (410/580) =======================q-point: ( 0.72 0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.763 ( 2.507 2.661 -0.685) 3.720 4.916 ( 3.928 10.372 4.175) 11.851 5.134 ( 5.014 1.069 -5.510) 7.527 6.792 ( -2.921 -1.016 1.104) 3.285 8.485 ( 15.900 27.201 0.630) 31.513 9.651 ( 0.522 -1.916 -0.564) 2.064 9.857 ( 3.485 8.776 -0.180) 9.445 10.231 ( 5.816 10.674 0.754) 12.179 11.489 ( -6.958 -12.407 -1.413) 14.295 12.257 ( 5.962 13.357 -0.279) 14.629 12.743 ( -2.238 -7.899 1.225) 8.301 15.308 ( -8.661 -13.522 -0.714) 16.074======================= Grid point 1141 (411/580) =======================q-point: ( 0.78 0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.773 ( -2.175 1.615 -0.756) 2.813 5.032 ( -4.495 9.453 3.610) 11.072 5.281 ( 11.349 2.753 -7.538) 13.900 6.701 ( -2.700 -7.136 3.535) 8.409 8.914 ( -2.655 30.869 -0.078) 30.984 9.553 ( -5.308 -0.857 -0.642) 5.415 10.015 ( 7.101 -2.839 0.309) 7.654 10.419 ( -1.982 16.304 0.769) 16.442 11.275 ( 6.967 -23.954 -1.065) 24.969 12.393 ( -3.818 11.952 2.696) 12.833 12.688 ( -0.620 -2.034 -2.409) 3.214 15.117 ( 0.962 -10.019 0.132) 10.066======================= Grid point 1142 (412/580) =======================q-point: (-0.17 0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.727 ( -5.784 2.892 1.662) 6.677 5.001 ( -6.526 2.851 0.091) 7.122 5.473 ( 7.292 6.859 -9.427) 13.751 6.611 ( 0.764 -9.135 6.274) 11.108 8.889 ( -27.269 16.637 0.236) 31.944 9.571 ( 3.941 6.899 -0.947) 8.002 10.022 ( 0.470 -8.660 0.212) 8.676 10.382 ( -14.995 6.237 1.432) 16.303 11.354 ( 22.876 -12.881 -2.463) 26.369 12.454 ( -1.854 10.108 4.159) 11.086 12.579 ( -9.141 -2.960 -3.028) 10.075 15.152 ( 11.592 -5.168 -0.368) 12.698======================= Grid point 1154 (413/580) =======================q-point: ( 0.50 0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.688 ( 0.000 4.760 -0.238) 4.766 4.598 ( 0.000 8.570 15.113) 17.374 5.073 ( -0.000 1.773 -18.517) 18.601 5.422 ( 0.000 23.212 -1.119) 23.239 6.955 ( 0.000 16.390 1.955) 16.506 8.683 ( -0.000 14.145 -3.402) 14.548 9.133 ( 0.000 17.585 0.081) 17.585 10.633 ( 0.000 18.492 0.981) 18.518 10.673 ( 0.000 -2.167 0.395) 2.202 12.128 ( -0.000 1.154 -0.341) 1.203 13.668 ( 0.000 -31.458 5.960) 32.018 16.685 ( -0.000 -10.596 -9.736) 14.389======================= Grid point 1155 (414/580) =======================q-point: ( 0.56 0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.802 ( 7.900 4.441 -0.135) 9.063 4.703 ( -0.072 3.455 15.554) 15.933 5.045 ( -0.012 4.627 -17.313) 17.921 5.782 ( 16.116 20.499 -1.281) 26.107 7.120 ( 2.075 11.456 1.715) 11.768 8.821 ( 5.055 7.242 -3.684) 9.569 9.365 ( 6.549 17.097 -0.052) 18.309 10.495 ( -12.530 5.186 0.476) 13.569 10.984 ( 13.317 10.595 1.496) 17.083 12.141 ( -3.959 7.278 0.403) 8.295 13.367 ( -1.905 -27.847 3.917) 28.185 16.482 ( -7.057 -12.268 -7.718) 16.121======================= Grid point 1156 (415/580) =======================q-point: ( 0.61 0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.039 ( 13.969 4.550 0.102) 14.691 4.759 ( 0.528 -1.383 12.395) 12.483 5.071 ( 0.403 8.283 -10.976) 13.757 6.336 ( 23.287 19.514 -1.999) 30.448 7.270 ( 6.514 4.602 1.158) 8.059 8.990 ( 9.097 4.294 -2.501) 10.366 9.676 ( 9.710 15.319 0.037) 18.137 10.337 ( -12.081 5.922 -0.178) 13.455 11.329 ( 16.509 6.407 1.194) 17.749 12.116 ( -9.863 10.289 -0.121) 14.253 13.086 ( -2.843 -21.598 3.024) 21.994 16.163 ( -12.595 -12.752 -5.581) 18.772======================= Grid point 1157 (416/580) =======================q-point: ( 0.67 0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.356 ( 16.780 4.634 -0.284) 17.410 4.781 ( 1.476 -2.759 7.540) 8.163 5.139 ( -0.598 8.780 -3.349) 9.416 6.810 ( 7.656 13.599 -3.263) 15.944 7.559 ( 26.258 3.932 1.319) 26.584 9.206 ( 12.087 2.823 -0.669) 12.430 9.970 ( 8.545 10.458 0.049) 13.505 10.200 ( -11.291 7.710 -0.805) 13.695 11.699 ( 20.565 3.486 -0.189) 20.859 11.982 ( -16.100 7.358 -0.668) 17.714 12.868 ( -3.256 -13.122 3.048) 13.859 15.780 ( -15.447 -11.482 -3.534) 19.568======================= Grid point 1158 (417/580) =======================q-point: ( 0.72 0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.667 ( 12.153 2.192 -0.842) 12.378 4.835 ( 7.190 0.282 3.256) 7.898 5.189 ( -2.900 7.365 1.957) 8.154 6.865 ( -5.076 1.603 -3.219) 6.221 8.217 ( 35.854 11.217 0.744) 37.575 9.436 ( 12.009 -0.557 0.537) 12.034 10.090 ( -9.079 8.265 -1.096) 12.327 10.187 ( 6.891 5.983 0.078) 9.127 11.697 ( -21.232 0.565 -0.439) 21.244 12.095 ( 20.654 3.512 -1.983) 21.044 12.728 ( -3.142 -5.868 3.306) 7.432 15.404 ( -14.782 -8.493 -1.723) 17.135======================= Grid point 1159 (418/580) =======================q-point: ( 0.78 0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.768 ( 2.799 -0.706 0.220) 2.895 5.066 ( 11.910 -0.264 -3.907) 12.538 5.216 ( -2.341 10.187 6.774) 12.456 6.728 ( -6.815 -4.451 -2.393) 8.484 8.912 ( 28.263 13.063 0.269) 31.137 9.549 ( 2.224 -4.999 0.330) 5.482 10.018 ( -6.238 4.648 -0.284) 7.784 10.424 ( 15.023 6.751 -0.320) 16.473 11.269 ( -24.158 -6.443 0.306) 25.004 12.418 ( 11.099 3.816 -2.835) 12.074 12.663 ( -0.180 -2.474 2.948) 3.853 15.119 ( -9.516 -4.256 -0.370) 10.431======================= Grid point 1160 (419/580) =======================q-point: (-0.17 0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.801 ( 0.739 1.281 -0.000) 1.479 5.066 ( -3.064 -5.307 -0.000) 6.128 5.435 ( 7.406 12.828 -0.000) 14.812 6.563 ( -4.135 -7.162 -0.000) 8.270 9.379 ( -8.146 -14.109 -0.000) 16.291 9.406 ( 8.729 15.118 -0.000) 17.457 9.978 ( -0.283 -0.490 -0.000) 0.565 10.767 ( -11.976 -20.744 -0.000) 23.953 10.858 ( 12.651 21.913 0.000) 25.303 12.481 ( -2.039 -3.533 0.000) 4.079 12.695 ( 1.237 2.143 -0.000) 2.474 15.017 ( 0.358 0.620 -0.000) 0.716======================= Grid point 1174 (420/580) =======================q-point: ( 0.56 0.56 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.768 ( 0.000 3.477 -0.143) 3.480 4.753 ( 0.000 -2.068 13.451) 13.609 5.065 ( -0.000 8.482 -12.761) 15.323 5.809 ( 0.000 15.920 -0.725) 15.937 7.204 ( 0.000 7.326 0.288) 7.332 8.835 ( -0.000 6.459 -3.418) 7.308 9.469 ( 0.000 15.701 -0.312) 15.704 10.634 ( 0.000 -2.178 0.542) 2.244 10.954 ( 0.000 8.952 2.523) 9.301 12.301 ( 0.000 15.329 0.375) 15.334 13.133 ( 0.000 -23.309 2.353) 23.428 16.397 ( -0.000 -12.691 -6.587) 14.299======================= Grid point 1175 (421/580) =======================q-point: ( 0.61 0.56 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.876 ( 8.534 2.974 0.180) 9.039 4.757 ( 0.215 -3.949 9.834) 10.600 5.134 ( 0.279 10.013 -4.923) 11.161 6.111 ( 18.164 13.086 -0.989) 22.409 7.253 ( 0.262 2.032 -1.445) 2.507 8.927 ( 4.003 6.460 -1.895) 7.833 9.674 ( 6.453 13.405 -0.280) 14.880 10.537 ( -7.501 -0.008 0.191) 7.503 11.117 ( 10.935 0.388 1.956) 11.115 12.402 ( -6.665 14.458 -0.852) 15.943 12.938 ( -0.936 -14.468 2.278) 14.677 16.195 ( -6.865 -11.623 -5.168) 14.454======================= Grid point 1176 (422/580) =======================q-point: ( 0.67 0.56 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.110 ( 14.813 2.403 0.082) 15.007 4.751 ( 0.773 -3.942 7.462) 8.475 5.234 ( -0.006 9.808 1.205) 9.882 6.650 ( 26.573 13.150 -2.281) 29.736 7.258 ( 4.529 -4.678 -2.005) 6.813 9.085 ( 7.287 5.715 -0.015) 9.261 9.918 ( 7.942 8.356 -0.369) 11.534 10.415 ( -7.814 2.920 -0.486) 8.356 11.348 ( 17.987 -3.707 0.358) 18.368 12.335 ( -13.169 7.731 -1.113) 15.311 12.825 ( -2.495 -4.899 2.521) 6.049 15.913 ( -12.162 -8.352 -3.657) 15.200======================= Grid point 1177 (423/580) =======================q-point: ( 0.72 0.56 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.411 ( 17.122 1.110 -0.899) 17.181 4.759 ( 2.466 -3.178 5.623) 6.914 5.323 ( -1.844 8.693 5.495) 10.448 6.960 ( -3.383 4.121 -6.527) 8.428 7.584 ( 39.754 -1.129 0.888) 39.780 9.276 ( 8.899 2.957 1.081) 9.440 10.085 ( 6.023 2.050 -0.790) 6.411 10.321 ( -7.579 4.268 -0.530) 8.714 11.684 ( 24.419 -2.622 -1.814) 24.626 12.107 ( -20.085 4.698 0.273) 20.629 12.747 ( -3.237 -2.782 2.439) 4.916 15.605 ( -15.152 -3.312 -2.167) 15.660======================= Grid point 1178 (424/580) =======================q-point: (-0.22 -0.44 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.651 ( 9.642 -2.637 -1.490) 10.106 4.850 ( 10.329 -1.045 2.411) 10.658 5.379 ( -3.256 8.041 8.843) 12.388 6.817 ( -8.589 -2.648 -6.998) 11.391 8.325 ( 42.324 -1.218 0.495) 42.344 9.438 ( 7.629 0.184 0.889) 7.683 10.180 ( -2.943 1.006 -1.022) 3.274 10.239 ( 3.125 -0.655 -0.087) 3.194 11.727 ( -25.098 2.291 0.763) 25.214 12.113 ( 22.944 1.799 -2.727) 23.176 12.670 ( -2.925 -4.032 2.737) 5.684 15.329 ( -15.010 2.226 -0.753) 15.193======================= Grid point 1193 (425/580) =======================q-point: ( 0.61 0.61 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.826 ( 0.000 2.125 0.606) 2.210 4.740 ( 0.000 -4.441 8.476) 9.569 5.228 ( 0.000 10.374 0.948) 10.417 6.045 ( -0.000 8.128 -0.607) 8.151 7.259 ( -0.000 -0.032 -3.877) 3.877 8.958 ( 0.000 6.834 -0.269) 6.840 9.736 ( 0.000 10.613 0.019) 10.613 10.587 ( -0.000 -2.755 -0.018) 2.755 11.011 ( 0.000 -2.676 0.674) 2.759 12.550 ( -0.000 2.980 -2.146) 3.672 12.887 ( 0.000 1.433 2.727) 3.080 16.136 ( -0.000 -8.886 -4.377) 9.906======================= Grid point 1194 (426/580) =======================q-point: ( 0.67 0.61 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.921 ( 8.575 1.282 0.745) 8.702 4.721 ( 0.309 -4.656 7.524) 8.853 5.345 ( 0.038 10.644 5.931) 12.185 6.289 ( 20.561 5.137 -0.684) 21.204 7.214 ( -1.972 -2.837 -5.846) 6.790 9.053 ( 3.426 5.349 1.439) 6.513 9.872 ( 5.201 5.825 0.140) 7.810 10.524 ( -3.750 -0.752 -0.640) 3.878 11.056 ( 9.606 -5.183 -1.152) 10.976 12.511 ( -3.822 0.001 -1.118) 3.982 12.902 ( -4.490 4.081 1.964) 6.377 16.002 ( -6.415 -3.825 -3.438) 8.222======================= Grid point 1195 (427/580) =======================q-point: (-0.28 -0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.134 ( 14.490 -0.050 0.131) 14.490 4.706 ( 1.194 -4.960 6.192) 8.023 5.463 ( -1.291 9.789 9.514) 13.712 6.823 ( 33.886 4.559 -1.541) 34.226 7.101 ( -2.290 -7.148 -6.580) 9.981 9.178 ( 5.930 1.862 2.107) 6.564 9.996 ( 5.460 -0.083 -0.475) 5.481 10.450 ( -4.917 0.456 -0.746) 4.994 11.256 ( 19.523 -2.948 -2.164) 19.862 12.415 ( -10.184 3.356 0.379) 10.730 12.813 ( -6.359 -2.279 1.537) 6.928 15.828 ( -11.632 2.465 -2.439) 12.138======================= Grid point 1196 (428/580) =======================q-point: (-0.22 -0.39 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.389 ( 15.341 -2.530 -1.418) 15.613 4.713 ( 4.229 -4.952 4.762) 8.068 5.546 ( -3.190 8.063 11.781) 14.629 6.906 ( -7.588 -3.730 -9.596) 12.790 7.535 ( 43.519 -4.679 0.272) 43.771 9.301 ( 7.669 -1.326 1.436) 7.915 10.068 ( 5.818 -3.626 -1.118) 6.946 10.340 ( -7.235 -1.867 -0.093) 7.473 11.635 ( 24.749 0.113 -2.425) 24.868 12.194 ( -18.655 3.080 1.833) 18.997 12.696 ( -3.781 -3.796 1.284) 5.510 15.643 ( -14.964 8.117 -1.316) 17.075======================= Grid point 1212 (429/580) =======================q-point: (-0.33 -0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.858 ( 0.000 0.408 1.202) 1.270 4.691 ( 0.000 -5.418 7.132) 8.957 5.482 ( 0.000 11.524 10.529) 15.610 6.126 ( -0.000 0.376 -0.525) 0.646 7.184 ( -0.000 -3.326 -8.223) 8.870 9.073 ( 0.000 2.834 2.676) 3.898 9.863 ( 0.000 1.004 0.860) 1.322 10.538 ( -0.000 -1.181 -1.009) 1.553 10.921 ( -0.000 -3.853 -2.971) 4.865 12.540 ( -0.000 2.318 -0.607) 2.396 12.976 ( 0.000 -0.993 1.507) 1.805 16.040 ( -0.000 2.492 -3.131) 4.002======================= Grid point 1213 (430/580) =======================q-point: (-0.28 -0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.932 ( 8.112 -0.848 0.965) 8.213 4.654 ( 0.314 -6.437 5.978) 8.791 5.623 ( -1.286 10.560 13.626) 17.287 6.306 ( 21.912 -3.223 -0.054) 22.148 7.093 ( -2.848 -4.081 -10.232) 11.378 9.115 ( 2.788 -1.121 2.600) 3.974 9.886 ( 4.231 -4.975 0.489) 6.549 10.509 ( -2.582 0.015 -0.988) 2.765 10.972 ( 10.199 -0.533 -2.914) 10.621 12.562 ( -2.880 6.154 -0.194) 6.797 12.880 ( -5.393 -8.400 1.724) 10.130 16.034 ( -6.305 8.857 -2.769) 11.219======================= Grid point 1214 (431/580) =======================q-point: (-0.22 -0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.106 ( 13.215 -2.880 -0.094) 13.525 4.614 ( 1.686 -7.708 4.410) 9.039 5.719 ( -3.055 7.426 14.605) 16.667 6.740 ( 29.712 -12.477 0.717) 32.233 6.981 ( 1.445 0.821 -11.585) 11.704 9.164 ( 5.541 -3.975 1.284) 6.940 9.902 ( 5.868 -9.471 -0.646) 11.160 10.431 ( -5.702 -1.501 -0.111) 5.897 11.245 ( 20.039 2.377 -1.787) 20.258 12.487 ( -12.541 -0.065 2.435) 12.775 12.725 ( -2.981 -2.635 0.142) 3.981 15.981 ( -11.788 13.517 -2.152) 18.064======================= Grid point 1231 (432/580) =======================q-point: (-0.28 -0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.852 ( 0.000 -1.867 1.165) 2.201 4.599 ( 0.000 -7.814 5.210) 9.392 5.789 ( 0.000 9.566 16.546) 19.112 6.054 ( -0.000 -7.278 -0.396) 7.289 7.039 ( -0.000 -4.739 -11.674) 12.600 9.070 ( 0.000 -4.608 1.761) 4.933 9.770 ( 0.000 -10.476 0.802) 10.507 10.544 ( -0.000 2.308 -0.985) 2.509 10.874 ( -0.000 0.656 -2.221) 2.316 12.664 ( -0.000 9.274 -0.791) 9.308 12.821 ( 0.000 -13.248 2.600) 13.501 16.197 ( -0.000 14.197 -3.091) 14.529======================= Grid point 1232 (433/580) =======================q-point: (-0.22 -0.28 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.894 ( 7.311 -3.576 0.551) 8.158 4.526 ( 0.096 -9.744 3.779) 10.451 5.873 ( -2.551 3.351 14.544) 15.141 6.165 ( 20.325 -10.932 1.623) 23.136 6.948 ( -1.063 -2.862 -11.584) 11.980 9.039 ( 3.033 -6.583 0.038) 7.248 9.686 ( 4.356 -14.394 0.033) 15.039 10.518 ( -5.068 0.675 -0.223) 5.118 10.984 ( 11.918 0.773 -0.894) 11.976 12.617 ( -6.228 -10.756 6.292) 13.931 12.781 ( -1.211 10.256 -3.329) 10.851 16.290 ( -6.531 17.442 -3.102) 18.881======================= Grid point 1250 (434/580) =======================q-point: (-0.22 -0.22 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.790 ( 0.000 -4.915 0.345) 4.927 4.429 ( 0.000 -12.117 2.786) 12.433 5.833 ( -0.000 -14.641 -0.190) 14.642 5.970 ( 0.000 -3.214 12.708) 13.108 6.901 ( -0.000 -1.204 -8.049) 8.138 8.932 ( -0.000 -8.715 -1.684) 8.876 9.489 ( -0.000 -16.953 0.139) 16.953 10.600 ( 0.000 3.267 -0.205) 3.273 10.837 ( -0.000 -6.782 0.039) 6.782 12.586 ( 0.000 -7.535 9.950) 12.481 12.917 ( -0.000 15.360 -5.440) 16.295 16.522 ( -0.000 19.442 -3.830) 19.816======================= Grid point 1385 (435/580) =======================q-point: ( 0.22 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 580Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.321 ( 0.000 -0.000 33.867) 33.867 1.321 ( 0.000 -0.000 33.867) 33.867 2.748 ( 0.000 -0.000 72.733) 72.733 3.653 ( -0.000 0.000 -10.036) 10.036 3.653 ( -0.000 0.000 -10.036) 10.036 7.987 ( 0.000 -0.000 0.535) 0.535 7.987 ( 0.000 -0.000 0.535) 0.535 8.357 ( -0.000 0.000 -32.284) 32.284 11.059 ( -0.000 0.000 -0.555) 0.555 11.059 ( -0.000 0.000 -0.555) 0.555 15.728 ( 0.000 -0.000 5.632) 5.632 17.790 ( -0.000 0.000 -1.103) 1.103======================= Grid point 1386 (436/580) =======================q-point: ( 0.28 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.562 ( 15.297 8.832 29.114) 34.054 1.959 ( 30.004 17.323 30.474) 46.141 3.144 ( 18.283 10.556 61.741) 65.251 3.671 ( 4.034 2.329 -10.357) 11.357 3.827 ( 18.082 10.440 -11.439) 23.808 7.106 ( -19.532 -11.277 -7.508) 23.770 8.034 ( 3.104 1.792 0.602) 3.635 10.360 ( 93.116 53.761 -60.139) 123.197 11.031 ( -2.050 -1.183 -0.587) 2.439 11.052 ( 1.344 0.776 -3.645) 3.962 15.767 ( 0.974 0.562 6.463) 6.560 17.590 ( -14.874 -8.587 -3.174) 17.465======================= Grid point 1387 (437/580) =======================q-point: ( 0.33 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.104 ( 23.230 13.412 21.830) 34.584 2.563 ( 14.318 8.266 35.819) 39.450 3.782 ( 8.572 4.949 -10.382) 14.344 3.929 ( 30.653 17.698 35.854) 50.382 4.454 ( 41.122 23.742 -10.116) 48.549 6.816 ( -5.587 -3.226 -14.096) 15.502 8.134 ( 5.493 3.172 0.538) 6.366 10.911 ( -5.151 -2.974 -2.540) 6.468 10.966 ( -3.340 -1.929 -0.591) 3.902 11.897 ( 48.753 28.148 -51.289) 76.156 15.757 ( -5.999 -3.463 14.035) 15.652 17.196 ( -15.047 -8.687 -13.718) 22.137======================= Grid point 1388 (438/580) =======================q-point: ( 0.39 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.694 ( 21.689 12.522 15.740) 29.580 2.955 ( 12.902 7.449 29.552) 33.095 4.018 ( 14.886 8.594 -9.222) 19.506 4.621 ( 23.455 13.542 16.739) 31.839 5.548 ( 49.307 28.467 -6.263) 57.278 6.752 ( 5.509 3.181 -12.175) 13.737 8.293 ( 8.193 4.730 0.438) 9.471 10.726 ( -9.479 -5.473 -3.361) 11.450 10.881 ( -3.704 -2.138 -0.561) 4.313 12.521 ( 18.937 10.933 -31.467) 38.319 15.521 ( -19.819 -11.442 23.687) 32.936 16.881 ( -6.887 -3.976 -23.394) 24.709======================= Grid point 1389 (439/580) =======================q-point: ( 0.44 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.157 ( 14.987 8.653 9.287) 19.640 3.373 ( 16.943 9.782 20.481) 28.323 4.419 ( 21.465 12.393 -5.895) 25.477 5.110 ( 15.097 8.716 7.024) 18.794 6.350 ( 20.722 11.964 -15.345) 28.425 7.211 ( 36.435 21.036 1.673) 42.105 8.516 ( 11.061 6.386 0.366) 12.778 10.492 ( -8.667 -5.004 -3.340) 10.551 10.799 ( -3.209 -1.853 -0.476) 3.736 12.677 ( 3.070 1.772 -20.804) 21.104 15.015 ( -28.927 -16.701 21.122) 39.520 16.711 ( -3.489 -2.014 -18.175) 18.616======================= Grid point 1390 (440/580) =======================q-point: ( 0.50 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.455 ( 9.639 5.565 4.031) 11.838 3.849 ( 19.460 11.235 13.350) 26.137 4.929 ( 22.904 13.224 -2.656) 26.580 5.351 ( 6.085 3.513 -4.150) 8.160 6.683 ( 14.132 8.159 -7.559) 17.984 8.064 ( 30.874 17.825 2.459) 35.735 8.802 ( 13.553 7.825 0.282) 15.652 10.391 ( 2.758 1.592 -1.688) 3.604 10.733 ( -2.367 -1.367 -0.295) 2.749 12.599 ( -3.854 -2.225 -15.972) 16.580 14.364 ( -31.216 -18.022 13.466) 38.478 16.574 ( -5.338 -3.082 -8.296) 10.335======================= Grid point 1391 (441/580) =======================q-point: ( 0.56 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.647 ( 6.641 3.834 1.069) 7.743 4.326 ( 18.565 10.718 8.207) 22.954 5.411 ( 2.328 1.344 -12.960) 13.236 5.417 ( 19.288 11.136 -0.935) 22.291 6.947 ( 8.696 5.020 0.838) 10.076 8.551 ( 12.465 7.197 1.020) 14.429 9.133 ( 14.805 8.547 0.087) 17.095 10.642 ( 16.937 9.779 0.536) 19.564 10.685 ( -1.942 -1.121 0.014) 2.242 12.458 ( -3.338 -1.927 -12.169) 12.765 13.699 ( -28.219 -16.292 6.813) 33.289 16.405 ( -8.112 -4.683 -1.233) 9.447======================= Grid point 1392 (442/580) =======================q-point: ( 0.61 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.775 ( 4.484 2.589 -0.447) 5.196 4.723 ( 13.449 7.765 3.800) 15.988 5.414 ( 2.876 1.660 -18.249) 18.549 5.795 ( 13.413 7.744 -0.076) 15.488 7.065 ( 0.678 0.391 6.956) 7.000 8.776 ( 9.051 5.226 -0.363) 10.458 9.468 ( 13.892 8.020 -0.271) 16.043 10.637 ( -2.437 -1.407 0.440) 2.848 10.977 ( 7.991 4.613 1.326) 9.322 12.435 ( 4.341 2.506 -6.228) 7.995 13.160 ( -18.064 -10.429 1.540) 20.915 16.201 ( -9.346 -5.396 2.324) 11.039======================= Grid point 1393 (443/580) =======================q-point: ( 0.67 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.852 ( 2.470 1.426 -1.160) 3.079 4.912 ( 2.056 1.187 -3.532) 4.256 5.492 ( 9.588 5.535 -17.124) 20.391 6.030 ( 6.929 4.000 0.390) 8.010 7.050 ( -3.583 -2.069 10.964) 11.718 8.988 ( 8.983 5.186 -2.123) 10.587 9.747 ( 9.878 5.703 -0.746) 11.430 10.572 ( -3.174 -1.832 0.932) 3.781 10.985 ( -5.617 -3.243 2.401) 6.916 12.519 ( 0.725 0.419 0.002) 0.837 12.963 ( 1.405 0.811 -2.522) 2.998 16.018 ( -6.435 -3.715 3.553) 8.236======================= Grid point 1394 (444/580) =======================q-point: (-0.28 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.882 ( 0.397 0.229 -1.348) 1.424 4.837 ( -5.444 -3.143 -8.310) 10.420 5.722 ( 13.126 7.578 -15.486) 21.668 6.116 ( 0.371 0.214 0.589) 0.728 6.987 ( -4.846 -2.798 13.333) 14.460 9.126 ( 2.626 1.516 -2.959) 4.237 9.881 ( 1.051 0.607 -1.033) 1.593 10.517 ( -1.224 -0.707 1.204) 1.856 10.861 ( -3.733 -2.155 3.361) 5.466 12.528 ( 2.128 1.229 0.703) 2.556 13.011 ( -0.931 -0.537 -2.226) 2.472 15.974 ( 2.504 1.445 3.919) 4.870======================= Grid point 1395 (445/580) =======================q-point: (-0.22 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.862 ( -1.808 -1.044 -1.091) 2.356 4.655 ( -8.011 -4.625 -6.874) 11.525 5.941 ( 8.746 5.049 -16.736) 19.547 6.050 ( -6.217 -3.589 0.529) 7.198 6.922 ( -3.966 -2.290 14.001) 14.731 9.082 ( -5.125 -2.959 -0.972) 5.997 9.776 ( -9.312 -5.376 -0.610) 10.769 10.537 ( 2.253 1.301 0.746) 2.707 10.858 ( 1.615 0.933 1.326) 2.289 12.651 ( 8.036 4.639 1.907) 9.473 12.851 ( -10.942 -6.317 -3.859) 13.211 16.163 ( 12.288 7.095 4.232) 14.807======================= Grid point 1404 (446/580) =======================q-point: ( 0.28 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.813 ( 0.000 22.568 27.991) 35.956 1.949 ( 0.000 37.444 27.823) 46.650 3.309 ( 0.000 13.934 63.546) 65.056 3.622 ( -0.000 3.829 -11.960) 12.557 3.807 ( -0.000 21.811 -11.382) 24.602 7.084 ( -0.000 -24.023 -9.011) 25.657 8.000 ( 0.000 1.985 0.590) 2.071 10.198 ( -0.000 106.785 -55.835) 120.502 11.028 ( -0.000 -2.642 -1.555) 3.066 11.036 ( -0.000 -2.093 -0.573) 2.170 15.785 ( 0.000 1.098 6.351) 6.446 17.597 ( -0.000 -15.654 -3.415) 16.022======================= Grid point 1405 (447/580) =======================q-point: ( 0.33 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.149 ( 5.151 28.181 23.683) 37.170 2.572 ( 13.226 22.506 31.160) 40.650 3.676 ( 6.461 7.655 -7.220) 12.348 3.824 ( 16.853 19.283 39.561) 47.127 4.201 ( 18.517 36.022 -10.061) 41.733 6.814 ( -4.992 -8.699 -14.388) 17.538 8.077 ( 4.647 3.278 0.602) 5.719 10.938 ( -2.630 -2.180 -3.120) 4.627 10.987 ( -1.675 -2.206 -0.868) 2.903 11.368 ( 36.617 56.996 -50.290) 84.371 15.804 ( -0.722 -3.379 10.402) 10.961 17.304 ( -11.887 -13.825 -9.836) 20.717======================= Grid point 1406 (448/580) =======================q-point: ( 0.39 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.646 ( 11.835 25.264 18.891) 33.693 2.988 ( 6.468 13.285 30.846) 34.202 3.885 ( 10.518 12.696 -10.790) 19.704 4.435 ( 20.590 16.267 19.348) 32.602 5.116 ( 37.951 43.095 -3.238) 57.515 6.682 ( 0.876 0.807 -15.266) 15.312 8.220 ( 6.571 5.679 0.510) 8.700 10.784 ( -6.752 -8.321 -3.076) 11.148 10.922 ( -2.851 -1.894 -0.517) 3.461 12.184 ( 24.937 23.066 -34.531) 48.438 15.697 ( -8.576 -14.456 20.285) 26.344 16.943 ( -11.658 -4.464 -20.878) 24.325======================= Grid point 1407 (449/580) =======================q-point: ( 0.44 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.110 ( 9.948 18.354 12.954) 24.569 3.332 ( 9.330 13.657 23.483) 28.723 4.248 ( 15.774 20.161 -7.559) 26.691 4.950 ( 16.919 10.736 9.438) 22.149 6.061 ( 26.501 23.820 -12.554) 37.780 6.914 ( 22.895 21.990 -3.236) 31.910 8.423 ( 8.654 8.436 0.483) 12.095 10.543 ( -8.093 -10.603 -3.442) 13.776 10.856 ( -3.393 0.167 -0.570) 3.444 12.521 ( 9.986 4.403 -22.099) 24.647 15.315 ( -20.525 -23.195 22.099) 38.048 16.720 ( -5.669 1.041 -20.834) 21.617======================= Grid point 1408 (450/580) =======================q-point: ( 0.50 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.431 ( 6.079 13.273 6.573) 16.011 3.733 ( 13.647 14.299 16.784) 25.931 4.758 ( 18.192 24.180 -3.423) 30.452 5.253 ( 8.427 3.744 -1.673) 9.371 6.497 ( 15.297 11.936 -10.433) 22.029 7.754 ( 32.883 30.308 2.691) 44.800 8.690 ( 10.709 11.021 0.525) 15.376 10.325 ( -2.162 -9.720 -2.510) 10.269 10.813 ( -3.426 3.828 -0.567) 5.168 12.544 ( 0.739 -3.767 -16.347) 16.792 14.710 ( -27.218 -23.935 14.829) 39.161 16.594 ( -4.025 -1.841 -10.914) 11.777======================= Grid point 1409 (451/580) =======================q-point: ( 0.56 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.644 ( 3.257 11.214 2.489) 11.940 4.173 ( 15.806 13.056 11.749) 23.629 5.270 ( 12.601 14.477 -2.873) 19.407 5.364 ( 6.087 10.007 -9.444) 15.046 6.836 ( 12.297 9.920 -1.857) 15.908 8.443 ( 15.409 18.412 1.873) 24.082 9.010 ( 12.088 12.922 0.552) 17.703 10.334 ( 13.235 -6.185 -0.741) 14.627 10.828 ( -2.004 10.704 -0.236) 10.893 12.426 ( -2.077 -5.928 -13.130) 14.555 14.030 ( -28.311 -21.101 7.880) 36.178 16.454 ( -5.269 -6.480 -2.570) 8.738======================= Grid point 1410 (452/580) =======================q-point: ( 0.61 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.792 ( 1.127 10.092 0.370) 10.162 4.584 ( 14.179 9.894 7.378) 18.798 5.323 ( 2.439 -0.531 -16.294) 16.484 5.762 ( 9.471 23.253 -0.561) 25.114 7.065 ( 4.271 5.263 4.024) 7.883 8.728 ( 5.019 9.894 0.724) 11.118 9.354 ( 11.813 13.468 0.417) 17.919 10.508 ( 10.648 -8.310 -0.117) 13.508 10.997 ( 3.899 16.793 0.806) 17.258 12.336 ( 3.067 -3.775 -9.046) 10.271 13.402 ( -23.479 -15.729 2.996) 28.419 16.268 ( -6.568 -9.685 1.941) 11.862======================= Grid point 1411 (453/580) =======================q-point: ( 0.67 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.889 ( -0.826 9.035 -0.690) 9.099 4.856 ( 6.219 3.437 0.761) 7.147 5.345 ( 6.514 3.167 -17.070) 18.543 6.090 ( 2.527 21.457 0.405) 21.609 7.117 ( -2.585 0.095 8.114) 8.516 8.915 ( 6.480 8.708 -0.894) 10.892 9.669 ( 9.151 11.814 0.062) 14.944 10.536 ( 2.888 -6.884 0.276) 7.471 11.128 ( -6.279 8.502 1.239) 10.642 12.426 ( 9.581 -1.302 -2.559) 10.002 12.987 ( -9.495 -6.825 -1.043) 11.739 16.064 ( -5.632 -10.110 3.562) 12.108======================= Grid point 1412 (454/580) =======================q-point: ( 0.72 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.939 ( -2.769 7.788 -1.114) 8.340 4.860 ( -3.203 -2.346 -7.152) 8.180 5.525 ( 12.240 6.536 -13.593) 19.424 6.276 ( -5.379 20.161 0.669) 20.877 7.062 ( -4.124 -3.721 10.766) 12.115 9.092 ( 4.438 6.311 -2.636) 8.153 9.876 ( 3.211 6.875 -0.331) 7.595 10.509 ( 0.727 -3.881 0.986) 4.070 11.019 ( -11.335 5.078 2.675) 12.705 12.497 ( 2.331 -2.339 0.400) 3.327 12.942 ( 4.803 -2.471 -2.364) 5.896 15.935 ( 0.427 -6.644 3.717) 7.626======================= Grid point 1413 (455/580) =======================q-point: (-0.22 0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.941 ( -4.730 6.292 -1.058) 7.942 4.715 ( -6.580 -3.807 -7.311) 10.547 5.753 ( 11.366 4.526 -14.966) 19.331 6.305 ( -13.479 17.861 -0.006) 22.376 6.988 ( -2.974 -4.960 12.769) 14.018 9.138 ( -2.833 1.369 -2.358) 3.932 9.890 ( -6.224 0.715 -0.416) 6.279 10.500 ( 1.393 -1.990 0.998) 2.626 10.947 ( -5.255 9.099 2.567) 10.816 12.558 ( 6.443 0.844 0.678) 6.533 12.899 ( -4.175 -8.780 -2.405) 10.015 16.005 ( 10.845 -0.753 3.584) 11.446======================= Grid point 1423 (456/580) =======================q-point: ( 0.33 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.476 ( 0.000 27.097 22.060) 34.941 2.811 ( 0.000 28.883 27.709) 40.025 3.667 ( -0.000 8.937 -13.868) 16.498 3.997 ( 0.000 21.748 35.221) 41.394 4.448 ( -0.000 48.243 -3.612) 48.378 6.722 ( -0.000 -7.222 -15.696) 17.278 8.078 ( 0.000 5.600 0.894) 5.671 10.910 ( -0.000 -7.153 -2.404) 7.546 10.972 ( -0.000 -3.808 -0.610) 3.857 11.521 ( -0.000 57.054 -43.212) 71.571 15.792 ( 0.000 -7.996 12.598) 14.921 17.233 ( -0.000 -12.922 -13.744) 18.865======================= Grid point 1424 (457/580) =======================q-point: ( 0.39 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.841 ( 4.391 26.130 19.040) 32.628 3.168 ( 1.750 19.464 26.597) 33.005 3.817 ( 8.888 14.852 -12.771) 21.510 4.400 ( 10.506 20.573 19.656) 30.332 5.113 ( 17.291 52.278 -1.398) 55.081 6.635 ( 0.607 1.866 -15.460) 15.584 8.189 ( 4.467 7.544 0.950) 8.818 10.780 ( -4.304 -9.873 -3.123) 11.214 10.925 ( -0.643 -3.359 -0.547) 3.463 12.006 ( 13.853 30.057 -30.430) 44.959 15.688 ( -3.289 -18.671 18.728) 26.649 17.013 ( -7.727 -4.247 -20.886) 22.671======================= Grid point 1425 (458/580) =======================q-point: ( 0.44 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.220 ( 5.889 19.528 14.243) 24.877 3.452 ( 2.942 17.608 21.123) 27.656 4.188 ( 14.814 24.045 -8.439) 29.476 4.834 ( 12.905 13.875 10.325) 21.579 5.900 ( 19.634 32.496 -10.139) 39.298 6.818 ( 14.232 25.208 -5.467) 29.460 8.382 ( 7.191 10.231 0.952) 12.542 10.552 ( -7.575 -12.348 -3.475) 14.897 10.888 ( -0.693 -1.001 -0.596) 1.355 12.334 ( 10.268 8.273 -19.817) 23.803 15.391 ( -10.999 -28.325 21.084) 36.984 16.799 ( -8.168 2.478 -21.938) 23.540======================= Grid point 1426 (459/580) =======================q-point: ( 0.50 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.515 ( 4.808 15.105 8.551) 18.011 3.767 ( 6.610 17.406 16.027) 24.567 4.725 ( 16.837 29.927 -3.823) 34.550 5.136 ( 9.017 4.702 -0.135) 10.170 6.349 ( 13.740 16.300 -10.986) 23.982 7.576 ( 28.499 40.104 2.093) 49.243 8.644 ( 9.157 13.276 1.033) 16.161 10.278 ( -6.897 -13.417 -2.966) 15.375 10.885 ( -0.514 3.312 -0.789) 3.443 12.418 ( 3.550 -3.402 -14.284) 15.107 14.890 ( -18.896 -29.844 15.858) 38.719 16.635 ( -6.549 -0.004 -14.154) 15.595======================= Grid point 1427 (460/580) =======================q-point: ( 0.56 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.746 ( 2.442 14.694 3.959) 15.413 4.123 ( 10.479 15.230 12.972) 22.584 5.194 ( 6.354 4.458 -5.223) 9.356 5.359 ( 13.096 26.138 -5.642) 29.775 6.724 ( 13.587 15.028 -3.168) 20.505 8.395 ( 19.678 31.371 2.035) 37.087 8.964 ( 10.512 15.721 1.175) 18.948 10.093 ( 3.197 -11.759 -1.749) 12.311 10.944 ( 0.558 9.635 -0.790) 9.683 12.340 ( -0.513 -7.783 -11.728) 14.085 14.274 ( -23.461 -26.330 9.117) 36.426 16.467 ( -5.970 -6.543 -5.441) 10.395======================= Grid point 1428 (461/580) =======================q-point: ( 0.61 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.919 ( -0.241 14.801 1.314) 14.861 4.492 ( 11.777 11.747 10.256) 19.542 5.219 ( 2.782 -2.014 -13.872) 14.291 5.869 ( 10.483 30.393 -1.194) 32.172 7.056 ( 7.772 12.358 1.904) 14.723 8.811 ( 1.581 17.413 1.146) 17.522 9.319 ( 10.696 16.950 1.362) 20.089 10.178 ( 16.041 -8.393 -0.705) 18.118 11.110 ( 3.669 16.748 -0.032) 17.145 12.216 ( 0.396 -7.919 -9.552) 12.414 13.645 ( -23.378 -20.572 4.066) 31.405 16.263 ( -5.827 -12.163 0.232) 13.489======================= Grid point 1429 (462/580) =======================q-point: ( 0.67 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.042 ( -2.685 14.488 0.016) 14.734 4.787 ( 7.745 5.684 5.558) 11.098 5.220 ( 4.819 1.018 -16.153) 16.888 6.294 ( 5.015 27.878 0.807) 28.337 7.218 ( -2.468 8.441 4.715) 9.978 8.951 ( 0.589 12.146 0.112) 12.161 9.658 ( 8.622 15.721 1.185) 17.969 10.341 ( 10.867 -8.052 -0.421) 13.531 11.333 ( -1.319 16.562 0.860) 16.637 12.195 ( 9.349 -6.206 -5.530) 12.510 13.126 ( -16.671 -12.671 0.496) 20.946 16.036 ( -4.799 -14.804 2.790) 15.810======================= Grid point 1430 (463/580) =======================q-point: ( 0.72 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.115 ( -4.985 13.577 -0.483) 14.471 4.861 ( -1.003 -1.119 -4.226) 4.485 5.351 ( 10.480 5.552 -11.537) 16.545 6.605 ( -0.664 25.857 2.733) 26.010 7.184 ( -9.881 4.607 5.924) 12.408 9.099 ( 2.933 10.174 -1.473) 10.690 9.907 ( 3.655 10.662 0.817) 11.301 10.407 ( 5.878 -5.662 0.366) 8.170 11.338 ( -13.361 12.459 1.459) 18.327 12.333 ( 11.789 -7.263 -0.916) 13.877 12.868 ( -2.694 -4.578 -2.047) 5.693 15.847 ( -0.747 -13.397 3.281) 13.813======================= Grid point 1431 (464/580) =======================q-point: (-0.22 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.137 ( -7.132 12.035 -0.418) 13.996 4.765 ( -5.156 -2.228 -6.812) 8.829 5.562 ( 11.044 4.418 -12.058) 16.937 6.803 ( -9.317 28.266 3.037) 29.917 7.036 ( -9.669 -2.412 7.522) 12.485 9.199 ( -1.115 5.866 -2.399) 6.435 9.991 ( -2.545 4.334 0.609) 5.063 10.443 ( 2.842 -3.853 0.858) 4.864 11.235 ( -12.641 15.355 2.419) 20.035 12.419 ( 8.079 -6.539 -0.392) 10.401 12.829 ( 0.916 -6.773 -1.942) 7.106 15.804 ( 8.073 -8.322 2.887) 11.948======================= Grid point 1442 (465/580) =======================q-point: ( 0.39 0.39 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.088 ( 0.000 20.251 16.067) 25.851 3.446 ( 0.000 20.653 23.224) 31.079 3.850 ( -0.000 19.387 -13.249) 23.481 4.588 ( 0.000 21.666 15.612) 26.705 5.490 ( -0.000 50.012 -3.751) 50.153 6.639 ( -0.000 12.007 -12.302) 17.190 8.237 ( 0.000 9.743 1.191) 9.816 10.708 ( -0.000 -10.741 -3.265) 11.227 10.884 ( -0.000 -4.493 -0.575) 4.529 12.087 ( -0.000 22.080 -22.073) 31.221 15.553 ( 0.000 -26.127 19.516) 32.611 16.989 ( -0.000 -0.159 -22.815) 22.815======================= Grid point 1443 (466/580) =======================q-point: ( 0.44 0.39 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.336 ( 4.223 13.554 10.571) 17.700 3.690 ( -1.149 19.701 17.790) 26.569 4.168 ( 12.686 26.834 -7.829) 30.697 4.862 ( 4.583 15.235 8.431) 18.005 5.959 ( 7.347 29.937 -10.598) 32.596 6.909 ( 8.491 36.717 -3.040) 37.809 8.391 ( 4.645 11.987 1.216) 12.913 10.537 ( -5.570 -11.696 -3.303) 13.369 10.855 ( 1.643 -3.054 -0.548) 3.510 12.236 ( 4.638 8.093 -14.359) 17.123 15.279 ( -4.608 -32.553 18.954) 37.949 16.885 ( -5.565 2.882 -21.714) 22.600======================= Grid point 1444 (467/580) =======================q-point: ( 0.50 0.39 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.574 ( 6.509 10.970 6.628) 14.375 3.933 ( 1.299 19.132 13.417) 23.404 4.719 ( 18.045 31.377 -3.990) 36.415 5.060 ( 4.835 4.947 -0.384) 6.928 6.299 ( 9.245 20.045 -8.886) 23.796 7.597 ( 19.508 46.257 1.315) 50.219 8.639 ( 8.007 14.683 1.231) 16.770 10.278 ( -8.865 -12.260 -2.911) 15.407 10.883 ( 3.053 1.142 -0.726) 3.340 12.293 ( 2.820 -2.551 -9.799) 10.511 14.866 ( -10.247 -34.189 15.218) 38.801 16.726 ( -8.225 0.604 -16.119) 18.106======================= Grid point 1445 (468/580) =======================q-point: ( 0.56 0.39 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.822 ( 6.695 12.094 4.313) 14.481 4.196 ( 4.124 17.002 10.932) 20.630 5.115 ( 2.956 -0.222 -6.468) 7.115 5.366 ( 18.376 31.435 -3.427) 36.573 6.663 ( 11.919 19.369 -2.704) 22.903 8.399 ( 21.013 38.719 1.317) 44.073 8.958 ( 9.755 17.066 1.256) 19.697 9.999 ( -7.128 -12.032 -2.074) 14.138 10.986 ( 4.327 7.573 -1.002) 8.780 12.233 ( -0.073 -7.718 -7.822) 10.989 14.351 ( -15.325 -31.326 9.919) 36.257 16.514 ( -9.015 -5.567 -8.856) 13.809======================= Grid point 1446 (469/580) =======================q-point: ( 0.61 0.39 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.056 ( 3.515 14.415 1.982) 14.969 4.480 ( 7.280 13.035 10.428) 18.212 5.110 ( 2.363 -2.788 -11.526) 12.091 5.958 ( 14.245 30.218 -1.773) 33.454 7.056 ( 10.821 18.656 1.211) 21.601 8.994 ( 5.764 27.048 0.879) 27.669 9.313 ( 10.776 17.825 1.439) 20.879 9.854 ( 6.888 -10.624 -1.194) 12.718 11.184 ( 6.072 14.705 -0.868) 15.933 12.113 ( -1.063 -8.669 -6.863) 11.108 13.794 ( -18.193 -25.598 5.142) 31.823 16.255 ( -8.437 -12.196 -2.821) 15.096======================= Grid point 1447 (470/580) =======================q-point: ( 0.67 0.39 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.237 ( -0.760 16.144 0.491) 16.170 4.744 ( 6.880 6.917 9.029) 13.293 5.099 ( 4.014 -0.539 -14.406) 14.964 6.429 ( 9.195 23.374 0.510) 25.123 7.382 ( 2.922 20.157 2.491) 20.520 9.153 ( -7.253 16.496 0.217) 18.021 9.675 ( 9.393 17.027 1.619) 19.514 10.008 ( 17.325 -7.832 -0.589) 19.023 11.468 ( 6.562 18.153 0.340) 19.305 12.007 ( 1.321 -7.936 -5.717) 9.870 13.275 ( -16.803 -17.911 1.567) 24.609 15.975 ( -6.479 -16.712 0.850) 17.944======================= Grid point 1448 (471/580) =======================q-point: ( 0.72 0.39 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.354 ( -4.538 16.339 0.047) 16.957 4.852 ( 0.385 -0.222 -0.069) 0.450 5.199 ( 9.288 4.397 -9.798) 14.199 6.741 ( 5.775 11.715 4.217) 13.725 7.557 ( -9.944 26.191 1.493) 28.055 9.205 ( -2.819 13.095 -0.624) 13.409 9.958 ( 4.607 12.635 1.330) 13.514 10.192 ( 12.197 -6.352 -0.004) 13.752 11.681 ( -5.887 17.722 1.589) 18.742 12.004 ( 11.538 -10.642 -2.921) 15.966 12.909 ( -9.022 -8.827 -1.316) 12.691 15.724 ( -2.500 -17.510 2.288) 17.835======================= Grid point 1449 (472/580) =======================q-point: ( 0.78 0.39 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.405 ( -7.633 14.787 0.383) 16.645 4.808 ( -3.320 -0.252 -5.051) 6.049 5.388 ( 10.094 3.596 -8.846) 13.895 6.892 ( 3.846 -1.393 8.243) 9.202 7.590 ( -20.652 34.262 -0.419) 40.007 9.288 ( -1.477 9.211 -1.550) 9.457 10.077 ( -1.233 6.112 1.082) 6.328 10.316 ( 7.440 -4.285 0.552) 8.604 11.664 ( -14.670 18.907 2.403) 24.052 12.113 ( 14.223 -14.410 -0.988) 20.271 12.769 ( -1.224 -4.099 -2.446) 4.928 15.585 ( 4.823 -14.113 2.197) 15.075======================= Grid point 1461 (473/580) =======================q-point: ( 0.44 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.429 ( 0.000 8.909 5.206) 10.318 3.950 ( 0.000 18.565 14.982) 23.856 4.307 ( -0.000 30.156 -5.497) 30.653 4.979 ( 0.000 10.169 2.193) 10.403 6.136 ( -0.000 23.494 -9.251) 25.249 7.257 ( 0.000 47.841 -0.022) 47.841 8.480 ( 0.000 13.704 1.158) 13.753 10.478 ( -0.000 -9.133 -2.988) 9.609 10.794 ( -0.000 -4.049 -0.363) 4.065 12.225 ( -0.000 3.051 -8.546) 9.074 15.029 ( 0.000 -35.646 16.299) 39.196 16.898 ( -0.000 2.235 -19.817) 19.943======================= Grid point 1462 (474/580) =======================q-point: ( 0.50 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.566 ( 5.514 7.368 2.461) 9.526 4.158 ( -0.905 18.116 11.057) 21.243 4.730 ( 13.809 30.651 -2.880) 33.741 5.049 ( 0.974 2.699 -4.256) 5.133 6.377 ( 4.073 22.328 -4.640) 23.166 7.819 ( 9.199 46.157 0.333) 47.066 8.675 ( 5.260 15.644 1.008) 16.535 10.322 ( -7.841 -6.391 -2.360) 10.387 10.807 ( 4.995 -1.248 -0.375) 5.162 12.216 ( 0.598 -2.773 -4.595) 5.401 14.676 ( -4.149 -36.431 12.924) 38.877 16.804 ( -5.616 -0.588 -15.924) 16.895======================= Grid point 1463 (475/580) =======================q-point: ( 0.56 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.783 ( 9.680 8.017 2.028) 12.731 4.360 ( 0.689 16.767 8.857) 18.975 5.050 ( 1.092 -1.745 -7.730) 7.999 5.330 ( 19.992 30.405 -2.180) 36.454 6.690 ( 7.760 21.156 -0.882) 22.551 8.448 ( 15.777 34.529 -0.387) 37.965 8.972 ( 9.011 17.761 0.839) 19.934 10.087 ( -12.285 -3.435 -1.500) 12.844 10.940 ( 8.077 5.413 -0.620) 9.743 12.155 ( -1.079 -6.334 -2.767) 6.996 14.248 ( -7.932 -34.397 9.103) 36.454 16.599 ( -9.786 -5.423 -10.861) 15.592======================= Grid point 1464 (476/580) =======================q-point: ( 0.61 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.058 ( 10.650 9.822 1.710) 14.588 4.566 ( 2.234 13.944 8.893) 16.688 5.018 ( 1.249 -2.756 -9.777) 10.234 5.963 ( 18.407 28.440 -1.936) 33.932 7.057 ( 11.285 19.276 1.219) 22.370 9.019 ( 18.622 19.612 -0.748) 27.055 9.326 ( 9.670 18.921 0.651) 21.259 9.845 ( -12.585 0.201 -0.638) 12.602 11.185 ( 9.538 13.101 -0.962) 16.233 12.046 ( -2.346 -7.305 -2.232) 7.991 13.784 ( -10.891 -29.641 5.521) 32.058 16.303 ( -11.691 -10.946 -5.886) 17.062======================= Grid point 1465 (477/580) =======================q-point: ( 0.67 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.336 ( 7.518 12.624 0.731) 14.711 4.758 ( 3.052 8.037 10.491) 13.564 4.993 ( 2.456 -0.664 -12.273) 12.534 6.469 ( 11.053 20.731 -0.805) 23.507 7.473 ( 12.481 21.660 1.711) 25.057 9.443 ( 7.104 14.132 -0.362) 15.821 9.617 ( 4.264 7.696 -0.442) 8.809 9.747 ( 4.748 7.778 0.792) 9.147 11.495 ( 8.431 15.685 -1.010) 17.836 11.938 ( -1.093 -5.225 -2.086) 5.731 13.332 ( -12.058 -22.518 2.623) 25.678 15.958 ( -10.880 -15.564 -1.948) 19.089======================= Grid point 1466 (478/580) =======================q-point: ( 0.72 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.555 ( 1.177 15.067 0.036) 15.112 4.851 ( 0.237 0.345 4.245) 4.266 5.062 ( 7.463 3.797 -8.025) 11.598 6.745 ( 4.770 7.715 1.748) 9.238 7.901 ( 5.785 29.502 0.791) 30.074 9.470 ( -11.238 15.062 -0.660) 18.804 9.861 ( 18.573 -5.250 0.127) 19.302 9.999 ( 6.283 13.051 0.982) 14.518 11.684 ( 5.473 -4.151 -0.751) 6.910 11.961 ( 0.856 12.325 -0.842) 12.383 12.961 ( -9.517 -13.653 0.012) 16.642 15.628 ( -7.117 -17.768 0.478) 19.146======================= Grid point 1467 (479/580) =======================q-point: ( 0.78 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.662 ( -4.809 12.242 0.145) 13.153 4.854 ( -1.867 3.915 -1.015) 4.454 5.226 ( 9.458 2.213 -6.098) 11.469 6.829 ( 2.249 -3.237 4.648) 6.094 8.221 ( -8.034 36.584 -0.269) 37.457 9.443 ( -6.374 10.227 -0.974) 12.090 10.081 ( 11.481 -3.501 0.776) 12.028 10.185 ( 1.869 8.836 0.595) 9.051 11.697 ( 11.164 -17.875 -0.456) 21.080 12.077 ( -7.768 18.741 1.893) 20.376 12.756 ( -3.085 -5.450 -2.643) 6.797 15.390 ( -0.123 -16.380 1.300) 16.432======================= Grid point 1480 (480/580) =======================q-point: ( 0.50 0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.581 ( 0.000 5.833 0.173) 5.836 4.371 ( 0.000 16.509 8.379) 18.513 4.892 ( 0.000 29.128 -1.695) 29.177 5.033 ( -0.000 -0.767 -7.696) 7.734 6.562 ( 0.000 22.583 -0.853) 22.600 8.167 ( 0.000 37.856 -1.143) 37.873 8.790 ( 0.000 16.509 0.678) 16.523 10.385 ( -0.000 3.635 -1.469) 3.920 10.723 ( -0.000 -2.916 0.033) 2.916 12.176 ( -0.000 -3.559 -0.621) 3.613 14.377 ( 0.000 -36.714 9.915) 38.029 16.792 ( -0.000 -3.224 -13.954) 14.322======================= Grid point 1481 (481/580) =======================q-point: ( 0.56 0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.700 ( 7.084 5.680 -0.079) 9.081 4.544 ( -0.480 15.208 6.890) 16.702 4.992 ( 0.319 -2.625 -8.147) 8.565 5.301 ( 14.500 27.000 -1.461) 30.682 6.805 ( 3.129 20.084 0.779) 20.341 8.536 ( 7.248 23.680 -2.481) 24.888 9.015 ( 6.103 17.588 0.357) 18.620 10.327 ( -12.408 8.094 -0.392) 14.820 10.822 ( 10.420 3.838 0.053) 11.105 12.129 ( -1.686 -3.490 1.376) 4.113 14.016 ( -3.037 -34.947 6.915) 35.754 16.650 ( -6.249 -6.774 -10.897) 14.272======================= Grid point 1482 (482/580) =======================q-point: ( 0.61 0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.931 ( 12.372 6.263 0.385) 13.872 4.708 ( 0.417 12.837 8.483) 15.392 4.949 ( 0.708 -2.251 -8.770) 9.082 5.881 ( 21.192 25.499 -1.653) 33.197 7.071 ( 7.064 15.435 1.056) 17.007 8.868 ( 12.790 9.880 -2.699) 16.385 9.338 ( 9.937 18.031 0.093) 20.588 10.167 ( -15.470 9.734 0.002) 18.277 11.112 ( 13.001 12.046 -0.143) 17.724 12.052 ( -4.426 -2.517 1.779) 5.394 13.630 ( -5.191 -30.895 4.462) 31.645 16.382 ( -11.272 -10.446 -7.472) 17.088======================= Grid point 1483 (483/580) =======================q-point: ( 0.67 0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.236 ( 14.350 7.341 0.430) 16.124 4.842 ( -0.014 3.473 13.646) 14.081 4.938 ( 1.493 5.378 -12.350) 13.553 6.452 ( 15.486 21.360 -1.920) 26.453 7.396 ( 15.525 12.954 0.969) 20.243 9.170 ( 16.735 1.303 -1.584) 16.861 9.690 ( 9.908 16.715 0.019) 19.431 10.004 ( -15.285 11.580 -0.181) 19.177 11.481 ( 12.703 15.769 -1.033) 20.276 11.939 ( -5.757 -2.647 1.548) 6.523 13.262 ( -6.415 -24.393 2.831) 25.381 16.024 ( -13.776 -13.344 -4.257) 19.646======================= Grid point 1484 (484/580) =======================q-point: ( 0.72 0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.555 ( 12.412 8.620 0.008) 15.112 4.860 ( 0.577 -1.641 3.362) 3.785 5.028 ( 0.909 8.769 -1.613) 8.962 6.759 ( 3.355 9.084 -1.431) 9.789 7.902 ( 22.636 19.593 0.510) 29.942 9.467 ( 18.256 -2.538 0.043) 18.431 9.864 ( -13.673 13.747 -0.670) 19.401 10.003 ( 7.925 12.075 0.023) 14.443 11.685 ( -7.264 2.371 -0.912) 7.696 11.956 ( 11.595 7.805 0.303) 13.981 12.953 ( -6.397 -15.857 1.728) 17.186 15.638 ( -12.896 -14.666 -1.659) 19.600======================= Grid point 1485 (485/580) =======================q-point: ( 0.78 0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.760 ( 1.835 3.179 -0.000) 3.671 4.937 ( 5.393 9.342 -0.000) 10.787 5.107 ( 1.764 3.055 0.000) 3.528 6.797 ( -1.120 -1.940 -0.000) 2.240 8.488 ( 15.683 27.164 -0.000) 31.366 9.648 ( -0.680 -1.177 -0.000) 1.360 9.856 ( 4.721 8.176 -0.000) 9.441 10.234 ( 6.032 10.448 -0.000) 12.065 11.483 ( -7.038 -12.190 -0.000) 14.076 12.256 ( 7.302 12.647 -0.000) 14.604 12.748 ( -4.075 -7.057 -0.000) 8.149 15.305 ( -7.960 -13.788 -0.000) 15.921======================= Grid point 1500 (486/580) =======================q-point: ( 0.56 0.56 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.684 ( -0.000 4.784 -0.619) 4.824 4.711 ( 0.000 13.278 6.070) 14.599 4.938 ( -0.000 -2.813 -7.417) 7.933 5.413 ( 0.000 23.359 -0.782) 23.372 6.968 ( 0.000 16.592 0.971) 16.621 8.650 ( -0.000 13.518 -3.764) 14.032 9.133 ( 0.000 17.336 0.050) 17.336 10.641 ( 0.000 19.516 0.687) 19.528 10.676 ( 0.000 -2.028 0.389) 2.065 12.142 ( 0.000 1.152 3.355) 3.547 13.716 ( 0.000 -33.174 4.485) 33.476 16.597 ( -0.000 -8.968 -9.556) 13.105======================= Grid point 1501 (487/580) =======================q-point: ( 0.61 0.56 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.800 ( 8.081 4.545 -0.218) 9.274 4.848 ( -0.273 7.026 14.157) 15.807 4.900 ( 0.526 2.433 -12.560) 12.805 5.771 ( 15.786 20.559 -1.013) 25.940 7.128 ( 2.169 10.954 -0.020) 11.167 8.788 ( 5.334 7.431 -3.449) 9.776 9.364 ( 6.597 16.949 -0.208) 18.189 10.499 ( -12.726 5.192 0.461) 13.752 10.996 ( 13.023 11.401 0.987) 17.337 12.158 ( -4.217 6.414 3.216) 8.323 13.397 ( -1.766 -28.962 2.750) 29.146 16.412 ( -6.672 -11.005 -7.511) 14.901======================= Grid point 1502 (488/580) =======================q-point: ( 0.67 0.56 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.040 ( 14.011 4.506 0.121) 14.718 4.854 ( -0.019 -4.113 5.753) 7.072 5.006 ( 0.840 12.947 -0.689) 12.992 6.319 ( 22.735 19.320 -1.770) 29.888 7.271 ( 7.121 3.972 -0.963) 8.211 8.969 ( 9.541 4.999 -1.856) 10.930 9.674 ( 9.810 15.241 -0.464) 18.131 10.336 ( -12.358 5.758 0.062) 13.633 11.337 ( 15.836 6.923 0.534) 17.292 12.125 ( -10.015 8.966 1.977) 13.586 13.109 ( -2.616 -21.909 2.148) 22.169 16.113 ( -11.979 -11.911 -5.250) 17.690======================= Grid point 1503 (489/580) =======================q-point: ( 0.72 0.56 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.355 ( 16.577 4.336 -0.123) 17.135 4.835 ( 0.398 -2.895 3.940) 4.905 5.137 ( -0.346 11.051 3.371) 11.559 6.777 ( 7.643 12.529 -3.830) 15.168 7.565 ( 26.741 4.018 -0.140) 27.041 9.202 ( 12.468 3.491 -0.015) 12.948 9.967 ( 8.655 10.295 -0.684) 13.467 10.194 ( -11.485 7.618 -0.407) 13.788 11.693 ( 19.390 3.792 -1.026) 19.784 11.985 ( -15.653 6.135 1.254) 16.859 12.892 ( -3.103 -12.916 2.331) 13.487 15.749 ( -14.737 -11.021 -3.100) 18.661======================= Grid point 1520 (490/580) =======================q-point: ( 0.61 0.61 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.768 ( 0.000 3.768 0.032) 3.768 4.854 ( 0.000 -4.057 4.596) 6.130 4.992 ( 0.000 12.793 0.695) 12.812 5.803 ( 0.000 15.940 -0.611) 15.951 7.196 ( -0.000 6.243 -1.968) 6.546 8.807 ( -0.000 7.356 -2.699) 7.835 9.466 ( 0.000 15.669 -0.178) 15.670 10.638 ( 0.000 -2.238 0.320) 2.261 10.973 ( 0.000 9.255 1.705) 9.411 12.313 ( 0.000 13.566 2.230) 13.748 13.151 ( 0.000 -23.663 1.724) 23.726 16.336 ( -0.000 -11.524 -6.592) 13.276======================= Grid point 1521 (491/580) =======================q-point: ( 0.67 0.61 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.878 ( 8.477 3.195 0.418) 9.068 4.831 ( 0.003 -3.703 5.732) 6.824 5.127 ( 0.384 12.280 3.932) 12.900 6.103 ( 17.833 13.134 -0.882) 22.165 7.228 ( 0.577 0.817 -3.926) 4.051 8.914 ( 4.155 7.671 -0.927) 8.774 9.672 ( 6.346 13.488 -0.238) 14.908 10.538 ( -7.616 -0.279 0.031) 7.621 11.131 ( 10.744 -0.082 0.949) 10.786 12.399 ( -6.537 12.602 0.333) 14.201 12.958 ( -0.894 -13.937 2.052) 14.116 16.148 ( -6.608 -10.684 -5.207) 13.598======================= Grid point 1523 (492/580) =======================q-point: (-0.28 -0.39 -0.78)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.111 ( 14.527 2.403 0.313) 14.728 4.814 ( 0.164 -3.663 6.210) 7.212 5.269 ( -0.033 11.780 6.502) 13.456 6.628 ( 24.874 12.943 -2.482) 28.149 7.230 ( 6.452 -5.560 -4.139) 9.469 9.089 ( 7.365 6.726 0.818) 10.008 9.914 ( 7.762 8.392 -0.633) 11.449 10.411 ( -7.892 2.641 -0.453) 8.334 11.347 ( 17.672 -4.578 -0.598) 18.265 12.330 ( -12.743 7.356 -0.096) 14.714 12.848 ( -2.495 -4.918 2.393) 6.011 15.879 ( -11.738 -7.684 -3.676) 14.502======================= Grid point 1541 (493/580) =======================q-point: (-0.33 -0.33 -0.78)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.833 ( 0.000 2.382 0.912) 2.551 4.813 ( 0.000 -4.077 7.420) 8.466 5.263 ( 0.000 12.580 7.010) 14.401 6.040 ( -0.000 8.145 -0.606) 8.167 7.211 ( -0.000 -1.272 -6.517) 6.640 8.960 ( 0.000 8.181 0.766) 8.217 9.738 ( 0.000 10.874 0.302) 10.878 10.585 ( -0.000 -3.075 -0.375) 3.098 11.012 ( -0.000 -4.089 -0.479) 4.117 12.533 ( -0.000 2.592 -1.498) 2.993 12.912 ( 0.000 1.254 2.846) 3.110 16.095 ( -0.000 -8.059 -4.609) 9.284======================= Grid point 1542 (494/580) =======================q-point: (-0.28 -0.33 -0.78)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.929 ( 8.347 1.398 0.991) 8.521 4.792 ( -0.021 -4.887 7.820) 9.221 5.418 ( -0.152 12.941 9.948) 16.323 6.282 ( 20.373 5.312 -0.707) 21.066 7.149 ( -1.627 -4.103 -8.424) 9.510 9.069 ( 3.353 6.299 2.203) 7.468 9.874 ( 4.837 6.044 0.249) 7.745 10.517 ( -3.780 -1.047 -0.863) 4.016 11.041 ( 9.809 -6.410 -2.048) 11.895 12.502 ( -3.540 0.631 -0.788) 3.682 12.921 ( -4.484 3.388 2.249) 6.054 15.969 ( -6.210 -3.228 -3.782) 7.956======================= Grid point 1561 (495/580) =======================q-point: (-0.28 -0.28 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.869 ( 0.000 0.462 1.358) 1.434 4.761 ( 0.000 -6.232 8.204) 10.303 5.591 ( 0.000 13.877 13.268) 19.200 6.121 ( -0.000 0.428 -0.593) 0.732 7.097 ( -0.000 -4.430 -10.879) 11.747 9.099 ( 0.000 3.131 3.013) 4.346 9.872 ( 0.000 1.175 1.003) 1.545 10.528 ( -0.000 -1.375 -1.173) 1.808 10.892 ( -0.000 -4.347 -3.371) 5.501 12.535 ( -0.000 2.548 -0.697) 2.642 12.992 ( 0.000 -1.101 1.954) 2.242 16.009 ( -0.000 2.860 -3.728) 4.699======================= Grid point 1734 (496/580) =======================q-point: ( 0.28 0.28 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 570Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.619 ( 0.000 -0.000 31.638) 31.638 1.619 ( 0.000 -0.000 31.638) 31.638 3.397 ( 0.000 -0.000 69.873) 69.873 3.552 ( -0.000 0.000 -12.150) 12.150 3.552 ( -0.000 0.000 -12.150) 12.150 7.992 ( 0.000 -0.000 0.538) 0.538 7.992 ( 0.000 -0.000 0.538) 0.538 8.037 ( -0.000 0.000 -38.011) 38.011 11.054 ( -0.000 0.000 -0.558) 0.558 11.054 ( -0.000 0.000 -0.558) 0.558 15.780 ( 0.000 -0.000 5.541) 5.541 17.780 ( -0.000 0.000 -1.141) 1.141======================= Grid point 1735 (497/580) =======================q-point: ( 0.33 0.28 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.826 ( 12.848 7.418 28.777) 32.376 2.226 ( 31.343 18.096 28.440) 46.029 3.568 ( 4.216 2.434 -12.317) 13.244 3.685 ( 14.639 8.452 25.648) 30.717 3.733 ( 13.871 8.008 21.826) 27.072 7.008 ( -21.557 -12.446 -14.323) 28.718 8.038 ( 3.087 1.782 0.340) 3.581 9.882 ( 88.369 51.020 -45.114) 111.568 11.026 ( -2.053 -1.185 -0.520) 2.427 11.029 ( -1.906 -1.101 -1.849) 2.875 15.824 ( 1.962 1.133 5.850) 6.274 17.565 ( -16.810 -9.705 -2.453) 19.565======================= Grid point 1736 (498/580) =======================q-point: ( 0.39 0.28 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.311 ( 20.668 11.933 23.375) 33.406 2.875 ( 14.919 8.614 32.669) 36.933 3.679 ( 8.975 5.182 -12.312) 16.093 4.209 ( 21.754 12.560 13.949) 28.732 4.411 ( 42.471 24.520 12.056) 50.501 6.668 ( -5.898 -3.405 -18.339) 19.563 8.137 ( 5.488 3.169 0.092) 6.338 10.888 ( -4.745 -2.739 -2.419) 5.989 10.961 ( -3.345 -1.931 -0.472) 3.891 11.475 ( 53.890 31.114 -41.352) 74.714 15.874 ( -1.129 -0.652 11.783) 11.855 17.084 ( -20.823 -12.022 -10.773) 26.347======================= Grid point 1737 (499/580) =======================q-point: ( 0.44 0.28 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.845 ( 18.879 10.900 17.456) 27.928 3.223 ( 9.874 5.701 28.926) 31.092 3.928 ( 16.184 9.344 -10.634) 21.502 4.754 ( 20.618 11.904 11.678) 26.517 5.504 ( 45.069 26.021 -3.049) 52.130 6.635 ( 10.085 5.823 -13.435) 17.779 8.295 ( 8.227 4.750 -0.058) 9.500 10.697 ( -9.765 -5.638 -2.945) 11.654 10.877 ( -3.703 -2.138 -0.432) 4.298 12.255 ( 23.820 13.753 -26.763) 38.377 15.734 ( -18.362 -10.601 23.091) 31.348 16.673 ( -7.765 -4.483 -22.336) 24.068======================= Grid point 1738 (500/580) =======================q-point: ( 0.50 0.28 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.245 ( 12.215 7.053 9.818) 17.186 3.568 ( 13.760 7.944 22.090) 27.210 4.365 ( 23.195 13.391 -5.927) 27.431 5.155 ( 11.186 6.458 2.659) 13.187 6.219 ( 21.203 12.242 -13.048) 27.743 7.223 ( 39.040 22.540 1.086) 45.093 8.517 ( 11.118 6.419 -0.044) 12.839 10.464 ( -8.395 -4.847 -2.662) 10.053 10.795 ( -3.185 -1.839 -0.391) 3.698 12.499 ( 5.160 2.979 -18.203) 19.153 15.187 ( -31.651 -18.273 16.299) 40.017 16.565 ( 0.302 0.174 -13.220) 13.224======================= Grid point 1739 (501/580) =======================q-point: ( 0.56 0.28 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.492 ( 8.012 4.626 4.126) 10.130 3.984 ( 16.815 9.708 16.164) 25.264 4.907 ( 23.824 13.755 -2.228) 27.599 5.293 ( 2.734 1.578 -8.566) 9.129 6.624 ( 17.372 10.029 -5.198) 20.721 8.087 ( 30.541 17.633 2.548) 35.358 8.803 ( 13.575 7.837 0.049) 15.675 10.378 ( 3.507 2.025 -1.210) 4.226 10.730 ( -2.292 -1.323 -0.306) 2.664 12.460 ( -2.741 -1.582 -14.327) 14.672 14.462 ( -33.289 -19.219 8.029) 39.268 16.523 ( -2.704 -1.561 -2.832) 4.215======================= Grid point 1740 (502/580) =======================q-point: ( 0.61 0.28 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.657 ( 5.800 3.348 1.171) 6.798 4.414 ( 16.308 9.415 11.176) 21.897 5.282 ( 0.281 0.162 -15.377) 15.380 5.410 ( 19.685 11.365 -0.566) 22.737 6.957 ( 11.092 6.404 1.231) 12.867 8.565 ( 11.904 6.873 1.973) 13.887 9.133 ( 14.737 8.509 0.060) 17.017 10.646 ( 17.477 10.090 0.276) 20.183 10.684 ( -1.800 -1.039 -0.123) 2.082 12.352 ( -1.783 -1.029 -11.013) 11.204 13.744 ( -29.604 -17.092 3.268) 34.340 16.411 ( -6.910 -3.990 2.563) 8.381======================= Grid point 1741 (503/580) =======================q-point: ( 0.67 0.28 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.771 ( 4.048 2.337 -0.345) 4.687 4.765 ( 10.699 6.177 5.492) 13.520 5.248 ( 2.416 1.395 -18.046) 18.260 5.795 ( 13.604 7.854 0.184) 15.709 7.123 ( 2.601 1.501 5.826) 6.554 8.777 ( 8.228 4.750 0.591) 9.519 9.466 ( 13.726 7.925 -0.131) 15.850 10.639 ( -2.231 -1.288 0.201) 2.584 10.985 ( 8.156 4.709 0.379) 9.425 12.382 ( 7.087 4.092 -5.245) 9.720 13.167 ( -19.518 -11.269 0.125) 22.537 16.232 ( -9.067 -5.235 4.411) 11.361======================= Grid point 1742 (504/580) =======================q-point: ( 0.72 0.28 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.842 ( 2.282 1.317 -1.104) 2.856 4.872 ( -1.153 -0.666 -5.402) 5.564 5.355 ( 10.718 6.188 -12.863) 17.850 6.034 ( 7.015 4.050 0.530) 8.118 7.141 ( -2.269 -1.310 8.930) 9.306 8.971 ( 8.136 4.697 -1.604) 9.530 9.741 ( 9.654 5.574 -0.553) 11.161 10.580 ( -2.935 -1.694 0.691) 3.459 11.003 ( -4.686 -2.705 1.552) 5.629 12.523 ( 1.603 0.925 0.758) 2.000 12.938 ( 1.140 0.658 -2.818) 3.110 16.054 ( -6.537 -3.774 4.345) 8.710======================= Grid point 1753 (505/580) =======================q-point: ( 0.33 0.33 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.060 ( 0.000 20.148 26.273) 33.109 2.202 ( 0.000 35.913 27.631) 45.313 3.504 ( -0.000 3.545 -13.917) 14.361 3.691 ( -0.000 20.819 -13.131) 24.614 3.881 ( 0.000 8.735 60.964) 61.587 6.969 ( -0.000 -25.181 -16.492) 30.101 8.006 ( 0.000 2.057 0.783) 2.201 9.762 ( -0.000 99.147 -40.659) 107.160 11.015 ( -0.000 -3.489 -1.205) 3.692 11.031 ( -0.000 -2.108 -0.573) 2.184 15.839 ( 0.000 2.175 5.589) 5.997 17.569 ( -0.000 -18.193 -2.687) 18.391======================= Grid point 1754 (506/580) =======================q-point: ( 0.39 0.33 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.365 ( 4.474 25.748 23.717) 35.292 2.843 ( 15.716 22.889 28.481) 39.775 3.567 ( 6.418 6.477 -13.904) 16.627 4.033 ( 15.509 25.961 -8.584) 31.435 4.291 ( 14.175 23.191 41.217) 49.372 6.661 ( -5.628 -8.998 -19.404) 22.117 8.082 ( 4.427 3.460 0.535) 5.644 10.874 ( 16.362 32.525 -18.647) 40.906 10.966 ( 3.959 4.255 -6.879) 9.005 11.017 ( 13.342 19.096 -15.933) 28.222 15.890 ( 1.235 0.248 8.507) 8.600 17.226 ( -14.130 -19.142 -7.565) 24.966======================= Grid point 1755 (507/580) =======================q-point: ( 0.44 0.33 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.822 ( 10.194 23.102 19.824) 32.104 3.255 ( 6.153 10.489 27.365) 29.945 3.779 ( 11.574 13.562 -12.402) 21.718 4.568 ( 19.315 16.505 8.529) 26.800 5.128 ( 33.682 37.709 6.996) 51.043 6.533 ( 2.769 3.363 -17.501) 18.035 8.223 ( 6.391 5.945 0.199) 8.731 10.758 ( -6.980 -8.762 -2.587) 11.497 10.918 ( -2.860 -1.924 -0.399) 3.470 11.902 ( 28.286 28.116 -27.229) 48.290 15.877 ( -4.991 -11.067 19.347) 22.841 16.760 ( -14.798 -8.444 -19.459) 25.864======================= Grid point 1756 (508/580) =======================q-point: ( 0.50 0.33 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.227 ( 7.398 16.107 12.691) 21.800 3.543 ( 8.001 10.448 22.462) 26.033 4.178 ( 17.411 21.966 -7.602) 29.042 5.018 ( 13.913 8.383 5.321) 17.093 5.954 ( 23.059 20.660 -10.834) 32.801 6.886 ( 27.929 26.786 -2.821) 38.800 8.426 ( 8.542 8.763 0.094) 12.238 10.515 ( -7.984 -10.677 -2.646) 13.592 10.851 ( -3.389 0.073 -0.436) 3.418 12.338 ( 11.636 7.038 -17.853) 22.442 15.501 ( -22.785 -25.137 18.507) 38.646 16.545 ( -2.200 3.196 -17.005) 17.442======================= Grid point 1757 (509/580) =======================q-point: ( 0.56 0.33 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.488 ( 4.172 11.957 5.887) 13.965 3.892 ( 12.187 11.908 17.927) 24.733 4.730 ( 19.215 25.419 -2.782) 31.986 5.218 ( 4.847 1.036 -5.980) 7.767 6.416 ( 18.006 14.240 -7.271) 24.080 7.777 ( 33.124 30.417 2.258) 45.028 8.693 ( 10.622 11.369 0.196) 15.560 10.305 ( -1.652 -9.560 -1.688) 9.847 10.808 ( -3.343 3.713 -0.451) 5.017 12.407 ( 1.255 -2.473 -13.657) 13.935 14.818 ( -29.667 -25.031 8.742) 39.789 16.521 ( -0.528 -0.613 -4.831) 4.898======================= Grid point 1758 (510/580) =======================q-point: ( 0.61 0.33 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.666 ( 2.210 10.602 2.200) 11.051 4.291 ( 14.113 11.427 14.060) 22.966 5.212 ( 3.042 0.415 -11.011) 11.431 5.301 ( 13.839 23.243 -3.216) 27.242 6.823 ( 14.368 11.510 -0.944) 18.434 8.463 ( 15.170 18.051 2.392) 23.700 9.015 ( 11.949 13.281 0.380) 17.869 10.329 ( 13.791 -6.129 -0.516) 15.101 10.826 ( -1.735 10.781 -0.232) 10.923 12.315 ( -1.468 -4.947 -11.269) 12.394 14.081 ( -29.768 -21.590 3.353) 36.926 16.451 ( -3.345 -6.216 1.938) 7.320======================= Grid point 1759 (511/580) =======================q-point: ( 0.67 0.33 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.795 ( 0.538 9.834 0.344) 9.855 4.662 ( 11.918 8.532 9.992) 17.739 5.170 ( 1.066 -0.809 -17.322) 17.374 5.760 ( 9.865 23.437 0.109) 25.429 7.098 ( 6.079 6.262 3.120) 9.268 8.739 ( 4.482 9.359 1.751) 10.524 9.358 ( 11.536 13.778 0.405) 17.975 10.506 ( 10.797 -8.442 -0.266) 13.708 11.002 ( 4.101 16.961 0.259) 17.451 12.259 ( 4.916 -2.543 -7.635) 9.431 13.419 ( -24.484 -16.155 0.669) 29.341 16.298 ( -5.855 -9.894 4.522) 12.354======================= Grid point 1760 (512/580) =======================q-point: ( 0.72 0.33 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.883 ( -1.174 8.996 -0.598) 9.092 4.858 ( 1.543 0.846 -0.721) 1.901 5.206 ( 8.320 4.840 -12.855) 16.059 6.096 ( 2.556 21.736 0.687) 21.896 7.182 ( -0.980 0.535 6.207) 6.307 8.910 ( 5.568 8.130 -0.068) 9.854 9.670 ( 8.776 12.073 0.165) 14.926 10.538 ( 3.270 -6.869 0.133) 7.608 11.134 ( -5.842 8.862 0.174) 10.616 12.408 ( 12.046 -0.304 -1.501) 12.143 12.975 ( -10.783 -7.334 -1.679) 13.148 16.102 ( -5.592 -10.490 4.672) 12.773======================= Grid point 1772 (513/580) =======================q-point: ( 0.39 0.39 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.674 ( 0.000 25.302 21.247) 33.040 3.054 ( 0.000 28.527 25.705) 38.400 3.531 ( -0.000 8.747 -15.959) 18.199 4.170 ( 0.000 28.458 -0.880) 28.472 4.557 ( 0.000 33.436 30.478) 45.243 6.559 ( -0.000 -6.652 -20.125) 21.196 8.088 ( 0.000 5.681 1.167) 5.800 10.890 ( -0.000 -7.763 -2.015) 8.021 10.967 ( -0.000 -3.816 -0.583) 3.860 11.179 ( -0.000 62.882 -31.982) 70.548 15.898 ( 0.000 -2.995 10.689) 11.100 17.118 ( -0.000 -19.722 -11.519) 22.840======================= Grid point 1773 (514/580) =======================q-point: ( 0.44 0.39 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.014 ( 3.859 23.644 18.911) 30.522 3.388 ( 1.767 16.365 20.789) 26.517 3.695 ( 10.468 16.477 -13.326) 23.636 4.532 ( 9.374 22.128 8.297) 25.424 5.146 ( 14.852 43.341 9.365) 46.762 6.484 ( 1.580 5.490 -17.378) 18.293 8.198 ( 4.275 7.704 1.023) 8.870 10.754 ( -4.430 -10.319 -2.534) 11.512 10.920 ( -0.593 -3.388 -0.472) 3.471 11.767 ( 14.946 35.938 -22.000) 44.709 15.855 ( -1.591 -15.102 18.107) 23.632 16.827 ( -8.952 -8.719 -20.064) 23.637======================= Grid point 1774 (515/580) =======================q-point: ( 0.50 0.39 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.342 ( 4.615 16.215 12.324) 20.883 3.627 ( 3.320 14.487 16.622) 22.298 4.114 ( 16.102 26.328 -7.522) 31.765 4.914 ( 10.623 11.431 7.097) 17.143 5.816 ( 16.449 27.346 -8.044) 32.910 6.771 ( 17.904 31.651 -4.649) 36.660 8.389 ( 7.023 10.513 0.738) 12.664 10.524 ( -7.548 -12.494 -2.599) 14.827 10.884 ( -0.725 -1.095 -0.465) 1.393 12.180 ( 10.802 11.856 -14.000) 21.289 15.576 ( -11.741 -30.296 19.228) 37.754 16.606 ( -6.234 4.360 -20.091) 21.483======================= Grid point 1775 (516/580) =======================q-point: ( 0.56 0.39 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.583 ( 3.486 13.481 6.241) 15.259 3.907 ( 6.962 14.602 14.357) 21.629 4.694 ( 17.975 31.391 -2.874) 36.287 5.122 ( 5.499 1.341 -2.767) 6.300 6.265 ( 15.366 18.858 -7.419) 25.432 7.592 ( 29.086 40.549 1.400) 49.922 8.652 ( 9.061 13.615 0.639) 16.367 10.256 ( -6.605 -13.375 -1.943) 15.043 10.879 ( -0.531 3.156 -0.564) 3.250 12.306 ( 3.226 -1.451 -10.276) 10.868 15.012 ( -21.218 -31.249 10.456) 39.192 16.528 ( -2.882 1.336 -8.977) 9.523======================= Grid point 1776 (517/580) =======================q-point: ( 0.61 0.39 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.776 ( 1.443 13.966 2.648) 14.288 4.243 ( 10.519 13.383 12.999) 21.418 5.131 ( 2.237 -1.382 -8.425) 8.825 5.321 ( 15.258 30.951 -2.644) 34.609 6.702 ( 15.091 16.950 -1.864) 22.771 8.413 ( 19.756 31.037 1.880) 36.839 8.973 ( 10.497 16.088 0.771) 19.225 10.080 ( 3.620 -11.736 -1.025) 12.324 10.938 ( 0.717 9.519 -0.508) 9.560 12.246 ( -0.974 -6.450 -8.856) 11.000 14.334 ( -25.225 -26.699 4.059) 36.954 16.439 ( -3.220 -6.544 -0.729) 7.330======================= Grid point 1777 (518/580) =======================q-point: ( 0.67 0.39 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.929 ( -0.781 14.469 0.752) 14.510 4.593 ( 10.929 10.560 11.784) 19.231 5.088 ( 0.771 -2.452 -14.568) 14.793 5.864 ( 11.088 30.663 0.016) 32.606 7.070 ( 8.917 13.330 1.139) 16.078 8.824 ( 1.478 16.826 1.866) 16.994 9.329 ( 10.567 17.314 1.009) 20.308 10.172 ( 16.258 -8.469 -0.544) 18.340 11.110 ( 4.098 16.876 0.040) 17.366 12.138 ( 0.629 -6.775 -7.476) 10.109 13.667 ( -24.398 -20.711 0.792) 32.013 16.279 ( -4.379 -12.706 3.263) 13.829======================= Grid point 1778 (519/580) =======================q-point: ( 0.72 0.39 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.041 ( -2.987 14.433 -0.088) 14.739 4.840 ( 3.334 2.801 5.607) 7.100 5.081 ( 6.314 3.147 -13.817) 15.514 6.304 ( 5.305 28.670 1.374) 29.189 7.253 ( -1.201 8.323 2.963) 8.916 8.956 ( 0.061 11.497 0.990) 11.540 9.668 ( 8.371 15.995 0.894) 18.075 10.338 ( 11.055 -8.012 -0.266) 13.656 11.338 ( -1.429 16.850 0.201) 16.912 12.152 ( 11.214 -5.154 -3.908) 12.945 13.124 ( -17.486 -13.029 -0.989) 21.829 16.069 ( -4.331 -15.467 4.298) 16.627======================= Grid point 1791 (520/580) =======================q-point: ( 0.44 0.44 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.228 ( 0.000 15.522 14.328) 21.124 3.633 ( 0.000 18.246 17.392) 25.207 3.726 ( -0.000 23.040 -13.669) 26.790 4.705 ( 0.000 20.218 9.688) 22.419 5.478 ( 0.000 41.234 1.352) 41.256 6.526 ( -0.000 18.870 -12.198) 22.470 8.249 ( 0.000 9.732 1.386) 9.831 10.681 ( -0.000 -11.036 -2.541) 11.324 10.879 ( -0.000 -4.453 -0.495) 4.481 11.921 ( -0.000 27.181 -14.216) 30.674 15.730 ( 0.000 -25.477 19.474) 32.068 16.781 ( -0.000 -1.279 -22.877) 22.913======================= Grid point 1792 (521/580) =======================q-point: ( 0.50 0.44 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.417 ( 4.368 9.298 6.692) 12.261 3.821 ( -1.254 18.445 10.501) 21.262 4.107 ( 13.382 29.158 -5.236) 32.506 4.930 ( 3.646 10.929 6.585) 13.270 5.876 ( 6.281 27.248 -7.306) 28.902 6.883 ( 9.752 41.830 -2.611) 43.031 8.402 ( 4.568 11.986 1.198) 12.883 10.510 ( -5.575 -11.752 -2.432) 13.233 10.851 ( 1.604 -3.047 -0.419) 3.469 12.134 ( 4.447 11.489 -7.888) 14.629 15.445 ( -4.828 -34.742 17.390) 39.150 16.692 ( -4.582 5.027 -20.509) 21.607======================= Grid point 1793 (522/580) =======================q-point: ( 0.56 0.44 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.622 ( 7.026 9.053 3.753) 12.058 4.032 ( 1.657 17.517 7.714) 19.212 4.689 ( 18.574 32.405 -2.679) 37.446 5.056 ( 2.848 1.027 -0.139) 3.031 6.235 ( 9.783 22.941 -5.168) 25.469 7.605 ( 19.939 46.475 0.501) 50.575 8.648 ( 7.971 14.732 0.880) 16.773 10.255 ( -8.750 -12.126 -1.906) 15.074 10.878 ( 2.945 1.073 -0.478) 3.170 12.226 ( 1.971 -0.456 -4.793) 5.203 14.988 ( -11.503 -36.102 11.280) 39.534 16.593 ( -5.732 2.403 -12.708) 14.147======================= Grid point 1794 (523/580) =======================q-point: ( 0.61 0.44 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.853 ( 6.439 11.305 2.332) 13.217 4.280 ( 5.351 15.845 6.989) 18.126 5.061 ( 0.967 -2.852 -4.759) 5.632 5.342 ( 18.670 32.535 -1.809) 37.555 6.645 ( 12.665 21.348 -1.305) 24.856 8.408 ( 21.354 38.240 0.664) 43.803 8.966 ( 9.819 17.102 0.674) 19.732 9.985 ( -6.943 -11.863 -1.099) 13.789 10.979 ( 4.276 7.448 -0.554) 8.606 12.179 ( -1.264 -6.180 -4.016) 7.478 14.421 ( -16.866 -32.048 5.350) 36.609 16.451 ( -6.244 -5.248 -4.911) 9.521======================= Grid point 1795 (524/580) =======================q-point: ( 0.67 0.44 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.068 ( 2.998 14.130 0.733) 14.463 4.568 ( 8.446 12.417 8.344) 17.180 5.014 ( 0.080 -3.476 -8.885) 9.541 5.948 ( 14.786 30.285 -0.419) 33.705 7.063 ( 11.330 19.585 0.468) 22.631 9.003 ( 5.982 26.493 0.962) 27.177 9.324 ( 11.078 17.838 0.819) 21.014 9.846 ( 6.983 -10.533 -0.657) 12.655 11.178 ( 6.341 14.615 -0.285) 15.934 12.063 ( -2.106 -7.341 -4.054) 8.647 13.824 ( -19.391 -25.654 1.421) 32.189 16.243 ( -6.345 -12.761 0.291) 14.254======================= Grid point 1796 (525/580) =======================q-point: ( 0.72 0.44 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.239 ( -0.941 16.073 -0.029) 16.100 4.833 ( 5.227 5.508 10.673) 13.099 4.969 ( 3.474 0.469 -14.157) 14.585 6.438 ( 10.120 23.870 1.310) 25.960 7.397 ( 3.234 20.071 0.809) 20.346 9.158 ( -7.295 15.818 0.950) 17.445 9.687 ( 9.440 17.025 0.867) 19.486 10.004 ( 17.473 -7.667 -0.240) 19.083 11.473 ( 7.167 18.381 0.736) 19.742 11.964 ( 1.051 -6.929 -3.791) 7.968 13.278 ( -17.656 -17.948 -0.777) 25.188 15.991 ( -5.348 -17.526 2.746) 18.528======================= Grid point 1811 (526/580) =======================q-point: ( 0.50 0.50 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.460 ( 0.000 6.499 1.384) 6.645 4.048 ( 0.000 16.941 5.632) 17.853 4.268 ( -0.000 32.198 -2.970) 32.334 5.001 ( 0.000 4.821 3.381) 5.888 6.070 ( -0.000 25.539 -5.044) 26.032 7.254 ( 0.000 49.166 -0.570) 49.169 8.491 ( 0.000 13.534 1.177) 13.585 10.454 ( -0.000 -9.012 -2.165) 9.268 10.791 ( -0.000 -3.935 -0.234) 3.942 12.175 ( -0.000 5.528 -2.413) 6.032 15.168 ( 0.000 -38.096 14.080) 40.615 16.724 ( -0.000 4.727 -18.242) 18.845======================= Grid point 1812 (527/580) =======================q-point: ( 0.56 0.50 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.578 ( 6.187 6.384 0.070) 8.891 4.216 ( -0.506 17.526 0.999) 17.562 4.709 ( 13.700 31.331 -1.616) 34.233 5.032 ( 0.576 -1.064 1.132) 1.657 6.348 ( 4.019 24.876 -1.776) 25.261 7.818 ( 9.392 45.612 -0.573) 46.573 8.684 ( 5.242 15.446 0.820) 16.332 10.304 ( -7.792 -5.992 -1.559) 9.952 10.804 ( 4.859 -1.167 -0.189) 5.001 12.199 ( -0.054 -1.134 0.640) 1.303 14.780 ( -4.542 -38.529 9.858) 40.028 16.668 ( -4.517 1.409 -13.640) 14.437======================= Grid point 1813 (528/580) =======================q-point: ( 0.61 0.50 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.795 ( 10.374 7.459 0.553) 12.789 4.400 ( 1.812 17.102 -0.728) 17.213 5.014 ( 0.027 -3.661 0.404) 3.683 5.315 ( 19.904 30.540 -1.256) 36.476 6.686 ( 7.830 22.497 -0.009) 23.821 8.441 ( 16.175 33.606 -1.095) 37.312 8.977 ( 9.033 17.564 0.314) 19.753 10.077 ( -12.249 -2.921 -0.705) 12.612 10.935 ( 7.885 5.442 -0.275) 9.585 12.149 ( -2.254 -5.112 1.444) 5.771 14.316 ( -8.657 -35.651 5.621) 37.115 16.511 ( -7.975 -4.508 -8.175) 12.278======================= Grid point 1814 (529/580) =======================q-point: ( 0.67 0.50 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.069 ( 10.730 9.504 0.586) 14.346 4.612 ( 4.100 14.993 -0.035) 15.544 4.968 ( -0.788 -3.918 -0.140) 3.999 5.951 ( 18.577 28.294 -0.860) 33.858 7.064 ( 11.463 19.799 0.373) 22.881 9.012 ( 19.283 18.811 -0.945) 26.955 9.328 ( 9.772 18.750 -0.098) 21.143 9.842 ( -12.588 0.619 0.037) 12.603 11.179 ( 9.430 12.968 -0.365) 16.038 12.040 ( -3.710 -6.198 0.986) 7.290 13.820 ( -11.717 -30.009 2.247) 32.293 16.260 ( -9.764 -11.018 -3.355) 15.099======================= Grid point 1815 (530/580) =======================q-point: ( 0.72 0.50 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.340 ( 7.257 12.570 -0.000) 14.515 4.830 ( 6.109 10.581 -0.000) 12.218 4.912 ( -1.617 -2.800 0.000) 3.233 6.465 ( 11.854 20.532 -0.000) 23.708 7.481 ( 12.521 21.687 -0.000) 25.041 9.441 ( 7.825 13.553 -0.000) 15.649 9.615 ( 4.152 7.192 -0.000) 8.305 9.751 ( 4.847 8.396 -0.000) 9.694 11.490 ( 8.820 15.277 -0.000) 17.640 11.928 ( -2.357 -4.083 -0.000) 4.715 13.344 ( -12.888 -22.323 -0.000) 25.776 15.950 ( -9.340 -16.177 -0.000) 18.679======================= Grid point 1831 (531/580) =======================q-point: ( 0.56 0.56 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.576 ( -0.000 5.673 -1.350) 5.831 4.387 ( -0.000 17.024 -5.377) 17.853 4.881 ( 0.000 29.390 -0.637) 29.397 5.013 ( 0.000 -3.261 3.849) 5.045 6.560 ( 0.000 23.943 0.335) 23.945 8.153 ( 0.000 36.764 -1.936) 36.815 8.796 ( 0.000 16.236 0.578) 16.247 10.374 ( -0.000 4.346 -0.944) 4.448 10.724 ( -0.000 -2.767 0.134) 2.771 12.192 ( 0.000 -2.585 4.135) 4.877 14.456 ( 0.000 -38.650 7.153) 39.307 16.672 ( -0.000 -1.449 -12.083) 12.170======================= Grid point 1832 (532/580) =======================q-point: ( 0.61 0.56 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.695 ( 7.512 5.745 -0.906) 9.500 4.535 ( 0.621 16.737 -8.534) 18.798 4.990 ( -0.378 -4.075 7.513) 8.555 5.291 ( 14.258 27.054 -0.745) 30.590 6.812 ( 3.050 20.418 0.628) 20.654 8.512 ( 7.523 22.751 -2.834) 24.129 9.017 ( 6.045 17.340 0.107) 18.364 10.325 ( -12.445 8.734 -0.099) 15.204 10.823 ( 10.280 4.019 0.115) 11.038 12.160 ( -2.279 -3.075 5.311) 6.547 14.068 ( -3.188 -36.389 4.317) 36.782 16.558 ( -5.486 -5.570 -9.127) 12.018======================= Grid point 1833 (533/580) =======================q-point: ( 0.67 0.56 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.933 ( 12.717 6.238 -0.153) 14.165 4.696 ( 2.471 15.153 -9.529) 18.070 4.966 ( -1.271 -3.293 10.924) 11.480 5.869 ( 21.040 25.323 -0.974) 32.938 7.075 ( 7.143 15.228 -0.104) 16.821 8.844 ( 13.315 9.615 -2.442) 16.604 9.336 ( 9.924 17.912 -0.501) 20.483 10.168 ( -15.530 9.858 0.305) 18.397 11.111 ( 12.676 12.168 -0.108) 17.571 12.082 ( -5.274 -2.467 4.863) 7.586 13.661 ( -5.394 -31.586 2.102) 32.112 16.321 ( -10.091 -9.927 -5.777) 15.289======================= Grid point 1851 (534/580) =======================q-point: ( 0.61 0.61 0.28)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.677 ( -0.000 5.153 -0.929) 5.236 4.657 ( -0.000 15.478 -13.484) 20.527 4.990 ( 0.000 -3.393 14.320) 14.717 5.408 ( 0.000 23.317 -0.350) 23.320 6.972 ( 0.000 16.061 -0.103) 16.061 8.617 ( -0.000 13.246 -3.549) 13.713 9.134 ( 0.000 17.145 0.013) 17.145 10.646 ( 0.000 20.186 0.351) 20.189 10.680 ( 0.000 -1.964 0.337) 1.993 12.188 ( 0.000 0.549 6.577) 6.600 13.748 ( 0.000 -34.356 2.496) 34.446 16.515 ( -0.000 -7.854 -8.258) 11.397======================= Grid point 1853 (535/580) =======================q-point: (-0.33 -0.39 -0.72)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.798 ( 8.208 4.870 -0.289) 9.549 4.766 ( 1.138 12.026 -12.711) 17.535 5.011 ( -0.784 -0.171 17.466) 17.484 5.764 ( 15.516 20.487 -0.626) 25.707 7.120 ( 2.278 9.932 -1.711) 10.332 8.759 ( 5.615 7.902 -2.734) 10.072 9.362 ( 6.460 16.874 -0.332) 18.072 10.503 ( -12.784 5.174 0.386) 13.796 11.002 ( 12.787 11.907 0.366) 17.476 12.199 ( -4.458 4.922 5.671) 8.732 13.416 ( -1.708 -29.497 1.245) 29.573 16.348 ( -6.185 -10.204 -6.432) 13.555======================= Grid point 1872 (536/580) =======================q-point: (-0.33 -0.33 -0.72)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.769 ( 0.000 4.184 0.201) 4.189 4.822 ( -0.000 7.011 -6.750) 9.733 5.091 ( 0.000 4.701 16.133) 16.804 5.798 ( 0.000 15.866 -0.423) 15.871 7.169 ( -0.000 4.806 -4.091) 6.312 8.787 ( -0.000 8.423 -1.674) 8.588 9.466 ( 0.000 15.720 -0.024) 15.720 10.640 ( -0.000 -2.376 0.063) 2.377 10.984 ( 0.000 9.424 0.681) 9.448 12.341 ( 0.000 11.110 3.889) 11.771 13.164 ( -0.000 -23.446 0.934) 23.465 16.279 ( -0.000 -10.740 -5.864) 12.237======================= Grid point 2084 (537/580) =======================q-point: ( 0.33 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 580Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.893 ( 0.000 -0.000 28.541) 28.541 1.893 ( 0.000 -0.000 28.541) 28.541 3.434 ( -0.000 0.000 -13.670) 13.670 3.434 ( -0.000 0.000 -13.670) 13.670 4.013 ( 0.000 -0.000 65.464) 65.464 7.672 ( -0.000 0.000 -41.874) 41.874 7.996 ( 0.000 -0.000 0.476) 0.476 7.996 ( 0.000 -0.000 0.476) 0.476 11.049 ( -0.000 0.000 -0.492) 0.492 11.049 ( -0.000 0.000 -0.492) 0.492 15.827 ( 0.000 -0.000 4.808) 4.808 17.770 ( -0.000 0.000 -1.037) 1.037======================= Grid point 2085 (538/580) =======================q-point: ( 0.39 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.080 ( 11.510 6.646 26.965) 30.063 2.474 ( 32.214 18.599 26.084) 45.432 3.449 ( 4.323 2.496 -13.739) 14.618 3.572 ( 16.793 9.695 -15.942) 25.103 4.253 ( 5.483 3.165 57.774) 58.120 6.844 ( -21.796 -12.584 -21.585) 33.156 8.040 ( 2.987 1.725 0.035) 3.450 9.535 ( 82.623 47.703 -31.429) 100.449 11.015 ( -2.949 -1.702 -1.311) 3.649 11.022 ( -2.040 -1.178 -0.387) 2.388 15.872 ( 2.605 1.504 4.762) 5.632 17.545 ( -18.069 -10.432 -1.841) 20.946======================= Grid point 2086 (539/580) =======================q-point: ( 0.44 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.525 ( 18.817 10.864 23.616) 32.091 3.153 ( 15.537 8.971 28.271) 33.483 3.559 ( 9.319 5.380 -14.026) 17.678 4.156 ( 35.406 20.442 -13.806) 43.152 4.692 ( 22.289 12.869 37.431) 45.425 6.484 ( -5.251 -3.032 -21.898) 22.722 8.136 ( 5.442 3.142 -0.367) 6.294 10.867 ( -2.533 -1.463 -2.324) 3.736 10.957 ( -3.344 -1.931 -0.294) 3.873 11.151 ( 54.506 31.469 -29.567) 69.537 15.969 ( 3.436 1.984 8.954) 9.793 17.000 ( -26.059 -15.045 -7.626) 31.041======================= Grid point 2087 (540/580) =======================q-point: ( 0.50 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.008 ( 15.828 9.138 18.068) 25.700 3.470 ( 8.337 4.814 24.914) 26.709 3.826 ( 18.039 10.415 -11.720) 23.900 4.824 ( 21.536 12.434 3.548) 25.120 5.500 ( 35.704 20.614 2.117) 41.282 6.514 ( 16.268 9.392 -12.668) 22.657 8.292 ( 8.271 4.775 -0.548) 9.566 10.673 ( -9.962 -5.752 -2.149) 11.702 10.873 ( -3.717 -2.146 -0.250) 4.299 12.041 ( 27.062 15.624 -20.146) 37.180 15.941 ( -18.026 -10.407 22.408) 30.584 16.476 ( -7.629 -4.405 -20.982) 22.756======================= Grid point 2088 (541/580) =======================q-point: ( 0.56 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.332 ( 9.321 5.382 9.112) 14.102 3.766 ( 11.836 6.834 20.973) 25.033 4.313 ( 25.196 14.547 -5.188) 29.552 5.155 ( 7.204 4.159 -2.780) 8.771 6.118 ( 22.308 12.879 -8.919) 27.259 7.232 ( 41.126 23.744 0.880) 47.497 8.515 ( 11.229 6.483 -0.450) 12.974 10.445 ( -8.145 -4.702 -1.602) 9.540 10.792 ( -3.197 -1.846 -0.258) 3.700 12.350 ( 6.444 3.720 -14.345) 16.160 15.301 ( -34.752 -20.064 8.310) 40.979 16.481 ( 4.310 2.489 -4.808) 6.920======================= Grid point 2089 (542/580) =======================q-point: ( 0.61 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.528 ( 6.537 3.774 3.674) 8.395 4.138 ( 14.881 8.591 17.333) 24.406 4.890 ( 24.653 14.233 -1.485) 28.505 5.199 ( 0.094 0.054 -11.797) 11.798 6.588 ( 19.656 11.348 -2.997) 22.894 8.110 ( 30.629 17.684 2.566) 35.460 8.803 ( 13.676 7.896 -0.191) 15.793 10.370 ( 3.958 2.285 -0.535) 4.602 10.728 ( -2.272 -1.312 -0.280) 2.638 12.341 ( -2.062 -1.190 -11.775) 12.013 14.509 ( -34.491 -19.913 2.177) 39.886 16.524 ( -0.977 -0.564 3.141) 3.337======================= Grid point 2090 (543/580) =======================q-point: ( 0.67 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.668 ( 5.040 2.910 1.123) 5.927 4.528 ( 14.224 8.212 13.790) 21.446 5.135 ( -1.191 -0.688 -16.596) 16.653 5.407 ( 20.002 11.548 -0.120) 23.097 6.967 ( 12.826 7.405 0.940) 14.840 8.587 ( 11.551 6.669 2.882) 13.646 9.134 ( 14.752 8.517 0.025) 17.035 10.647 ( 17.676 10.205 -0.023) 20.411 10.682 ( -1.717 -0.991 -0.244) 1.997 12.260 ( -0.482 -0.278 -9.154) 9.171 13.759 ( -30.101 -17.379 0.097) 34.758 16.450 ( -6.472 -3.737 5.864) 9.500======================= Grid point 2103 (544/580) =======================q-point: ( 0.39 0.39 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.286 ( 0.000 18.474 22.939) 29.453 2.448 ( 0.000 35.352 26.321) 44.074 3.372 ( -0.000 3.072 -14.756) 15.072 3.560 ( -0.000 20.696 -15.341) 25.762 4.417 ( 0.000 3.514 56.149) 56.259 6.785 ( -0.000 -24.403 -23.732) 34.040 8.013 ( 0.000 2.216 0.883) 2.385 9.453 ( -0.000 92.753 -27.355) 96.702 11.006 ( -0.000 -4.006 -0.875) 4.100 11.026 ( -0.000 -2.137 -0.505) 2.196 15.885 ( 0.000 2.922 4.341) 5.233 17.548 ( -0.000 -20.004 -2.011) 20.105======================= Grid point 2104 (545/580) =======================q-point: ( 0.44 0.39 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.576 ( 4.734 23.868 22.239) 32.964 3.090 ( 16.713 22.517 25.912) 38.180 3.433 ( 7.020 5.979 -15.354) 17.911 3.905 ( 16.942 32.866 -16.437) 40.464 4.693 ( 7.885 11.241 43.383) 45.505 6.464 ( -5.452 -8.295 -23.317) 25.342 8.087 ( 3.983 3.767 0.397) 5.496 10.633 ( 38.107 65.340 -24.938) 79.646 10.923 ( -2.670 -5.943 -2.247) 6.892 10.985 ( -1.476 -2.153 -0.720) 2.708 15.957 ( 2.767 3.357 6.174) 7.553 17.167 ( -15.767 -23.615 -5.286) 28.883======================= Grid point 2105 (546/580) =======================q-point: ( 0.50 0.39 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.004 ( 8.778 20.671 19.957) 30.044 3.471 ( 6.957 7.593 18.299) 20.998 3.665 ( 12.494 15.314 -11.452) 22.842 4.590 ( 23.736 24.074 -2.402) 33.893 5.239 ( 23.208 24.918 15.538) 37.429 6.372 ( 5.895 7.144 -17.171) 19.510 8.224 ( 6.089 6.299 -0.154) 8.762 10.738 ( -7.145 -9.115 -1.767) 11.716 10.915 ( -2.849 -1.980 -0.232) 3.477 11.694 ( 30.048 31.620 -18.264) 47.289 16.046 ( 0.048 -5.548 17.603) 18.457 16.592 ( -19.302 -14.625 -17.200) 29.703======================= Grid point 2106 (547/580) =======================q-point: ( 0.56 0.39 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.336 ( 4.855 13.047 10.949) 17.711 3.728 ( 8.595 8.212 17.502) 21.157 4.114 ( 19.126 24.252 -6.138) 31.490 5.043 ( 10.838 6.952 0.240) 12.878 5.871 ( 20.579 18.231 -7.115) 28.399 6.865 ( 31.800 30.356 -1.686) 43.995 8.425 ( 8.411 9.130 -0.327) 12.418 10.496 ( -7.838 -10.717 -1.488) 13.360 10.848 ( -3.390 -0.022 -0.239) 3.399 12.200 ( 12.200 8.975 -12.345) 19.540 15.637 ( -27.283 -27.541 10.219) 40.091 16.425 ( 3.454 5.560 -8.211) 10.501======================= Grid point 2107 (548/580) =======================q-point: ( 0.61 0.39 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.536 ( 2.790 10.518 4.463) 11.762 4.050 ( 12.060 10.020 16.186) 22.535 4.709 ( 20.055 26.537 -1.618) 33.302 5.149 ( 1.593 -0.597 -8.697) 8.862 6.366 ( 19.862 15.738 -3.901) 25.640 7.795 ( 33.598 30.604 1.827) 45.484 8.693 ( 10.598 11.724 -0.172) 15.805 10.295 ( -1.317 -9.505 -0.625) 9.616 10.805 ( -3.315 3.629 -0.266) 4.922 12.299 ( 1.130 -1.456 -10.035) 10.203 14.866 ( -31.497 -25.264 1.599) 40.409 16.510 ( 2.305 -0.456 2.439) 3.387======================= Grid point 2108 (549/580) =======================q-point: ( 0.67 0.39 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.683 ( 1.505 9.954 1.645) 10.201 4.423 ( 13.399 9.966 14.453) 22.085 5.094 ( -1.032 -2.138 -13.504) 13.711 5.289 ( 16.111 25.545 -0.258) 30.203 6.817 ( 15.667 12.454 -0.577) 20.023 8.486 ( 15.350 17.869 2.766) 23.719 9.017 ( 11.915 13.625 0.150) 18.101 10.325 ( 13.986 -6.206 -0.221) 15.303 10.824 ( -1.610 10.853 -0.184) 10.974 12.224 ( -1.280 -4.115 -8.650) 9.664 14.092 ( -30.318 -21.508 -0.851) 37.182 16.488 ( -2.244 -6.608 6.042) 9.231======================= Grid point 2123 (550/580) =======================q-point: ( 0.44 0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.858 ( 0.000 24.818 18.804) 31.137 3.276 ( 0.000 26.082 22.896) 34.706 3.381 ( -0.000 7.734 -16.755) 18.454 4.089 ( -0.000 39.959 -12.862) 41.978 4.882 ( 0.000 16.805 36.204) 39.914 6.362 ( -0.000 -4.788 -22.477) 22.981 8.099 ( 0.000 5.795 1.302) 5.940 10.874 ( -0.000 -8.435 -1.446) 8.559 10.943 ( -0.000 66.753 -19.779) 69.622 10.962 ( -0.000 -3.825 -0.488) 3.856 15.984 ( 0.000 2.198 8.045) 8.340 17.025 ( -0.000 -26.523 -8.800) 27.945======================= Grid point 2124 (551/580) =======================q-point: ( 0.50 0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.183 ( 3.384 20.539 18.128) 27.603 3.484 ( 5.456 13.745 -6.078) 15.988 3.628 ( 8.342 17.863 4.516) 20.225 4.557 ( 11.227 31.502 -1.160) 33.463 5.270 ( 9.750 27.469 15.660) 33.089 6.329 ( 3.247 10.693 -15.884) 19.421 8.207 ( 3.930 7.899 0.959) 8.875 10.735 ( -4.509 -10.671 -1.610) 11.696 10.917 ( -0.528 -3.422 -0.341) 3.480 11.610 ( 15.273 40.076 -12.340) 44.628 16.016 ( 0.594 -9.467 17.007) 19.474 16.650 ( -10.609 -15.386 -18.624) 26.384======================= Grid point 2125 (552/580) =======================q-point: ( 0.56 0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.437 ( 3.708 11.743 8.017) 14.694 3.742 ( 5.723 13.589 8.213) 16.878 4.059 ( 16.526 28.068 -4.073) 32.825 4.961 ( 8.596 10.834 3.294) 14.217 5.758 ( 13.603 22.938 -4.389) 27.027 6.736 ( 20.800 36.455 -2.715) 42.059 8.395 ( 6.743 10.801 0.400) 12.740 10.506 ( -7.466 -12.620 -1.388) 14.729 10.880 ( -0.729 -1.174 -0.258) 1.405 12.083 ( 10.440 14.494 -7.240) 19.274 15.731 ( -14.770 -33.606 13.925) 39.261 16.445 ( -1.994 7.256 -14.435) 16.279======================= Grid point 2126 (553/580) =======================q-point: ( 0.61 0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.627 ( 2.852 11.925 3.223) 12.678 4.017 ( 8.837 12.353 9.164) 17.739 4.675 ( 18.778 32.440 -1.237) 37.503 5.091 ( 2.022 -0.243 -3.652) 4.182 6.216 ( 16.376 20.507 -3.214) 26.439 7.602 ( 29.639 40.804 0.794) 50.439 8.655 ( 8.956 13.918 0.135) 16.551 10.244 ( -6.359 -13.402 -0.678) 14.849 10.875 ( -0.541 3.055 -0.237) 3.112 12.234 ( 2.222 0.102 -5.573) 6.001 15.074 ( -23.801 -31.510 2.940) 39.598 16.479 ( 1.024 1.222 -1.435) 2.145======================= Grid point 2127 (554/580) =======================q-point: ( 0.67 0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.793 ( 1.041 13.275 1.071) 13.358 4.349 ( 11.916 11.683 9.573) 19.239 5.054 ( -1.121 -2.745 -7.576) 8.136 5.309 ( 16.281 32.335 -0.189) 36.203 6.690 ( 15.776 17.925 -0.835) 23.893 8.429 ( 20.225 30.848 1.588) 36.921 8.977 ( 10.561 16.396 0.250) 19.505 10.074 ( 3.756 -11.845 -0.173) 12.427 10.935 ( 0.793 9.487 -0.129) 9.521 12.180 ( -1.932 -5.320 -5.384) 7.811 14.347 ( -26.355 -26.304 -1.098) 37.251 16.455 ( -1.072 -7.490 4.117) 8.613======================= Grid point 2143 (555/580) =======================q-point: ( 0.50 0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.332 ( 0.000 7.850 6.552) 10.225 3.618 ( -0.000 30.082 -8.080) 31.148 3.751 ( 0.000 15.011 7.804) 16.919 4.765 ( 0.000 24.255 4.314) 24.636 5.510 ( 0.000 28.796 4.646) 29.168 6.427 ( -0.000 26.397 -8.752) 27.810 8.262 ( 0.000 9.703 1.415) 9.806 10.663 ( -0.000 -11.304 -1.484) 11.401 10.875 ( -0.000 -4.408 -0.355) 4.422 11.831 ( -0.000 30.809 -5.511) 31.298 15.907 ( 0.000 -25.395 19.446) 31.985 16.575 ( -0.000 -2.114 -22.591) 22.689======================= Grid point 2144 (556/580) =======================q-point: ( 0.56 0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.450 ( 5.207 6.436 0.186) 8.281 3.876 ( -0.170 17.889 1.500) 17.953 4.075 ( 13.049 29.548 -1.800) 32.351 4.984 ( 2.706 9.217 5.335) 10.989 5.830 ( 5.383 25.563 -2.745) 26.267 6.864 ( 10.620 44.964 -1.495) 46.226 8.412 ( 4.370 11.961 1.021) 12.775 10.494 ( -5.532 -11.864 -1.242) 13.149 10.848 ( 1.591 -3.026 -0.226) 3.426 12.094 ( 3.847 13.908 -0.960) 14.462 15.587 ( -5.912 -37.896 13.321) 40.602 16.521 ( -2.714 7.768 -16.307) 18.266======================= Grid point 2145 (557/580) =======================q-point: ( 0.61 0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.640 ( 7.849 8.136 0.290) 11.309 4.064 ( 3.511 15.590 -0.855) 16.003 4.672 ( 18.831 32.857 -0.800) 37.879 5.064 ( 0.569 -0.159 2.011) 2.096 6.207 ( 9.924 24.539 -1.054) 26.491 7.606 ( 20.296 46.425 -0.186) 50.668 8.654 ( 7.822 14.742 0.399) 16.694 10.244 ( -8.592 -12.109 -0.660) 14.862 10.875 ( 2.896 1.043 -0.135) 3.081 12.206 ( 0.646 1.104 0.445) 1.354 15.064 ( -13.431 -37.122 5.039) 39.797 16.504 ( -2.566 2.979 -6.597) 7.680======================= Grid point 2146 (558/580) =======================q-point: ( 0.67 0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.864 ( 6.369 11.031 -0.000) 12.738 4.314 ( 8.187 14.180 -0.000) 16.374 5.038 ( -1.593 -2.760 -0.000) 3.187 5.334 ( 18.927 32.783 -0.000) 37.855 6.639 ( 12.761 22.102 -0.000) 25.521 8.411 ( 21.856 37.856 -0.000) 43.713 8.969 ( 9.870 17.096 -0.000) 19.741 9.980 ( -6.830 -11.831 -0.000) 13.661 10.976 ( 4.270 7.396 -0.000) 8.541 12.161 ( -2.865 -4.962 -0.000) 5.730 14.446 ( -18.359 -31.798 -0.000) 36.717 16.428 ( -3.522 -6.101 -0.000) 7.045======================= Grid point 2163 (559/580) =======================q-point: ( 0.56 0.56 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.452 ( -0.000 6.049 -3.089) 6.792 4.044 ( -0.000 14.888 -6.489) 16.241 4.256 ( 0.000 32.661 0.393) 32.663 5.046 ( 0.000 3.029 6.423) 7.101 6.044 ( 0.000 26.777 -0.634) 26.784 7.247 ( 0.000 49.618 -0.826) 49.624 8.501 ( 0.000 13.338 1.054) 13.379 10.439 ( -0.000 -9.033 -1.018) 9.090 10.790 ( -0.000 -3.830 -0.075) 3.830 12.181 ( 0.000 7.187 3.722) 8.093 15.278 ( 0.000 -40.600 9.566) 41.712 16.575 ( -0.000 6.909 -13.811) 15.443======================= Grid point 2164 (560/580) =======================q-point: ( 0.61 0.56 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.568 ( 6.963 6.505 -2.381) 9.821 4.173 ( 0.918 16.136 -9.926) 18.967 4.702 ( 13.406 31.356 0.011) 34.102 5.072 ( -0.427 -1.213 7.275) 7.388 6.344 ( 3.890 25.817 0.936) 26.125 7.810 ( 9.570 45.005 -1.291) 46.030 8.690 ( 5.102 15.236 0.527) 16.076 10.294 ( -7.692 -5.818 -0.516) 9.659 10.803 ( 4.789 -1.101 0.039) 4.914 12.227 ( -0.890 -0.090 5.621) 5.692 14.849 ( -5.251 -39.929 4.999) 40.582 16.563 ( -3.095 2.422 -9.064) 9.879======================= Grid point 2184 (561/580) =======================q-point: (-0.39 -0.39 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.557 ( -0.000 6.281 -2.705) 6.839 4.288 ( -0.000 16.453 -14.952) 22.232 4.881 ( 0.000 29.146 0.486) 29.150 5.089 ( 0.000 -2.163 11.435) 11.638 6.568 ( 0.000 23.983 1.443) 24.027 8.133 ( -0.000 35.896 -2.400) 35.976 8.800 ( 0.000 15.987 0.408) 15.993 10.368 ( 0.000 4.674 -0.232) 4.680 10.725 ( 0.000 -2.665 0.220) 2.675 12.249 ( 0.000 -2.179 8.340) 8.620 14.504 ( 0.000 -39.840 3.101) 39.961 16.578 ( -0.000 -0.610 -8.400) 8.422======================= Grid point 2437 (562/580) =======================q-point: ( 0.39 0.39 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 570Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.133 ( 0.000 -0.000 23.777) 23.777 2.133 ( 0.000 -0.000 23.777) 23.777 3.308 ( -0.000 0.000 -13.740) 13.740 3.308 ( -0.000 0.000 -13.740) 13.740 4.577 ( 0.000 -0.000 57.617) 57.617 7.287 ( -0.000 0.000 -42.041) 42.041 8.000 ( 0.000 -0.000 0.355) 0.355 8.000 ( 0.000 -0.000 0.355) 0.355 11.045 ( -0.000 0.000 -0.367) 0.367 11.045 ( -0.000 0.000 -0.367) 0.367 15.865 ( 0.000 -0.000 3.533) 3.533 17.761 ( -0.000 0.000 -0.791) 0.791======================= Grid point 2438 (563/580) =======================q-point: ( 0.44 0.39 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.310 ( 11.238 6.488 23.162) 26.549 2.696 ( 33.852 19.544 22.194) 44.950 3.322 ( 4.140 2.390 -13.765) 14.572 3.422 ( 14.783 8.535 -16.567) 23.787 4.745 ( 1.515 0.875 49.314) 49.345 6.623 ( -20.452 -11.808 -26.107) 35.204 8.039 ( 2.816 1.626 -0.276) 3.263 9.307 ( 77.942 45.000 -18.828) 91.948 11.005 ( -3.499 -2.020 -0.885) 4.135 11.019 ( -2.012 -1.162 -0.208) 2.333 15.909 ( 3.012 1.739 3.213) 4.735 17.532 ( -18.826 -10.869 -1.164) 21.769======================= Grid point 2439 (564/580) =======================q-point: ( 0.50 0.39 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.736 ( 18.022 10.405 22.468) 30.624 3.383 ( 14.208 8.203 21.635) 27.152 3.426 ( 9.260 5.346 -15.158) 18.550 4.022 ( 41.246 23.814 -14.569) 49.806 5.016 ( 12.828 7.406 31.982) 35.246 6.281 ( -3.486 -2.012 -21.627) 21.999 8.131 ( 5.360 3.094 -0.781) 6.238 10.842 ( 12.482 7.206 -3.830) 14.913 10.945 ( 40.562 23.419 -15.186) 49.238 10.956 ( -3.340 -1.928 -0.082) 3.857 16.034 ( 6.886 3.976 5.119) 9.457 16.948 ( -29.788 -17.198 -3.798) 34.605======================= Grid point 2440 (565/580) =======================q-point: ( 0.56 0.39 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.169 ( 12.116 6.995 17.131) 22.118 3.663 ( 8.352 4.822 16.900) 19.458 3.717 ( 20.961 12.102 -11.924) 26.981 4.825 ( 24.506 14.148 -2.298) 28.390 5.530 ( 24.019 13.867 3.407) 27.943 6.417 ( 23.057 13.312 -8.066) 27.819 8.285 ( 8.319 4.803 -0.970) 9.655 10.659 ( -10.029 -5.790 -1.043) 11.628 10.872 ( -3.743 -2.161 -0.040) 4.322 11.893 ( 28.571 16.495 -12.199) 35.174 16.132 ( -26.686 -15.407 16.907) 35.148 16.301 ( 1.546 0.893 -14.809) 14.916======================= Grid point 2441 (566/580) =======================q-point: ( 0.61 0.39 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.406 ( 6.729 3.885 6.868) 10.370 3.938 ( 11.583 6.687 16.056) 20.897 4.274 ( 27.139 15.669 -3.362) 31.518 5.109 ( 4.016 2.319 -6.680) 8.132 6.059 ( 23.204 13.397 -4.004) 27.092 7.240 ( 42.483 24.528 0.870) 49.063 8.509 ( 11.380 6.570 -0.801) 13.165 10.436 ( -7.944 -4.587 -0.307) 9.179 10.790 ( -3.243 -1.872 -0.096) 3.746 12.241 ( 6.802 3.927 -9.426) 12.270 15.332 ( -36.235 -20.920 -1.619) 41.871 16.485 ( 6.526 3.768 5.581) 9.378======================= Grid point 2457 (567/580) =======================q-point: ( 0.44 0.44 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.467 ( 0.000 17.479 16.109) 23.770 2.675 ( 0.000 36.711 23.100) 43.374 3.245 ( -0.000 2.394 -12.355) 12.585 3.417 ( -0.000 18.797 -15.806) 24.559 4.883 ( 0.000 -0.139 44.612) 44.612 6.552 ( -0.000 -22.399 -26.032) 34.342 8.022 ( 0.000 2.445 0.876) 2.597 9.261 ( -0.000 88.122 -15.171) 89.418 11.000 ( -0.000 -4.334 -0.473) 4.359 11.022 ( -0.000 -2.179 -0.376) 2.211 15.917 ( 0.000 3.424 2.663) 4.338 17.533 ( -0.000 -21.233 -1.267) 21.271======================= Grid point 2458 (568/580) =======================q-point: ( 0.50 0.44 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.760 ( 6.697 22.941 17.349) 29.532 3.296 ( 6.289 4.523 -13.649) 15.694 3.312 ( 15.655 20.380 22.254) 33.995 3.747 ( 18.576 37.157 -17.827) 45.205 5.044 ( 4.008 5.482 31.613) 32.334 6.255 ( -4.498 -6.794 -20.927) 22.457 8.089 ( 3.364 4.158 0.210) 5.352 10.460 ( 39.156 67.188 -12.820) 78.815 10.910 ( -3.729 -6.869 -0.928) 7.871 10.981 ( -1.635 -2.566 -0.264) 3.054 16.000 ( 3.697 5.620 3.286) 7.487 17.130 ( -16.582 -26.822 -2.763) 31.654======================= Grid point 2459 (569/580) =======================q-point: ( 0.56 0.44 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.182 ( 7.248 17.708 19.171) 27.086 3.489 ( 14.419 11.682 -12.722) 22.499 3.658 ( 7.780 11.338 7.658) 15.739 4.556 ( 27.165 29.706 -3.548) 40.410 5.367 ( 14.005 14.707 9.983) 22.630 6.241 ( 9.818 11.486 -9.859) 18.043 8.221 ( 5.704 6.685 -0.494) 8.802 10.726 ( -7.212 -9.322 -0.702) 11.807 10.914 ( -2.816 -2.050 -0.036) 3.484 11.573 ( 30.350 33.613 -8.312) 46.044 16.179 ( 7.511 5.492 8.924) 12.893 16.465 ( -26.049 -26.196 -8.070) 37.815======================= Grid point 2460 (570/580) =======================q-point: ( 0.61 0.44 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.419 ( 2.847 9.707 6.688) 12.126 3.847 ( 11.851 7.775 8.133) 16.342 4.075 ( 19.698 25.999 -2.065) 32.684 5.026 ( 8.085 6.500 -3.658) 11.000 5.828 ( 19.376 17.037 -2.248) 25.899 6.857 ( 33.831 32.088 -0.089) 46.628 8.420 ( 8.283 9.480 -0.717) 12.609 10.488 ( -7.670 -10.728 -0.127) 13.189 10.847 ( -3.398 -0.097 -0.006) 3.400 12.117 ( 11.666 10.077 -5.937) 16.519 15.669 ( -30.845 -27.321 -3.443) 41.349 16.414 ( 8.103 5.128 6.004) 11.314======================= Grid point 2477 (571/580) =======================q-point: ( 0.50 0.50 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.990 ( 0.000 27.155 6.795) 27.992 3.251 ( -0.000 4.438 -8.071) 9.211 3.458 ( 0.000 19.665 15.847) 25.255 3.970 ( -0.000 47.861 -11.706) 49.271 5.162 ( 0.000 9.251 22.214) 24.064 6.177 ( -0.000 -2.135 -15.883) 16.026 8.111 ( 0.000 5.928 1.278) 6.065 10.816 ( -0.000 63.834 -7.579) 64.282 10.868 ( -0.000 -3.615 -0.298) 3.627 10.958 ( -0.000 -3.836 -0.334) 3.851 16.041 ( 0.000 6.785 4.311) 8.039 16.961 ( -0.000 -32.318 -5.201) 32.734======================= Grid point 2478 (572/580) =======================q-point: ( 0.56 0.50 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.326 ( 3.417 6.368 2.429) 7.624 3.374 ( 10.338 28.570 -3.000) 30.531 3.685 ( 4.627 12.950 2.792) 14.032 4.542 ( 12.779 38.102 -0.716) 40.194 5.383 ( 5.688 17.030 6.786) 19.195 6.221 ( 5.105 15.566 -5.941) 17.426 8.215 ( 3.466 8.101 0.774) 8.845 10.725 ( -4.526 -10.879 -0.478) 11.793 10.914 ( -0.451 -3.452 -0.165) 3.485 11.544 ( 14.916 42.472 -2.060) 45.062 16.155 ( 3.674 1.960 12.179) 12.871 16.498 ( -13.066 -27.720 -13.426) 33.457======================= Grid point 2479 (573/580) =======================q-point: ( 0.61 0.50 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.475 ( 4.753 8.232 -0.000) 9.506 3.777 ( 8.317 14.406 -0.000) 16.634 4.042 ( 16.157 27.985 -0.000) 32.315 4.975 ( 6.692 11.590 -0.000) 13.383 5.738 ( 12.228 21.180 0.000) 24.456 6.724 ( 22.052 38.195 -0.000) 44.103 8.397 ( 6.382 11.055 -0.000) 12.765 10.500 ( -7.342 -12.717 -0.000) 14.685 10.879 ( -0.703 -1.218 -0.000) 1.406 12.049 ( 9.243 16.009 -0.000) 18.486 15.801 ( -20.238 -35.053 -0.000) 40.476 16.372 ( 4.672 8.093 -0.000) 9.344======================= Grid point 2497 (574/580) =======================q-point: ( 0.56 0.56 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.306 ( -0.000 7.749 -11.421) 13.802 3.621 ( 0.000 30.052 7.876) 31.067 3.765 ( -0.000 11.608 -4.961) 12.624 4.797 ( 0.000 28.454 3.310) 28.646 5.542 ( 0.000 21.849 1.385) 21.893 6.381 ( 0.000 30.397 -0.747) 30.406 8.274 ( 0.000 9.659 1.271) 9.743 10.655 ( -0.000 -11.503 -0.230) 11.505 10.873 ( -0.000 -4.362 -0.170) 4.366 11.821 ( 0.000 32.798 3.472) 32.981 16.081 ( 0.000 -28.987 18.369) 34.318 16.374 ( -0.000 0.675 -21.055) 21.066======================= Grid point 2793 (575/580) =======================q-point: ( 0.44 0.44 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 580Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.314 ( 0.000 -0.000 15.152) 15.152 2.314 ( 0.000 -0.000 15.152) 15.152 3.195 ( -0.000 0.000 -10.096) 10.096 3.195 ( -0.000 0.000 -10.096) 10.096 5.032 ( 0.000 -0.000 39.966) 39.966 6.937 ( -0.000 0.000 -32.223) 32.223 8.003 ( 0.000 -0.000 0.189) 0.189 8.003 ( 0.000 -0.000 0.189) 0.189 11.043 ( -0.000 0.000 -0.196) 0.196 11.043 ( -0.000 0.000 -0.196) 0.196 15.890 ( 0.000 -0.000 1.869) 1.869 17.756 ( -0.000 0.000 -0.429) 0.429======================= Grid point 2794 (576/580) =======================q-point: ( 0.50 0.44 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.488 ( 12.267 7.082 14.864) 20.532 2.858 ( 37.619 21.719 11.202) 44.860 3.210 ( 3.256 1.880 -9.679) 10.384 3.291 ( 10.623 6.133 -10.046) 15.855 5.111 ( -1.028 -0.594 27.725) 27.750 6.406 ( -18.741 -10.820 -18.324) 28.356 8.035 ( 2.595 1.498 -0.553) 3.047 9.190 ( 74.979 43.289 -7.186) 86.876 10.999 ( -3.787 -2.186 -0.441) 4.395 11.018 ( -1.974 -1.140 -0.003) 2.279 15.930 ( 3.210 1.853 1.326) 3.937 17.525 ( -19.131 -11.045 -0.386) 22.094======================= Grid point 2795 (577/580) =======================q-point: ( 0.56 0.44 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.924 ( 19.671 11.357 17.592) 28.730 3.292 ( 7.370 4.255 -13.127) 15.644 3.518 ( 10.951 6.323 5.266) 13.698 3.924 ( 46.748 26.990 -4.039) 54.130 5.224 ( 7.364 4.252 10.130) 13.226 6.132 ( -1.365 -0.788 -7.759) 7.917 8.122 ( 5.253 3.033 -1.098) 6.164 10.798 ( 50.570 29.197 -3.246) 58.483 10.876 ( 2.427 1.401 -2.397) 3.688 10.956 ( -3.332 -1.924 0.136) 3.850 16.060 ( 7.896 4.559 0.386) 9.126 16.934 ( -30.630 -17.684 0.739) 35.376======================= Grid point 2813 (578/580) =======================q-point: ( 0.50 0.50 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.554 ( 0.000 16.363 1.525) 16.434 2.849 ( 0.000 41.837 12.975) 43.803 3.172 ( -0.000 2.293 -2.278) 3.232 3.291 ( -0.000 13.597 -9.778) 16.748 5.175 ( 0.000 -1.903 15.418) 15.535 6.364 ( -0.000 -21.037 -10.883) 23.685 8.029 ( 0.000 2.716 0.761) 2.821 9.175 ( 0.000 85.892 -3.871) 85.979 10.997 ( -0.000 -4.463 -0.022) 4.463 11.019 ( -0.000 -2.228 -0.199) 2.237 15.932 ( 0.000 3.688 0.706) 3.755 17.525 ( -0.000 -21.925 -0.449) 21.929======================= Grid point 2814 (579/580) =======================q-point: ( 0.56 0.50 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.852 ( 12.457 21.576 -0.000) 24.914 3.220 ( 2.724 4.717 0.000) 5.447 3.453 ( 6.662 11.540 -0.000) 13.325 3.627 ( 26.831 46.473 0.000) 53.662 5.205 ( 1.948 3.373 -0.000) 3.895 6.143 ( -3.429 -5.940 0.000) 6.858 8.090 ( 2.646 4.583 -0.000) 5.292 10.402 ( 39.043 67.624 -0.000) 78.086 10.905 ( -4.018 -6.960 -0.000) 8.037 10.979 ( -1.546 -2.678 -0.000) 3.093 16.015 ( 3.803 6.587 -0.000) 7.606 17.118 ( -16.333 -28.289 -0.000) 32.665======================= Grid point 3155 (580/580) =======================q-point: (-0.50 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 290Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.387 ( 0.000 -0.000 0.000) 0.000 2.387 ( 0.000 -0.000 0.000) 0.000 3.145 ( -0.000 0.000 -0.000) 0.000 3.145 ( -0.000 0.000 -0.000) 0.000 5.231 ( 0.000 -0.000 0.000) 0.000 6.773 ( -0.000 0.000 -0.000) 0.000 8.004 ( 0.000 -0.000 0.000) 0.000 8.004 ( 0.000 -0.000 0.000) 0.000 11.042 ( 0.000 -0.000 0.000) 0.000 11.042 ( 0.000 -0.000 0.000) 0.000 15.899 ( 0.000 -0.000 0.000) 0.000 17.754 ( 0.000 -0.000 0.000) 0.000=================== End of collection of collisions ===================----------- Thermal conductivity (W/m-k) with tetrahedron method -----------# T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/69984 10.0 2378.560 2378.560 6256.310 -0.000 0.000 0.000 3/69984 20.0 1311.267 1311.267 2812.950 -0.000 0.000 0.000 3/69984 30.0 464.396 464.396 583.807 -0.000 0.000 0.000 3/69984 40.0 214.827 214.827 222.973 -0.000 0.000 0.000 3/69984 50.0 127.566 127.566 120.855 -0.000 0.000 0.000 3/69984 60.0 87.225 87.225 78.499 -0.000 0.000 0.000 3/69984 70.0 64.754 64.754 56.528 -0.000 0.000 0.000 3/69984 80.0 50.761 50.761 43.447 -0.000 0.000 0.000 3/69984 90.0 41.396 41.396 34.932 -0.000 0.000 0.000 3/69984 100.0 34.794 34.794 29.035 -0.000 0.000 0.000 3/69984 110.0 29.945 29.945 24.759 -0.000 0.000 0.000 3/69984 120.0 26.261 26.261 21.544 -0.000 0.000 0.000 3/69984 130.0 23.384 23.384 19.055 -0.000 0.000 0.000 3/69984 140.0 21.083 21.083 17.081 -0.000 0.000 0.000 3/69984 150.0 19.204 19.204 15.481 -0.000 0.000 0.000 3/69984 160.0 17.643 17.643 14.161 -0.000 0.000 0.000 3/69984 170.0 16.326 16.326 13.056 -0.000 0.000 0.000 3/69984 180.0 15.200 15.200 12.116 -0.000 0.000 0.000 3/69984 190.0 14.226 14.226 11.309 -0.000 0.000 0.000 3/69984 200.0 13.376 13.376 10.607 -0.000 0.000 0.000 3/69984 210.0 12.626 12.626 9.991 -0.000 0.000 0.000 3/69984 220.0 11.960 11.960 9.446 -0.000 0.000 0.000 3/69984 230.0 11.364 11.364 8.961 -0.000 0.000 0.000 3/69984 240.0 10.828 10.828 8.526 -0.000 0.000 0.000 3/69984 250.0 10.342 10.342 8.133 -0.000 0.000 0.000 3/69984 260.0 9.899 9.899 7.776 -0.000 0.000 0.000 3/69984 270.0 9.495 9.495 7.451 -0.000 0.000 0.000 3/69984 280.0 9.124 9.124 7.153 -0.000 0.000 0.000 3/69984 290.0 8.782 8.782 6.879 -0.000 0.000 0.000 3/69984 300.0 8.465 8.465 6.627 -0.000 0.000 0.000 3/69984 310.0 8.171 8.171 6.393 -0.000 0.000 0.000 3/69984 320.0 7.898 7.898 6.175 -0.000 0.000 0.000 3/69984 330.0 7.643 7.643 5.973 -0.000 0.000 0.000 3/69984 340.0 7.405 7.405 5.783 -0.000 0.000 0.000 3/69984 350.0 7.181 7.181 5.606 -0.000 0.000 0.000 3/69984 360.0 6.971 6.971 5.440 -0.000 0.000 0.000 3/69984 370.0 6.773 6.773 5.283 -0.000 0.000 0.000 3/69984 380.0 6.586 6.586 5.136 -0.000 0.000 0.000 3/69984 390.0 6.410 6.410 4.997 -0.000 0.000 0.000 3/69984 400.0 6.243 6.243 4.865 -0.000 0.000 0.000 3/69984 410.0 6.085 6.085 4.740 -0.000 0.000 0.000 3/69984 420.0 5.934 5.934 4.622 -0.000 0.000 0.000 3/69984 430.0 5.791 5.791 4.510 -0.000 0.000 0.000 3/69984 440.0 5.655 5.655 4.403 -0.000 0.000 0.000 3/69984 450.0 5.526 5.526 4.301 -0.000 0.000 0.000 3/69984 460.0 5.402 5.402 4.204 -0.000 0.000 0.000 3/69984 470.0 5.283 5.283 4.111 -0.000 0.000 0.000 3/69984 480.0 5.170 5.170 4.022 -0.000 0.000 0.000 3/69984 490.0 5.062 5.062 3.937 -0.000 0.000 0.000 3/69984 500.0 4.958 4.958 3.856 -0.000 0.000 0.000 3/69984 510.0 4.859 4.859 3.778 -0.000 0.000 0.000 3/69984 520.0 4.763 4.763 3.703 -0.000 0.000 0.000 3/69984 530.0 4.671 4.671 3.632 -0.000 0.000 0.000 3/69984 540.0 4.583 4.583 3.562 -0.000 0.000 0.000 3/69984 550.0 4.498 4.498 3.496 -0.000 0.000 0.000 3/69984 560.0 4.416 4.416 3.432 -0.000 0.000 0.000 3/69984 570.0 4.337 4.337 3.370 -0.000 0.000 0.000 3/69984 580.0 4.261 4.261 3.311 -0.000 0.000 0.000 3/69984 590.0 4.188 4.188 3.254 -0.000 0.000 0.000 3/69984 600.0 4.117 4.117 3.198 -0.000 0.000 0.000 3/69984 610.0 4.048 4.048 3.145 -0.000 0.000 0.000 3/69984 620.0 3.982 3.982 3.093 -0.000 0.000 0.000 3/69984 630.0 3.918 3.918 3.043 -0.000 0.000 0.000 3/69984 640.0 3.856 3.856 2.994 -0.000 0.000 0.000 3/69984 650.0 3.795 3.795 2.948 -0.000 0.000 0.000 3/69984 660.0 3.737 3.737 2.902 -0.000 0.000 0.000 3/69984 670.0 3.681 3.681 2.858 -0.000 0.000 0.000 3/69984 680.0 3.626 3.626 2.815 -0.000 0.000 0.000 3/69984 690.0 3.573 3.573 2.774 -0.000 0.000 0.000 3/69984 700.0 3.521 3.521 2.734 -0.000 0.000 0.000 3/69984 710.0 3.471 3.471 2.695 -0.000 0.000 0.000 3/69984 720.0 3.422 3.422 2.657 -0.000 0.000 0.000 3/69984 730.0 3.375 3.375 2.620 -0.000 0.000 0.000 3/69984 740.0 3.329 3.329 2.584 -0.000 0.000 0.000 3/69984 750.0 3.284 3.284 2.549 -0.000 0.000 0.000 3/69984 760.0 3.240 3.240 2.515 -0.000 0.000 0.000 3/69984 770.0 3.198 3.198 2.482 -0.000 0.000 0.000 3/69984 780.0 3.157 3.157 2.450 -0.000 0.000 0.000 3/69984 790.0 3.116 3.116 2.418 -0.000 0.000 0.000 3/69984 800.0 3.077 3.077 2.388 -0.000 0.000 0.000 3/69984 810.0 3.039 3.039 2.358 -0.000 0.000 0.000 3/69984 820.0 3.001 3.001 2.329 -0.000 0.000 0.000 3/69984 830.0 2.965 2.965 2.301 -0.000 0.000 0.000 3/69984 840.0 2.929 2.929 2.273 -0.000 0.000 0.000 3/69984 850.0 2.895 2.895 2.246 -0.000 0.000 0.000 3/69984 860.0 2.861 2.861 2.220 -0.000 0.000 0.000 3/69984 870.0 2.828 2.828 2.194 -0.000 0.000 0.000 3/69984 880.0 2.795 2.795 2.169 -0.000 0.000 0.000 3/69984 890.0 2.764 2.764 2.144 -0.000 0.000 0.000 3/69984 900.0 2.733 2.733 2.120 -0.000 0.000 0.000 3/69984 910.0 2.703 2.703 2.097 -0.000 0.000 0.000 3/69984 920.0 2.673 2.673 2.074 -0.000 0.000 0.000 3/69984 930.0 2.644 2.644 2.051 -0.000 0.000 0.000 3/69984 940.0 2.616 2.616 2.029 -0.000 0.000 0.000 3/69984 950.0 2.588 2.588 2.008 -0.000 0.000 0.000 3/69984 960.0 2.561 2.561 1.987 -0.000 0.000 0.000 3/69984 970.0 2.534 2.534 1.966 -0.000 0.000 0.000 3/69984 980.0 2.508 2.508 1.946 -0.000 0.000 0.000 3/69984 990.0 2.483 2.483 1.926 -0.000 0.000 0.000 3/69984 1000.0 2.458 2.458 1.907 -0.000 0.000 0.000 3/69984Thermal conductivity related properties were written into "kappa-m181818.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 22:46:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|