# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/4222ee7f-d9da-4cc6-950e-5dc8946a01e2/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 NaErO2 / R-3m (166) / materials id 11601](https://mdr.nims.go.jp/datasets/29aeec18-1b76-40be-8806-71572ee00d03) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 23:53:48]-------------------------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 1.673666244103714 0.966291656566867 5.490440579999994 b -1.673666244103711 0.966291656566867 5.490440579999994 c 0.000000000000002 -1.932583313133737 5.490440579999994Atomic positions (fractional): *1 O 0.26335846576638 0.26335846576639 0.26335846576638 15.999 2 O 0.73664153423362 0.73664153423362 0.73664153423362 15.999 *3 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 *4 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259-------------------------------- unit cell ---------------------------------Lattice vectors: a 3.347332488207425 0.000000000000000 0.000000000000000 b -1.673666244103713 2.898874969700604 0.000000000000000 c 0.000000000000000 0.000000000000000 16.471321740000000Atomic positions (fractional): *1 O 0.33333333333333 0.66666666666667 0.93002513243305 15.999 > 1 2 O 0.00000000000000 0.00000000000000 0.73664153423362 15.999 > 2 3 O 0.00000000000000 0.00000000000000 0.26335846576638 15.999 > 1 4 O 0.66666666666667 0.33333333333333 0.06997486756695 15.999 > 2 5 O 0.66666666666667 0.33333333333333 0.59669179909972 15.999 > 1 6 O 0.33333333333333 0.66666666666667 0.40330820090028 15.999 > 2 *7 Na 0.66666666666667 0.33333333333333 0.83333333333333 22.990 > 3 8 Na 0.33333333333333 0.66666666666667 0.16666666666667 22.990 > 3 9 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 3 *10 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 4 11 Er 0.66666666666667 0.33333333333333 0.33333333333333 167.259 > 4 12 Er 0.33333333333333 0.66666666666667 0.66666666666667 167.259 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 10.041997464622275 0.000000000000000 0.000000000000000 b -5.020998732311138 8.696624909101812 0.000000000000000 c 0.000000000000000 0.000000000000000 16.471321740000000Atomic positions (fractional): *1 O 0.11111111111111 0.22222222222222 0.93002513243305 15.999 > 1 2 O 0.44444444444444 0.22222222222222 0.93002513243305 15.999 > 1 3 O 0.77777777777778 0.22222222222222 0.93002513243305 15.999 > 1 4 O 0.11111111111111 0.55555555555556 0.93002513243305 15.999 > 1 5 O 0.44444444444444 0.55555555555556 0.93002513243305 15.999 > 1 6 O 0.77777777777778 0.55555555555556 0.93002513243305 15.999 > 1 7 O 0.11111111111111 0.88888888888889 0.93002513243305 15.999 > 1 8 O 0.44444444444444 0.88888888888889 0.93002513243305 15.999 > 1 9 O 0.77777777777778 0.88888888888889 0.93002513243305 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.73664153423362 15.999 > 2 11 O 0.33333333333333 0.00000000000000 0.73664153423362 15.999 > 2 12 O 0.66666666666667 0.00000000000000 0.73664153423362 15.999 > 2 13 O 0.00000000000000 0.33333333333333 0.73664153423362 15.999 > 2 14 O 0.33333333333333 0.33333333333333 0.73664153423362 15.999 > 2 15 O 0.66666666666667 0.33333333333333 0.73664153423362 15.999 > 2 16 O 0.00000000000000 0.66666666666667 0.73664153423362 15.999 > 2 17 O 0.33333333333333 0.66666666666667 0.73664153423362 15.999 > 2 18 O 0.66666666666667 0.66666666666667 0.73664153423362 15.999 > 2 19 O 0.00000000000000 0.00000000000000 0.26335846576638 15.999 > 1 20 O 0.33333333333333 0.00000000000000 0.26335846576638 15.999 > 1 21 O 0.66666666666667 0.00000000000000 0.26335846576638 15.999 > 1 22 O 0.00000000000000 0.33333333333333 0.26335846576638 15.999 > 1 23 O 0.33333333333333 0.33333333333333 0.26335846576638 15.999 > 1 24 O 0.66666666666667 0.33333333333333 0.26335846576638 15.999 > 1 25 O 0.00000000000000 0.66666666666667 0.26335846576638 15.999 > 1 26 O 0.33333333333333 0.66666666666667 0.26335846576638 15.999 > 1 27 O 0.66666666666667 0.66666666666667 0.26335846576638 15.999 > 1 28 O 0.22222222222222 0.11111111111111 0.06997486756695 15.999 > 2 29 O 0.55555555555556 0.11111111111111 0.06997486756695 15.999 > 2 30 O 0.88888888888889 0.11111111111111 0.06997486756695 15.999 > 2 31 O 0.22222222222222 0.44444444444444 0.06997486756695 15.999 > 2 32 O 0.55555555555556 0.44444444444444 0.06997486756695 15.999 > 2 33 O 0.88888888888889 0.44444444444444 0.06997486756695 15.999 > 2 34 O 0.22222222222222 0.77777777777778 0.06997486756695 15.999 > 2 35 O 0.55555555555556 0.77777777777778 0.06997486756695 15.999 > 2 36 O 0.88888888888889 0.77777777777778 0.06997486756695 15.999 > 2 37 O 0.22222222222222 0.11111111111111 0.59669179909972 15.999 > 1 38 O 0.55555555555556 0.11111111111111 0.59669179909972 15.999 > 1 39 O 0.88888888888889 0.11111111111111 0.59669179909972 15.999 > 1 40 O 0.22222222222222 0.44444444444444 0.59669179909972 15.999 > 1 41 O 0.55555555555556 0.44444444444444 0.59669179909972 15.999 > 1 42 O 0.88888888888889 0.44444444444444 0.59669179909972 15.999 > 1 43 O 0.22222222222222 0.77777777777778 0.59669179909972 15.999 > 1 44 O 0.55555555555556 0.77777777777778 0.59669179909972 15.999 > 1 45 O 0.88888888888889 0.77777777777778 0.59669179909972 15.999 > 1 46 O 0.11111111111111 0.22222222222222 0.40330820090028 15.999 > 2 47 O 0.44444444444444 0.22222222222222 0.40330820090028 15.999 > 2 48 O 0.77777777777778 0.22222222222222 0.40330820090028 15.999 > 2 49 O 0.11111111111111 0.55555555555556 0.40330820090028 15.999 > 2 50 O 0.44444444444444 0.55555555555556 0.40330820090028 15.999 > 2 51 O 0.77777777777778 0.55555555555556 0.40330820090028 15.999 > 2 52 O 0.11111111111111 0.88888888888889 0.40330820090028 15.999 > 2 53 O 0.44444444444444 0.88888888888889 0.40330820090028 15.999 > 2 54 O 0.77777777777778 0.88888888888889 0.40330820090028 15.999 > 2 *55 Na 0.22222222222222 0.11111111111111 0.83333333333333 22.990 > 3 56 Na 0.55555555555556 0.11111111111111 0.83333333333333 22.990 > 3 57 Na 0.88888888888889 0.11111111111111 0.83333333333333 22.990 > 3 58 Na 0.22222222222222 0.44444444444444 0.83333333333333 22.990 > 3 59 Na 0.55555555555556 0.44444444444444 0.83333333333333 22.990 > 3 60 Na 0.88888888888889 0.44444444444444 0.83333333333333 22.990 > 3 61 Na 0.22222222222222 0.77777777777778 0.83333333333333 22.990 > 3 62 Na 0.55555555555556 0.77777777777778 0.83333333333333 22.990 > 3 63 Na 0.88888888888889 0.77777777777778 0.83333333333333 22.990 > 3 64 Na 0.11111111111111 0.22222222222222 0.16666666666667 22.990 > 3 65 Na 0.44444444444444 0.22222222222222 0.16666666666667 22.990 > 3 66 Na 0.77777777777778 0.22222222222222 0.16666666666667 22.990 > 3 67 Na 0.11111111111111 0.55555555555556 0.16666666666667 22.990 > 3 68 Na 0.44444444444444 0.55555555555556 0.16666666666667 22.990 > 3 69 Na 0.77777777777778 0.55555555555556 0.16666666666667 22.990 > 3 70 Na 0.11111111111111 0.88888888888889 0.16666666666667 22.990 > 3 71 Na 0.44444444444444 0.88888888888889 0.16666666666667 22.990 > 3 72 Na 0.77777777777778 0.88888888888889 0.16666666666667 22.990 > 3 73 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 3 74 Na 0.33333333333333 0.00000000000000 0.50000000000000 22.990 > 3 75 Na 0.66666666666667 0.00000000000000 0.50000000000000 22.990 > 3 76 Na 0.00000000000000 0.33333333333333 0.50000000000000 22.990 > 3 77 Na 0.33333333333333 0.33333333333333 0.50000000000000 22.990 > 3 78 Na 0.66666666666667 0.33333333333333 0.50000000000000 22.990 > 3 79 Na 0.00000000000000 0.66666666666667 0.50000000000000 22.990 > 3 80 Na 0.33333333333333 0.66666666666667 0.50000000000000 22.990 > 3 81 Na 0.66666666666667 0.66666666666667 0.50000000000000 22.990 > 3 *82 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 4 83 Er 0.33333333333333 0.00000000000000 0.00000000000000 167.259 > 4 84 Er 0.66666666666667 0.00000000000000 0.00000000000000 167.259 > 4 85 Er 0.00000000000000 0.33333333333333 0.00000000000000 167.259 > 4 86 Er 0.33333333333333 0.33333333333333 0.00000000000000 167.259 > 4 87 Er 0.66666666666667 0.33333333333333 0.00000000000000 167.259 > 4 88 Er 0.00000000000000 0.66666666666667 0.00000000000000 167.259 > 4 89 Er 0.33333333333333 0.66666666666667 0.00000000000000 167.259 > 4 90 Er 0.66666666666667 0.66666666666667 0.00000000000000 167.259 > 4 91 Er 0.22222222222222 0.11111111111111 0.33333333333333 167.259 > 4 92 Er 0.55555555555556 0.11111111111111 0.33333333333333 167.259 > 4 93 Er 0.88888888888889 0.11111111111111 0.33333333333333 167.259 > 4 94 Er 0.22222222222222 0.44444444444444 0.33333333333333 167.259 > 4 95 Er 0.55555555555556 0.44444444444444 0.33333333333333 167.259 > 4 96 Er 0.88888888888889 0.44444444444444 0.33333333333333 167.259 > 4 97 Er 0.22222222222222 0.77777777777778 0.33333333333333 167.259 > 4 98 Er 0.55555555555556 0.77777777777778 0.33333333333333 167.259 > 4 99 Er 0.88888888888889 0.77777777777778 0.33333333333333 167.259 > 4 100 Er 0.11111111111111 0.22222222222222 0.66666666666667 167.259 > 4 101 Er 0.44444444444444 0.22222222222222 0.66666666666667 167.259 > 4 102 Er 0.77777777777778 0.22222222222222 0.66666666666667 167.259 > 4 103 Er 0.11111111111111 0.55555555555556 0.66666666666667 167.259 > 4 104 Er 0.44444444444444 0.55555555555556 0.66666666666667 167.259 > 4 105 Er 0.77777777777778 0.55555555555556 0.66666666666667 167.259 > 4 106 Er 0.11111111111111 0.88888888888889 0.66666666666667 167.259 > 4 107 Er 0.44444444444444 0.88888888888889 0.66666666666667 167.259 > 4 108 Er 0.77777777777778 0.88888888888889 0.66666666666667 167.259 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.8875931 0.0000000 0.0000000 0.0000000 3.8875931 0.0000000 0.0000000 0.0000000 3.0729146-------------------------- Born effective charges -------------------------- 1 O -2.5662821 0.0000000 0.0000000 0.0000000 -2.5662821 0.0000000 0.0000000 0.0000000 -1.7898146 2 O -2.5662821 0.0000000 0.0000000 0.0000000 -2.5662821 0.0000000 0.0000000 0.0000000 -1.7898146 3 Na 0.9833251 0.0000000 0.0000000 0.0000000 0.9833251 0.0000000 0.0000000 0.0000000 1.3575997 4 Er 4.1492390 0.0000000 0.0000000 0.0000000 4.1492390 0.0000000 0.0000000 0.0000000 2.2220295----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 192Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: True-----Solver_atoms: 1 -- 108 / 108Time (Solver_compr_matrix_reshape): 0.006Solver_block: 80 / 80 - Time: 0.127Solver: 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 (xx) 0.00000000 (xx) Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 192Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 23:53:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:53:52]-------------------------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 1.673666244103714 0.966291656566867 5.490440579999994 b -1.673666244103711 0.966291656566867 5.490440579999994 c 0.000000000000002 -1.932583313133737 5.490440579999994Atomic positions (fractional): 1 O 0.26335846576638 0.26335846576639 0.26335846576638 15.999 2 O 0.73664153423362 0.73664153423362 0.73664153423362 15.999 3 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 4 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259-------------------------------- supercell ---------------------------------Lattice vectors: a 10.041997464622275 0.000000000000000 0.000000000000000 b -5.020998732311138 8.696624909101812 0.000000000000000 c 0.000000000000000 0.000000000000000 16.471321740000000Atomic positions (fractional): 1 O 0.11111111111111 0.22222222222222 0.93002513243305 15.999 > 1 2 O 0.44444444444444 0.22222222222222 0.93002513243305 15.999 > 1 3 O 0.77777777777778 0.22222222222222 0.93002513243305 15.999 > 1 4 O 0.11111111111111 0.55555555555556 0.93002513243305 15.999 > 1 5 O 0.44444444444444 0.55555555555556 0.93002513243305 15.999 > 1 6 O 0.77777777777778 0.55555555555556 0.93002513243305 15.999 > 1 7 O 0.11111111111111 0.88888888888889 0.93002513243305 15.999 > 1 8 O 0.44444444444444 0.88888888888889 0.93002513243305 15.999 > 1 9 O 0.77777777777778 0.88888888888889 0.93002513243305 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.73664153423362 15.999 > 10 11 O 0.33333333333333 0.00000000000000 0.73664153423362 15.999 > 10 12 O 0.66666666666667 0.00000000000000 0.73664153423362 15.999 > 10 13 O 0.00000000000000 0.33333333333333 0.73664153423362 15.999 > 10 14 O 0.33333333333333 0.33333333333333 0.73664153423362 15.999 > 10 15 O 0.66666666666667 0.33333333333333 0.73664153423362 15.999 > 10 16 O 0.00000000000000 0.66666666666667 0.73664153423362 15.999 > 10 17 O 0.33333333333333 0.66666666666667 0.73664153423362 15.999 > 10 18 O 0.66666666666667 0.66666666666667 0.73664153423362 15.999 > 10 19 O 0.00000000000000 0.00000000000000 0.26335846576638 15.999 > 1 20 O 0.33333333333333 0.00000000000000 0.26335846576638 15.999 > 1 21 O 0.66666666666667 0.00000000000000 0.26335846576638 15.999 > 1 22 O 0.00000000000000 0.33333333333333 0.26335846576638 15.999 > 1 23 O 0.33333333333333 0.33333333333333 0.26335846576638 15.999 > 1 24 O 0.66666666666667 0.33333333333333 0.26335846576638 15.999 > 1 25 O 0.00000000000000 0.66666666666667 0.26335846576638 15.999 > 1 26 O 0.33333333333333 0.66666666666667 0.26335846576638 15.999 > 1 27 O 0.66666666666667 0.66666666666667 0.26335846576638 15.999 > 1 28 O 0.22222222222222 0.11111111111111 0.06997486756695 15.999 > 10 29 O 0.55555555555556 0.11111111111111 0.06997486756695 15.999 > 10 30 O 0.88888888888889 0.11111111111111 0.06997486756695 15.999 > 10 31 O 0.22222222222222 0.44444444444444 0.06997486756695 15.999 > 10 32 O 0.55555555555556 0.44444444444444 0.06997486756695 15.999 > 10 33 O 0.88888888888889 0.44444444444444 0.06997486756695 15.999 > 10 34 O 0.22222222222222 0.77777777777778 0.06997486756695 15.999 > 10 35 O 0.55555555555556 0.77777777777778 0.06997486756695 15.999 > 10 36 O 0.88888888888889 0.77777777777778 0.06997486756695 15.999 > 10 37 O 0.22222222222222 0.11111111111111 0.59669179909972 15.999 > 1 38 O 0.55555555555556 0.11111111111111 0.59669179909972 15.999 > 1 39 O 0.88888888888889 0.11111111111111 0.59669179909972 15.999 > 1 40 O 0.22222222222222 0.44444444444444 0.59669179909972 15.999 > 1 41 O 0.55555555555556 0.44444444444444 0.59669179909972 15.999 > 1 42 O 0.88888888888889 0.44444444444444 0.59669179909972 15.999 > 1 43 O 0.22222222222222 0.77777777777778 0.59669179909972 15.999 > 1 44 O 0.55555555555556 0.77777777777778 0.59669179909972 15.999 > 1 45 O 0.88888888888889 0.77777777777778 0.59669179909972 15.999 > 1 46 O 0.11111111111111 0.22222222222222 0.40330820090028 15.999 > 10 47 O 0.44444444444444 0.22222222222222 0.40330820090028 15.999 > 10 48 O 0.77777777777778 0.22222222222222 0.40330820090028 15.999 > 10 49 O 0.11111111111111 0.55555555555556 0.40330820090028 15.999 > 10 50 O 0.44444444444444 0.55555555555556 0.40330820090028 15.999 > 10 51 O 0.77777777777778 0.55555555555556 0.40330820090028 15.999 > 10 52 O 0.11111111111111 0.88888888888889 0.40330820090028 15.999 > 10 53 O 0.44444444444444 0.88888888888889 0.40330820090028 15.999 > 10 54 O 0.77777777777778 0.88888888888889 0.40330820090028 15.999 > 10 55 Na 0.22222222222222 0.11111111111111 0.83333333333333 22.990 > 55 56 Na 0.55555555555556 0.11111111111111 0.83333333333333 22.990 > 55 57 Na 0.88888888888889 0.11111111111111 0.83333333333333 22.990 > 55 58 Na 0.22222222222222 0.44444444444444 0.83333333333333 22.990 > 55 59 Na 0.55555555555556 0.44444444444444 0.83333333333333 22.990 > 55 60 Na 0.88888888888889 0.44444444444444 0.83333333333333 22.990 > 55 61 Na 0.22222222222222 0.77777777777778 0.83333333333333 22.990 > 55 62 Na 0.55555555555556 0.77777777777778 0.83333333333333 22.990 > 55 63 Na 0.88888888888889 0.77777777777778 0.83333333333333 22.990 > 55 64 Na 0.11111111111111 0.22222222222222 0.16666666666667 22.990 > 55 65 Na 0.44444444444444 0.22222222222222 0.16666666666667 22.990 > 55 66 Na 0.77777777777778 0.22222222222222 0.16666666666667 22.990 > 55 67 Na 0.11111111111111 0.55555555555556 0.16666666666667 22.990 > 55 68 Na 0.44444444444444 0.55555555555556 0.16666666666667 22.990 > 55 69 Na 0.77777777777778 0.55555555555556 0.16666666666667 22.990 > 55 70 Na 0.11111111111111 0.88888888888889 0.16666666666667 22.990 > 55 71 Na 0.44444444444444 0.88888888888889 0.16666666666667 22.990 > 55 72 Na 0.77777777777778 0.88888888888889 0.16666666666667 22.990 > 55 73 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 55 74 Na 0.33333333333333 0.00000000000000 0.50000000000000 22.990 > 55 75 Na 0.66666666666667 0.00000000000000 0.50000000000000 22.990 > 55 76 Na 0.00000000000000 0.33333333333333 0.50000000000000 22.990 > 55 77 Na 0.33333333333333 0.33333333333333 0.50000000000000 22.990 > 55 78 Na 0.66666666666667 0.33333333333333 0.50000000000000 22.990 > 55 79 Na 0.00000000000000 0.66666666666667 0.50000000000000 22.990 > 55 80 Na 0.33333333333333 0.66666666666667 0.50000000000000 22.990 > 55 81 Na 0.66666666666667 0.66666666666667 0.50000000000000 22.990 > 55 82 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 82 83 Er 0.33333333333333 0.00000000000000 0.00000000000000 167.259 > 82 84 Er 0.66666666666667 0.00000000000000 0.00000000000000 167.259 > 82 85 Er 0.00000000000000 0.33333333333333 0.00000000000000 167.259 > 82 86 Er 0.33333333333333 0.33333333333333 0.00000000000000 167.259 > 82 87 Er 0.66666666666667 0.33333333333333 0.00000000000000 167.259 > 82 88 Er 0.00000000000000 0.66666666666667 0.00000000000000 167.259 > 82 89 Er 0.33333333333333 0.66666666666667 0.00000000000000 167.259 > 82 90 Er 0.66666666666667 0.66666666666667 0.00000000000000 167.259 > 82 91 Er 0.22222222222222 0.11111111111111 0.33333333333333 167.259 > 82 92 Er 0.55555555555556 0.11111111111111 0.33333333333333 167.259 > 82 93 Er 0.88888888888889 0.11111111111111 0.33333333333333 167.259 > 82 94 Er 0.22222222222222 0.44444444444444 0.33333333333333 167.259 > 82 95 Er 0.55555555555556 0.44444444444444 0.33333333333333 167.259 > 82 96 Er 0.88888888888889 0.44444444444444 0.33333333333333 167.259 > 82 97 Er 0.22222222222222 0.77777777777778 0.33333333333333 167.259 > 82 98 Er 0.55555555555556 0.77777777777778 0.33333333333333 167.259 > 82 99 Er 0.88888888888889 0.77777777777778 0.33333333333333 167.259 > 82 100 Er 0.11111111111111 0.22222222222222 0.66666666666667 167.259 > 82 101 Er 0.44444444444444 0.22222222222222 0.66666666666667 167.259 > 82 102 Er 0.77777777777778 0.22222222222222 0.66666666666667 167.259 > 82 103 Er 0.11111111111111 0.55555555555556 0.66666666666667 167.259 > 82 104 Er 0.44444444444444 0.55555555555556 0.66666666666667 167.259 > 82 105 Er 0.77777777777778 0.55555555555556 0.66666666666667 167.259 > 82 106 Er 0.11111111111111 0.88888888888889 0.66666666666667 167.259 > 82 107 Er 0.44444444444444 0.88888888888889 0.66666666666667 167.259 > 82 108 Er 0.77777777777778 0.88888888888889 0.66666666666667 167.259 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.8875931 0.0000000 0.0000000 0.0000000 3.8875931 0.0000000 0.0000000 0.0000000 3.0729146-------------------------- Born effective charges -------------------------- 1 O -2.5662821 0.0000000 0.0000000 0.0000000 -2.5662821 0.0000000 0.0000000 0.0000000 -1.7898146 2 O -2.5662821 0.0000000 0.0000000 0.0000000 -2.5662821 0.0000000 0.0000000 0.0000000 -1.7898146 3 Na 0.9833251 0.0000000 0.0000000 0.0000000 0.9833251 0.0000000 0.0000000 0.0000000 1.3575997 4 Er 4.1492390 0.0000000 0.0000000 0.0000000 4.1492390 0.0000000 0.0000000 0.0000000 2.2220295----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 55, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 82, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:53:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:53:57]-------------------------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 1.673666244103714 0.966291656566867 5.490440579999994 b -1.673666244103711 0.966291656566867 5.490440579999994 c 0.000000000000002 -1.932583313133737 5.490440579999994Atomic positions (fractional): 1 O 0.26335846576638 0.26335846576639 0.26335846576638 15.999 2 O 0.73664153423362 0.73664153423362 0.73664153423362 15.999 3 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 4 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259-------------------------------- supercell ---------------------------------Lattice vectors: a 10.041997464622275 0.000000000000000 0.000000000000000 b -5.020998732311138 8.696624909101812 0.000000000000000 c 0.000000000000000 0.000000000000000 16.471321740000000Atomic positions (fractional): 1 O 0.11111111111111 0.22222222222222 0.93002513243305 15.999 > 1 2 O 0.44444444444444 0.22222222222222 0.93002513243305 15.999 > 1 3 O 0.77777777777778 0.22222222222222 0.93002513243305 15.999 > 1 4 O 0.11111111111111 0.55555555555556 0.93002513243305 15.999 > 1 5 O 0.44444444444444 0.55555555555556 0.93002513243305 15.999 > 1 6 O 0.77777777777778 0.55555555555556 0.93002513243305 15.999 > 1 7 O 0.11111111111111 0.88888888888889 0.93002513243305 15.999 > 1 8 O 0.44444444444444 0.88888888888889 0.93002513243305 15.999 > 1 9 O 0.77777777777778 0.88888888888889 0.93002513243305 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.73664153423362 15.999 > 10 11 O 0.33333333333333 0.00000000000000 0.73664153423362 15.999 > 10 12 O 0.66666666666667 0.00000000000000 0.73664153423362 15.999 > 10 13 O 0.00000000000000 0.33333333333333 0.73664153423362 15.999 > 10 14 O 0.33333333333333 0.33333333333333 0.73664153423362 15.999 > 10 15 O 0.66666666666667 0.33333333333333 0.73664153423362 15.999 > 10 16 O 0.00000000000000 0.66666666666667 0.73664153423362 15.999 > 10 17 O 0.33333333333333 0.66666666666667 0.73664153423362 15.999 > 10 18 O 0.66666666666667 0.66666666666667 0.73664153423362 15.999 > 10 19 O 0.00000000000000 0.00000000000000 0.26335846576638 15.999 > 1 20 O 0.33333333333333 0.00000000000000 0.26335846576638 15.999 > 1 21 O 0.66666666666667 0.00000000000000 0.26335846576638 15.999 > 1 22 O 0.00000000000000 0.33333333333333 0.26335846576638 15.999 > 1 23 O 0.33333333333333 0.33333333333333 0.26335846576638 15.999 > 1 24 O 0.66666666666667 0.33333333333333 0.26335846576638 15.999 > 1 25 O 0.00000000000000 0.66666666666667 0.26335846576638 15.999 > 1 26 O 0.33333333333333 0.66666666666667 0.26335846576638 15.999 > 1 27 O 0.66666666666667 0.66666666666667 0.26335846576638 15.999 > 1 28 O 0.22222222222222 0.11111111111111 0.06997486756695 15.999 > 10 29 O 0.55555555555556 0.11111111111111 0.06997486756695 15.999 > 10 30 O 0.88888888888889 0.11111111111111 0.06997486756695 15.999 > 10 31 O 0.22222222222222 0.44444444444444 0.06997486756695 15.999 > 10 32 O 0.55555555555556 0.44444444444444 0.06997486756695 15.999 > 10 33 O 0.88888888888889 0.44444444444444 0.06997486756695 15.999 > 10 34 O 0.22222222222222 0.77777777777778 0.06997486756695 15.999 > 10 35 O 0.55555555555556 0.77777777777778 0.06997486756695 15.999 > 10 36 O 0.88888888888889 0.77777777777778 0.06997486756695 15.999 > 10 37 O 0.22222222222222 0.11111111111111 0.59669179909972 15.999 > 1 38 O 0.55555555555556 0.11111111111111 0.59669179909972 15.999 > 1 39 O 0.88888888888889 0.11111111111111 0.59669179909972 15.999 > 1 40 O 0.22222222222222 0.44444444444444 0.59669179909972 15.999 > 1 41 O 0.55555555555556 0.44444444444444 0.59669179909972 15.999 > 1 42 O 0.88888888888889 0.44444444444444 0.59669179909972 15.999 > 1 43 O 0.22222222222222 0.77777777777778 0.59669179909972 15.999 > 1 44 O 0.55555555555556 0.77777777777778 0.59669179909972 15.999 > 1 45 O 0.88888888888889 0.77777777777778 0.59669179909972 15.999 > 1 46 O 0.11111111111111 0.22222222222222 0.40330820090028 15.999 > 10 47 O 0.44444444444444 0.22222222222222 0.40330820090028 15.999 > 10 48 O 0.77777777777778 0.22222222222222 0.40330820090028 15.999 > 10 49 O 0.11111111111111 0.55555555555556 0.40330820090028 15.999 > 10 50 O 0.44444444444444 0.55555555555556 0.40330820090028 15.999 > 10 51 O 0.77777777777778 0.55555555555556 0.40330820090028 15.999 > 10 52 O 0.11111111111111 0.88888888888889 0.40330820090028 15.999 > 10 53 O 0.44444444444444 0.88888888888889 0.40330820090028 15.999 > 10 54 O 0.77777777777778 0.88888888888889 0.40330820090028 15.999 > 10 55 Na 0.22222222222222 0.11111111111111 0.83333333333333 22.990 > 55 56 Na 0.55555555555556 0.11111111111111 0.83333333333333 22.990 > 55 57 Na 0.88888888888889 0.11111111111111 0.83333333333333 22.990 > 55 58 Na 0.22222222222222 0.44444444444444 0.83333333333333 22.990 > 55 59 Na 0.55555555555556 0.44444444444444 0.83333333333333 22.990 > 55 60 Na 0.88888888888889 0.44444444444444 0.83333333333333 22.990 > 55 61 Na 0.22222222222222 0.77777777777778 0.83333333333333 22.990 > 55 62 Na 0.55555555555556 0.77777777777778 0.83333333333333 22.990 > 55 63 Na 0.88888888888889 0.77777777777778 0.83333333333333 22.990 > 55 64 Na 0.11111111111111 0.22222222222222 0.16666666666667 22.990 > 55 65 Na 0.44444444444444 0.22222222222222 0.16666666666667 22.990 > 55 66 Na 0.77777777777778 0.22222222222222 0.16666666666667 22.990 > 55 67 Na 0.11111111111111 0.55555555555556 0.16666666666667 22.990 > 55 68 Na 0.44444444444444 0.55555555555556 0.16666666666667 22.990 > 55 69 Na 0.77777777777778 0.55555555555556 0.16666666666667 22.990 > 55 70 Na 0.11111111111111 0.88888888888889 0.16666666666667 22.990 > 55 71 Na 0.44444444444444 0.88888888888889 0.16666666666667 22.990 > 55 72 Na 0.77777777777778 0.88888888888889 0.16666666666667 22.990 > 55 73 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 55 74 Na 0.33333333333333 0.00000000000000 0.50000000000000 22.990 > 55 75 Na 0.66666666666667 0.00000000000000 0.50000000000000 22.990 > 55 76 Na 0.00000000000000 0.33333333333333 0.50000000000000 22.990 > 55 77 Na 0.33333333333333 0.33333333333333 0.50000000000000 22.990 > 55 78 Na 0.66666666666667 0.33333333333333 0.50000000000000 22.990 > 55 79 Na 0.00000000000000 0.66666666666667 0.50000000000000 22.990 > 55 80 Na 0.33333333333333 0.66666666666667 0.50000000000000 22.990 > 55 81 Na 0.66666666666667 0.66666666666667 0.50000000000000 22.990 > 55 82 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 82 83 Er 0.33333333333333 0.00000000000000 0.00000000000000 167.259 > 82 84 Er 0.66666666666667 0.00000000000000 0.00000000000000 167.259 > 82 85 Er 0.00000000000000 0.33333333333333 0.00000000000000 167.259 > 82 86 Er 0.33333333333333 0.33333333333333 0.00000000000000 167.259 > 82 87 Er 0.66666666666667 0.33333333333333 0.00000000000000 167.259 > 82 88 Er 0.00000000000000 0.66666666666667 0.00000000000000 167.259 > 82 89 Er 0.33333333333333 0.66666666666667 0.00000000000000 167.259 > 82 90 Er 0.66666666666667 0.66666666666667 0.00000000000000 167.259 > 82 91 Er 0.22222222222222 0.11111111111111 0.33333333333333 167.259 > 82 92 Er 0.55555555555556 0.11111111111111 0.33333333333333 167.259 > 82 93 Er 0.88888888888889 0.11111111111111 0.33333333333333 167.259 > 82 94 Er 0.22222222222222 0.44444444444444 0.33333333333333 167.259 > 82 95 Er 0.55555555555556 0.44444444444444 0.33333333333333 167.259 > 82 96 Er 0.88888888888889 0.44444444444444 0.33333333333333 167.259 > 82 97 Er 0.22222222222222 0.77777777777778 0.33333333333333 167.259 > 82 98 Er 0.55555555555556 0.77777777777778 0.33333333333333 167.259 > 82 99 Er 0.88888888888889 0.77777777777778 0.33333333333333 167.259 > 82 100 Er 0.11111111111111 0.22222222222222 0.66666666666667 167.259 > 82 101 Er 0.44444444444444 0.22222222222222 0.66666666666667 167.259 > 82 102 Er 0.77777777777778 0.22222222222222 0.66666666666667 167.259 > 82 103 Er 0.11111111111111 0.55555555555556 0.66666666666667 167.259 > 82 104 Er 0.44444444444444 0.55555555555556 0.66666666666667 167.259 > 82 105 Er 0.77777777777778 0.55555555555556 0.66666666666667 167.259 > 82 106 Er 0.11111111111111 0.88888888888889 0.66666666666667 167.259 > 82 107 Er 0.44444444444444 0.88888888888889 0.66666666666667 167.259 > 82 108 Er 0.77777777777778 0.88888888888889 0.66666666666667 167.259 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 3.8875931 0.0000000 0.0000000 0.0000000 3.8875931 0.0000000 0.0000000 0.0000000 3.0729146-------------------------- Born effective charges -------------------------- 1 O -2.5662821 0.0000000 0.0000000 0.0000000 -2.5662821 0.0000000 0.0000000 0.0000000 -1.7898146 2 O -2.5662821 0.0000000 0.0000000 0.0000000 -2.5662821 0.0000000 0.0000000 0.0000000 -1.7898146 3 Na 0.9833251 0.0000000 0.0000000 0.0000000 0.9833251 0.0000000 0.0000000 0.0000000 1.3575997 4 Er 4.1492390 0.0000000 0.0000000 0.0000000 4.1492390 0.0000000 0.0000000 0.0000000 2.2220295----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy)Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 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: 1.10, Number of G-points: 325, Lambda: 0.22Running 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 0.00e+00 7.23e-05 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 3.917 ( 0.000 0.000 0.000) 0.000 3.917 ( 0.000 0.000 0.000) 0.000 7.089 ( 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 10.779 ( 0.000 0.000 0.000) 0.000 11.536 ( 0.000 0.000 0.000) 0.000 11.536 ( 0.000 0.000 0.000) 0.000 14.677 ( 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.529 ( 22.382 12.922 10.670) 27.960 0.643 ( 27.666 15.973 7.719) 32.865 1.112 ( 50.080 28.914 -0.780) 57.833 3.933 ( 1.610 0.930 -0.912) 2.071 4.023 ( 7.801 4.504 0.309) 9.013 7.097 ( -0.427 -0.247 3.398) 3.434 8.024 ( 4.388 2.534 0.615) 5.104 10.522 ( -15.731 -9.082 -7.091) 19.500 11.508 ( -2.386 -1.378 -0.403) 2.785 11.714 ( 14.634 8.449 -13.498) 21.627 14.596 ( -7.214 -4.165 0.807) 8.369 16.394 ( 1.557 0.899 -17.494) 17.586======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.062 ( 22.635 13.068 9.681) 27.872 1.271 ( 26.588 15.350 7.309) 31.559 2.203 ( 48.544 28.027 -0.809) 56.060 3.980 ( 3.027 1.747 -1.688) 3.881 4.268 ( 13.692 7.905 0.866) 15.833 7.095 ( -0.529 -0.305 0.964) 1.141 8.171 ( 8.519 4.919 1.118) 9.901 10.117 ( -18.604 -10.741 1.323) 21.523 11.433 ( -4.029 -2.326 -0.747) 4.711 11.992 ( 13.809 7.973 -14.703) 21.689 14.377 ( -12.770 -7.373 3.154) 15.080 16.343 ( -2.513 -1.451 -8.769) 9.236======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.591 ( 22.151 12.789 8.430) 26.932 1.862 ( 24.564 14.182 6.581) 29.118 3.244 ( 45.468 26.251 -0.990) 52.511 4.053 ( 4.060 2.344 -2.229) 5.191 4.615 ( 16.889 9.751 1.350) 19.548 7.073 ( -1.706 -0.985 -0.734) 2.102 8.403 ( 11.863 6.849 1.443) 13.774 9.747 ( -14.823 -8.558 3.092) 17.393 11.335 ( -4.311 -2.489 -0.975) 5.073 12.201 ( 8.901 5.139 -13.908) 17.293 14.070 ( -16.254 -9.384 7.445) 20.191 16.218 ( -5.992 -3.459 -8.903) 11.276======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.089 ( 20.204 11.665 7.123) 24.392 2.394 ( 21.510 12.419 5.525) 25.445 4.141 ( 4.552 2.628 -2.486) 5.814 4.193 ( 40.307 23.271 -1.512) 46.567 5.005 ( 17.576 10.147 1.735) 20.369 7.008 ( -3.845 -2.220 -2.199) 4.954 8.694 ( 13.595 7.849 1.591) 15.779 9.508 ( -7.442 -4.297 3.823) 9.406 11.249 ( -2.915 -1.683 -1.052) 3.527 12.271 ( 1.308 0.755 -14.564) 14.642 13.723 ( -18.018 -10.403 13.358) 24.724 16.032 ( -7.183 -4.147 -11.137) 13.886======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.521 ( 16.659 9.618 5.814) 20.096 2.845 ( 17.604 10.164 4.227) 20.762 4.233 ( 4.432 2.559 -2.444) 5.672 5.001 ( 32.885 18.986 -2.256) 38.039 5.390 ( 16.457 9.502 1.689) 19.078 6.888 ( -6.072 -3.506 -2.793) 7.547 8.998 ( 12.994 7.502 1.588) 15.088 9.456 ( 1.665 0.962 3.831) 4.287 11.210 ( -0.090 -0.052 -0.979) 0.985 12.149 ( -7.364 -4.251 -16.806) 18.835 13.360 ( -19.960 -11.524 17.968) 29.224 15.858 ( -4.295 -2.480 -11.542) 12.563======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.858 ( 12.101 6.987 4.486) 14.676 3.198 ( 13.230 7.638 2.885) 15.546 4.317 ( 3.752 2.166 -2.121) 4.824 5.618 ( 22.899 13.221 -0.892) 26.457 5.740 ( 15.194 8.772 -1.102) 17.579 6.732 ( -6.985 -4.033 -1.971) 8.303 9.263 ( 10.196 5.887 1.429) 11.860 9.600 ( 9.971 5.757 3.053) 11.912 11.240 ( 2.978 1.719 -0.790) 3.528 11.861 ( -12.457 -7.192 -17.535) 22.680 12.940 ( -23.723 -13.697 17.254) 32.374 15.786 ( 0.826 0.477 -8.427) 8.481======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.086 ( 7.468 4.312 3.089) 9.160 3.449 ( 8.750 5.052 1.703) 10.246 4.383 ( 2.672 1.543 -1.559) 3.456 5.976 ( 10.205 5.892 4.261) 12.530 6.078 ( 15.427 8.907 -8.127) 19.580 6.582 ( -5.955 -3.438 0.330) 6.884 9.452 ( 6.471 3.736 1.088) 7.551 9.895 ( 15.246 8.802 1.964) 17.713 11.324 ( 4.400 2.540 -0.531) 5.108 11.527 ( -11.556 -6.672 -15.761) 20.651 12.433 ( -26.092 -15.064 13.326) 32.944 15.822 ( 3.759 2.170 -4.213) 6.049======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.214 ( 3.438 1.985 1.584) 4.274 3.598 ( 4.339 2.505 0.766) 5.068 4.424 ( 1.377 0.795 -0.824) 1.790 6.150 ( 4.749 2.742 1.539) 5.695 6.314 ( 8.033 4.638 -6.942) 11.585 6.484 ( -3.313 -1.913 3.306) 5.056 9.559 ( 3.018 1.743 0.588) 3.535 10.245 ( 14.336 8.277 1.152) 16.594 11.289 ( -4.712 -2.720 -11.928) 13.110 11.411 ( 3.140 1.813 -0.259) 3.635 11.917 ( -22.631 -13.066 9.419) 27.777 15.894 ( 3.009 1.737 -1.420) 3.754======================= 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 0.00e+00 7.23e-05 Number of triplets: 775Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.254 ( 0.000 0.000 0.000) 0.000 3.647 ( 0.000 0.000 0.000) 0.000 4.437 ( 0.000 0.000 0.000) 0.000 6.202 ( 0.000 0.000 -0.000) 0.000 6.391 ( 0.000 0.000 0.000) 0.000 6.455 ( 0.000 0.000 -0.000) 0.000 9.593 ( 0.000 0.000 -0.000) 0.000 10.432 ( 0.000 0.000 -0.000) 0.000 11.241 ( 0.000 0.000 -0.000) 0.000 11.447 ( 0.000 0.000 0.000) 0.000 11.627 ( 0.000 0.000 0.000) 0.000 15.927 ( 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.552 ( -0.000 23.330 14.778) 27.616 0.606 ( -0.000 31.131 0.612) 31.137 1.163 ( -0.000 57.030 8.954) 57.728 3.938 ( -0.000 2.198 0.173) 2.205 4.015 ( -0.000 8.778 -1.332) 8.879 7.110 ( -0.000 -2.366 5.727) 6.197 8.020 ( -0.000 4.839 -0.229) 4.844 10.447 ( 0.000 -11.422 -21.068) 23.965 11.511 ( 0.000 -2.605 0.121) 2.607 11.707 ( -0.000 18.841 -13.631) 23.255 14.598 ( 0.000 -8.452 1.168) 8.532 16.301 ( 0.000 9.750 -31.898) 33.355======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.926 ( 13.579 18.977 13.509) 26.963 1.119 ( 19.873 25.829 3.477) 32.774 1.946 ( 24.999 49.654 4.858) 55.804 3.971 ( 0.912 3.619 -0.794) 3.816 4.180 ( 7.817 11.579 -0.449) 13.978 7.102 ( -0.392 -1.105 2.006) 2.324 8.121 ( 4.978 7.240 0.418) 8.796 10.200 ( -7.526 -18.097 -4.456) 20.100 11.448 ( -2.764 -3.693 -0.471) 4.637 11.890 ( 5.815 17.351 -16.875) 24.893 14.453 ( -6.146 -11.796 2.855) 13.604 16.305 ( 1.271 1.373 -15.977) 16.086======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.404 ( 18.403 15.184 11.236) 26.371 1.709 ( 20.327 23.659 4.666) 31.539 2.889 ( 33.665 40.668 1.752) 52.823 4.034 ( 2.054 5.078 -1.655) 5.723 4.473 ( 12.968 12.695 0.560) 18.156 7.084 ( -1.089 -1.208 -0.163) 1.634 8.320 ( 8.604 9.821 1.162) 13.108 9.869 ( -11.125 -14.977 1.201) 18.695 11.360 ( -2.983 -3.982 -0.882) 5.053 12.080 ( 6.879 10.796 -17.112) 21.370 14.204 ( -10.416 -13.851 6.470) 18.499 16.236 ( -3.512 -2.473 -10.962) 11.774======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.886 ( 19.401 12.173 8.888) 24.568 2.265 ( 18.084 22.199 4.382) 28.966 3.817 ( 34.503 31.958 -0.704) 47.035 4.126 ( 3.032 7.449 -1.532) 8.187 4.838 ( 15.640 12.264 1.385) 19.923 7.034 ( -2.757 -2.188 -1.786) 3.947 8.594 ( 10.847 11.903 1.702) 16.194 9.593 ( -8.158 -9.034 2.897) 12.512 11.276 ( -2.783 -2.432 -1.019) 3.834 12.184 ( 3.780 3.085 -16.966) 17.654 13.902 ( -12.800 -14.829 11.808) 22.872 16.074 ( -7.125 -4.025 -11.433) 14.060======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.327 ( 18.123 8.853 6.782) 21.280 2.755 ( 14.429 20.533 3.378) 25.322 4.211 ( 3.286 6.793 -3.086) 8.153 4.670 ( 30.931 26.249 -0.979) 40.580 5.221 ( 16.072 10.831 1.983) 19.482 6.936 ( -4.869 -3.513 -2.585) 6.537 8.904 ( 11.031 12.742 2.118) 16.987 9.467 ( -1.472 -2.059 3.200) 4.079 11.224 ( -1.522 0.260 -1.006) 1.843 12.131 ( -2.736 -4.064 -18.216) 18.863 13.579 ( -14.663 -15.473 17.066) 27.308 15.875 ( -6.475 -3.646 -12.320) 14.388======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.693 ( 15.191 5.370 4.816) 16.816 3.154 ( 9.890 18.392 2.141) 20.993 4.313 ( 1.955 7.507 -2.533) 8.161 5.350 ( 25.397 18.486 -2.892) 31.545 5.581 ( 14.751 9.118 1.832) 17.438 6.795 ( -6.258 -4.289 -1.836) 7.805 9.201 ( 9.051 12.227 2.407) 15.402 9.528 ( 6.000 4.551 2.362) 7.893 11.227 ( 0.517 2.561 -0.883) 2.758 11.906 ( -8.748 -8.022 -18.993) 22.397 13.212 ( -18.879 -16.645 18.056) 30.976 15.741 ( -1.049 -2.106 -10.229) 10.496======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.963 ( 11.330 2.254 2.856) 11.900 3.448 ( 5.162 15.718 1.061) 16.577 4.400 ( 0.495 7.924 -1.874) 8.158 5.833 ( 16.854 8.972 -0.429) 19.098 5.895 ( 13.380 9.230 -3.455) 16.618 6.649 ( -6.002 -3.965 0.942) 7.255 9.447 ( 5.233 12.245 2.177) 13.493 9.751 ( 12.178 8.256 1.113) 14.755 11.261 ( 1.197 -0.579 -1.786) 2.226 11.615 ( -9.301 -4.069 -16.480) 19.356 12.748 ( -23.852 -17.042 14.694) 32.791 15.732 ( 4.651 -1.466 -5.858) 7.622======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.133 ( 7.274 -0.235 0.826) 7.325 3.635 ( 0.799 12.802 0.403) 12.833 4.466 ( -1.263 7.994 -1.066) 8.163 6.083 ( 7.699 3.226 2.716) 8.778 6.168 ( 11.300 6.433 -11.022) 17.046 6.542 ( -4.040 -2.878 6.346) 8.054 9.617 ( -0.078 12.769 1.526) 12.860 10.075 ( 15.715 8.892 0.062) 18.056 11.165 ( -1.645 -12.123 -8.182) 14.718 11.512 ( -2.440 8.879 -6.651) 11.359 12.223 ( -25.011 -14.538 10.997) 30.949 15.800 ( 6.582 -2.568 -2.344) 7.444======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.209 ( 3.526 -2.305 -1.193) 4.378 3.725 ( -3.238 10.155 0.140) 10.659 4.503 ( -3.087 7.594 -0.225) 8.200 6.190 ( 2.218 0.828 0.814) 2.503 6.305 ( 5.936 2.163 -13.867) 15.238 6.503 ( -2.036 -2.377 12.788) 13.165 9.700 ( -4.933 12.398 0.752) 13.364 10.375 ( 9.337 4.664 -0.479) 10.448 11.047 ( 5.803 -11.136 -6.166) 13.990 11.557 ( -0.664 8.189 -4.054) 9.162 11.779 ( -18.348 -5.187 8.239) 20.771 15.861 ( 5.008 -4.609 -0.550) 6.828======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.200 ( 0.077 -4.388 -2.987) 5.309 3.724 ( -7.413 8.025 -0.074) 10.925 4.507 ( -4.718 6.669 0.601) 8.191 6.179 ( -2.457 -2.527 -2.070) 4.088 6.342 ( 1.721 0.391 -9.026) 9.197 6.487 ( -2.130 -2.646 12.691) 13.138 9.695 ( -8.658 10.047 -0.075) 13.263 10.372 ( -8.906 -5.261 -1.087) 10.400 11.092 ( 11.045 -9.428 2.518) 14.738 11.607 ( -7.341 4.656 5.732) 10.413 11.699 ( 11.364 12.614 -7.393) 18.518 15.867 ( 2.087 -6.315 0.625) 6.680======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.106 ( -3.543 -6.707 -4.383) 8.760 3.630 ( -12.043 6.126 -0.608) 13.525 4.478 ( -6.011 5.339 1.391) 8.159 6.046 ( -7.000 -5.955 -5.194) 10.557 6.250 ( -9.987 -5.397 4.880) 12.357 6.522 ( 4.285 1.594 3.321) 5.651 9.605 ( -11.228 5.830 -0.770) 12.675 10.069 ( -16.160 -8.288 -1.226) 18.202 11.229 ( 10.177 -5.313 4.435) 12.308 11.591 ( -3.149 8.122 8.963) 12.499 12.107 ( 23.597 13.382 -11.737) 29.557 15.825 ( 0.156 -6.381 2.605) 6.894======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.921 ( -7.767 -9.025 -5.363) 13.059 3.435 ( -17.015 3.933 -1.533) 17.531 4.420 ( -6.924 3.841 2.048) 8.179 5.798 ( -12.674 -8.847 -5.750) 16.491 5.958 ( -18.542 -8.794 7.062) 21.702 6.655 ( 7.161 3.196 2.264) 8.162 9.429 ( -13.247 0.802 -1.352) 13.340 9.737 ( -14.240 -5.457 -1.720) 15.346 11.272 ( -1.200 -1.335 0.494) 1.861 11.780 ( 10.654 6.645 15.659) 20.072 12.592 ( 25.117 11.155 -15.787) 31.695 15.792 ( 0.934 -3.968 5.905) 7.175======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.638 ( -12.553 -10.807 -6.001) 17.617 3.130 ( -21.866 1.304 -2.622) 22.062 4.338 ( -7.408 2.394 2.443) 8.160 5.364 ( -26.921 -12.884 -0.562) 29.851 5.576 ( -17.502 -8.829 1.214) 19.640 6.818 ( 7.315 3.108 2.582) 8.357 9.181 ( -14.896 -2.306 -1.569) 15.155 9.503 ( -8.029 -2.060 -2.514) 8.661 11.233 ( -2.172 0.685 0.310) 2.299 12.083 ( 11.364 3.798 15.635) 19.698 13.031 ( 23.392 8.071 -17.296) 30.190 15.840 ( 4.217 0.089 8.961) 9.904======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.260 ( -17.324 -11.524 -6.289) 21.736 2.720 ( -26.096 -1.284 -3.543) 26.367 4.240 ( -7.405 1.070 2.602) 7.922 4.681 ( -38.443 -14.819 1.111) 41.215 5.204 ( -17.629 -8.437 -1.228) 19.583 6.960 ( 5.456 2.118 2.180) 6.245 8.886 ( -16.413 -3.354 -1.381) 16.809 9.435 ( 1.925 1.027 -2.981) 3.694 11.232 ( 0.777 1.331 0.555) 1.638 12.287 ( 4.565 0.099 12.069) 12.904 13.422 ( 22.153 6.382 -13.414) 26.673 15.985 ( 7.121 3.004 9.209) 12.022======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.809 ( -21.301 -10.735 -6.010) 24.599 2.223 ( -29.437 -3.072 -3.923) 29.856 3.828 ( -46.308 -14.630 1.638) 48.592 4.142 ( -6.903 0.521 1.544) 7.093 4.825 ( -18.346 -7.044 -1.243) 19.692 7.049 ( 2.843 0.918 1.085) 3.179 8.579 ( -15.693 -3.295 -1.116) 16.074 9.565 ( 11.786 3.535 -2.542) 12.565 11.284 ( 3.625 1.057 0.641) 3.830 12.316 ( -3.671 -2.073 8.664) 9.636 13.803 ( 21.005 5.235 -7.274) 22.837 16.167 ( 7.227 3.118 6.666) 10.315======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.322 ( -24.108 -7.743 -4.551) 25.727 1.669 ( -31.849 -3.223 -3.203) 32.171 2.885 ( -52.505 -10.543 0.965) 53.562 4.048 ( -5.323 0.018 1.086) 5.433 4.467 ( -17.357 -4.211 -0.739) 17.875 7.085 ( 0.926 0.150 0.039) 0.939 8.311 ( -12.795 -2.097 -0.687) 12.984 9.855 ( 18.949 3.711 -1.464) 19.365 11.367 ( 4.999 0.338 0.483) 5.034 12.200 ( -10.613 -1.852 6.071) 12.366 14.157 ( 18.334 3.193 -2.609) 18.792 16.311 ( 5.209 1.480 3.511) 6.454======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.854 ( -25.677 -0.000 0.000) 25.677 1.102 ( -33.108 -0.000 0.000) 33.108 1.921 ( -56.436 -0.000 0.000) 56.436 3.975 ( -3.570 -0.000 0.000) 3.570 4.182 ( -13.821 -0.000 0.000) 13.821 7.092 ( 0.057 0.000 -0.000) 0.057 8.119 ( -8.735 -0.000 0.000) 8.735 10.223 ( 22.280 0.000 -0.000) 22.280 11.451 ( 4.593 0.000 -0.000) 4.593 11.981 ( -15.712 -0.000 0.000) 15.712 14.438 ( 13.714 0.000 -0.000) 13.714 16.392 ( 3.032 0.000 -0.000) 3.032======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.087 ( -0.000 22.664 12.386) 25.828 1.196 ( -0.000 29.991 0.403) 29.993 2.295 ( -0.000 54.930 7.492) 55.438 4.001 ( -0.000 4.046 0.272) 4.055 4.241 ( -0.000 15.549 -1.641) 15.636 7.100 ( 0.000 -1.278 1.376) 1.878 8.157 ( -0.000 9.614 -0.186) 9.616 10.048 ( 0.000 -19.472 -5.219) 20.159 11.442 ( 0.000 -4.474 0.105) 4.476 11.967 ( -0.000 17.304 -16.260) 23.745 14.381 ( 0.000 -15.401 3.498) 15.793 16.257 ( 0.000 2.292 -15.372) 15.542======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.393 ( 7.615 20.212 11.273) 24.364 1.643 ( 16.555 26.907 0.901) 31.605 2.951 ( 13.910 50.217 4.917) 52.340 4.056 ( 1.355 5.479 -0.267) 5.650 4.451 ( 6.389 16.865 -0.749) 18.051 7.086 ( -0.605 -1.337 0.026) 1.468 8.308 ( 5.512 11.904 0.433) 13.125 9.823 ( -3.471 -18.165 -1.468) 18.551 11.368 ( -2.896 -4.319 -0.419) 5.217 12.073 ( 1.544 12.563 -17.314) 21.448 14.197 ( -4.609 -17.638 6.058) 19.210 16.217 ( -1.119 -0.843 -11.696) 11.780======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.779 ( 12.942 15.967 9.789) 22.766 2.197 ( 18.839 24.723 1.256) 31.108 3.701 ( 20.952 40.850 0.766) 45.916 4.155 ( 3.088 8.673 -0.125) 9.208 4.753 ( 10.606 16.038 0.689) 19.240 7.047 ( -1.962 -2.108 -1.268) 3.147 8.561 ( 9.079 14.256 1.500) 16.968 9.601 ( -4.414 -12.741 0.940) 13.517 11.285 ( -2.104 -3.045 -1.060) 3.851 12.123 ( 0.970 5.164 -18.027) 18.777 13.946 ( -7.594 -18.697 10.326) 22.669 16.107 ( -5.330 -3.164 -10.761) 12.418======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.174 ( 14.608 11.615 7.667) 20.177 2.728 ( 16.318 23.532 1.118) 28.658 4.209 ( 5.823 11.625 -5.027) 13.940 4.512 ( 20.995 30.179 2.259) 36.833 5.100 ( 12.812 14.181 2.002) 19.216 6.967 ( -3.877 -3.326 -2.008) 5.489 8.876 ( 10.145 15.688 2.741) 18.883 9.468 ( -1.262 -4.749 1.553) 5.153 11.242 ( -0.584 -0.203 -1.326) 1.464 12.066 ( -1.961 -2.897 -19.124) 19.441 13.666 ( -9.417 -19.211 15.178) 26.232 15.921 ( -7.853 -3.782 -11.320) 14.287======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.525 ( 13.892 7.257 5.380) 16.571 3.185 ( 11.690 22.458 0.507) 25.324 4.356 ( 2.590 10.609 -3.876) 11.588 5.141 ( 21.972 22.004 -1.415) 31.128 5.453 ( 13.053 12.538 2.560) 18.280 6.846 ( -5.430 -4.127 -1.413) 6.965 9.193 ( 8.848 13.979 4.105) 17.046 9.496 ( 4.264 5.096 0.376) 6.655 11.254 ( 0.355 3.615 -1.162) 3.814 11.875 ( -5.833 -8.743 -20.111) 22.691 13.357 ( -12.431 -19.907 17.637) 29.358 15.731 ( -5.366 -3.358 -10.481) 12.244======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.803 ( 11.740 3.215 3.003) 12.537 3.543 ( 6.051 21.085 -0.125) 21.937 4.481 ( 0.910 11.674 -3.112) 12.116 5.627 ( 18.218 11.049 -2.222) 21.422 5.780 ( 11.456 11.454 0.283) 16.202 6.711 ( -5.706 -3.862 1.041) 6.968 9.469 ( 8.748 11.654 4.148) 15.151 9.687 ( 6.968 12.857 -0.948) 14.655 11.282 ( -2.758 2.750 -1.950) 4.356 11.621 ( -4.623 -6.687 -18.055) 19.801 12.973 ( -17.822 -19.857 15.713) 30.965 15.631 ( 1.037 -3.632 -7.074) 8.020======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.995 ( 8.867 -0.189 0.572) 8.887 3.789 ( 0.403 19.391 -0.332) 19.398 4.586 ( -1.192 12.383 -2.106) 12.617 5.953 ( 13.180 4.262 -0.473) 13.860 6.033 ( 8.496 7.574 -5.662) 12.712 6.603 ( -4.396 -2.897 5.499) 7.613 9.742 ( 6.431 14.990 3.465) 16.675 9.938 ( 9.353 12.660 -2.294) 15.907 11.115 ( -8.360 -9.345 -8.674) 15.247 11.573 ( 1.257 6.706 -7.691) 10.281 12.507 ( -21.687 -16.828 11.812) 29.884 15.636 ( 6.278 -5.559 -3.296) 9.011======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.099 ( 5.719 -2.829 -1.729) 6.611 3.930 ( -4.516 17.553 -0.006) 18.124 4.660 ( -3.686 12.470 -1.013) 13.043 6.148 ( 5.245 1.570 3.028) 6.257 6.166 ( 7.290 2.459 -13.752) 15.757 6.551 ( -2.139 -2.721 10.860) 11.398 9.952 ( -3.352 19.970 2.550) 20.409 10.227 ( 13.394 8.031 -3.309) 15.964 10.885 ( -2.403 -10.874 -7.037) 13.173 11.621 ( -1.920 4.108 -3.134) 5.512 12.071 ( -18.520 -6.341 7.506) 20.965 15.685 ( 7.740 -8.226 -1.054) 11.344======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.121 ( 2.442 -4.806 -3.591) 6.478 3.979 ( -8.825 15.596 0.427) 17.925 4.693 ( -6.189 11.809 0.057) 13.333 6.160 ( 0.031 -3.056 -7.216) 7.836 6.267 ( 4.673 2.326 -5.440) 7.539 6.535 ( -1.616 -3.975 13.744) 14.398 10.015 ( -12.141 18.446 0.448) 22.088 10.412 ( 1.472 0.305 -2.108) 2.589 10.834 ( 9.128 -7.109 -1.711) 11.695 11.572 ( 0.839 -2.143 0.519) 2.359 11.890 ( -8.915 9.636 0.982) 13.164 15.714 ( 6.494 -10.183 0.056) 12.078======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.064 ( -1.111 -6.325 -4.786) 8.009 3.937 ( -13.138 13.230 0.391) 18.649 4.682 ( -8.278 10.457 1.104) 13.383 6.055 ( -3.861 -6.503 -7.809) 10.871 6.316 ( -0.542 0.162 -1.393) 1.503 6.512 ( -0.792 -3.017 11.068) 11.499 9.913 ( -15.978 10.223 -1.147) 19.003 10.259 ( -13.828 -4.407 -0.234) 14.515 11.004 ( 13.721 -0.565 3.912) 14.279 11.688 ( 6.536 2.228 3.533) 7.757 11.918 ( 4.081 12.087 -6.918) 14.512 15.710 ( 4.825 -10.115 1.325) 11.285======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.929 ( -5.182 -7.445 -5.299) 10.505 3.794 ( -17.795 10.141 -0.246) 20.483 4.628 ( -9.731 8.567 1.990) 13.117 5.860 ( -7.802 -8.583 -7.146) 13.624 6.181 ( -13.123 -5.529 5.648) 15.319 6.578 ( 5.818 1.518 3.690) 7.055 9.687 ( -16.541 1.042 -1.815) 16.673 9.967 ( -17.085 -0.404 0.412) 17.095 11.232 ( 7.585 3.712 2.610) 8.839 11.771 ( 2.114 3.244 11.546) 12.178 12.235 ( 22.116 8.296 -14.505) 27.719 15.708 ( 4.667 -7.306 3.475) 9.340======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.713 ( -9.837 -7.935 -5.215) 13.672 3.536 ( -22.536 6.493 -1.085) 23.478 4.538 ( -10.454 6.276 2.429) 12.433 5.580 ( -13.753 -9.282 -5.503) 17.481 5.844 ( -21.290 -7.094 5.226) 23.041 6.725 ( 7.854 2.225 2.239) 8.465 9.406 ( -14.974 -2.257 -1.918) 15.264 9.696 ( -16.175 1.455 -0.102) 16.241 11.296 ( -2.982 3.567 -0.417) 4.668 11.969 ( 11.390 2.247 14.644) 18.688 12.637 ( 24.394 4.849 -15.851) 29.493 15.765 ( 6.418 -2.734 5.634) 8.967======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.418 ( -14.802 -7.314 -4.510) 17.115 3.166 ( -26.771 3.009 -1.609) 26.988 4.421 ( -10.348 3.784 2.285) 11.252 5.141 ( -28.515 -8.805 -1.555) 29.884 5.434 ( -19.862 -6.226 1.139) 20.846 6.879 ( 7.275 1.637 1.645) 7.636 9.136 ( -15.557 -1.380 -1.371) 15.678 9.484 ( -8.917 0.679 -0.971) 8.996 11.263 ( -2.860 2.004 -0.238) 3.501 12.208 ( 9.312 0.239 10.165) 13.787 13.034 ( 24.662 3.152 -11.603) 27.437 15.902 ( 8.384 0.814 5.841) 10.250======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.060 ( -19.459 -4.925 -2.923) 20.284 2.704 ( -30.004 0.544 -1.402) 30.042 4.287 ( -9.569 1.475 1.971) 9.880 4.476 ( -41.143 -6.008 -0.431) 41.581 5.075 ( -18.372 -3.749 -0.475) 18.757 6.997 ( 4.916 0.676 0.788) 5.024 8.841 ( -17.876 -0.874 -0.612) 17.908 9.443 ( 3.600 0.826 -1.062) 3.844 11.256 ( 0.577 0.708 0.093) 0.918 12.331 ( 2.854 -0.790 4.477) 5.368 13.438 ( 24.181 2.044 -4.927) 24.762 16.076 ( 8.626 1.456 3.507) 9.425======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.674 ( -22.950 -0.000 0.000) 22.950 2.186 ( -31.918 -0.000 0.000) 31.918 3.688 ( -48.921 -0.000 0.000) 48.921 4.158 ( -7.491 -0.000 0.000) 7.491 4.747 ( -18.634 -0.000 0.000) 18.634 7.061 ( 2.389 0.000 -0.000) 2.389 8.545 ( -16.466 -0.000 0.000) 16.466 9.593 ( 13.381 0.000 -0.000) 13.381 11.295 ( 3.576 0.000 -0.000) 3.576 12.324 ( -3.996 -0.000 0.000) 3.996 13.828 ( 22.125 0.000 -0.000) 22.125 16.222 ( 7.164 0.000 -0.000) 7.164======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.578 ( -0.000 20.840 8.938) 22.676 1.756 ( -0.000 28.045 0.261) 28.046 3.350 ( -0.000 50.278 4.353) 50.466 4.093 ( -0.000 5.265 0.248) 5.270 4.577 ( -0.000 20.103 -0.660) 20.114 7.077 ( 0.000 -1.482 -0.299) 1.512 8.383 ( -0.000 13.810 0.264) 13.813 9.671 ( 0.000 -16.758 -1.309) 16.809 11.349 ( 0.000 -5.028 -0.156) 5.030 12.113 ( 0.000 9.435 -18.410) 20.687 14.073 ( 0.000 -20.045 7.314) 21.338 16.184 ( 0.000 -0.739 -10.370) 10.396======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.831 ( 4.653 18.242 7.892) 20.413 2.152 ( 14.231 25.673 -0.134) 29.354 3.885 ( 7.291 43.186 0.470) 43.800 4.177 ( 3.632 7.590 0.681) 8.441 4.813 ( 4.127 21.065 1.035) 21.490 7.050 ( -1.174 -2.118 -0.896) 2.582 8.579 ( 6.130 15.566 1.080) 16.764 9.517 ( -0.790 -12.512 0.043) 12.537 11.282 ( -1.854 -3.991 -0.839) 4.480 12.109 ( -0.756 3.766 -19.481) 19.856 13.876 ( -3.219 -21.209 10.211) 23.758 16.117 ( -2.934 -2.106 -9.370) 10.042======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.125 ( 8.821 13.864 6.747) 17.763 2.663 ( 18.034 23.480 -0.498) 29.610 4.234 ( 3.697 13.311 -4.393) 14.496 4.518 ( 14.169 29.278 1.179) 32.548 5.113 ( 6.586 21.058 3.239) 22.301 6.988 ( -2.920 -3.122 -1.270) 4.459 8.878 ( 9.649 16.843 2.828) 19.616 9.425 ( 0.662 -5.344 0.512) 5.409 11.229 ( -0.096 -1.741 -1.965) 2.627 12.019 ( -2.951 -2.627 -19.987) 20.374 13.638 ( -5.375 -21.757 13.796) 26.317 15.977 ( -6.874 -3.130 -9.432) 12.083======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.418 ( 10.395 9.103 4.839) 14.640 3.170 ( 16.269 22.267 -0.687) 27.586 4.395 ( 3.839 11.641 -4.632) 13.104 5.021 ( 16.580 20.075 -1.726) 26.094 5.447 ( 7.559 20.841 4.173) 22.559 6.888 ( -4.534 -3.695 -0.662) 5.886 9.197 ( 8.080 13.063 5.110) 16.188 9.474 ( 5.682 6.942 -0.770) 9.004 11.245 ( 3.190 1.732 -2.816) 4.594 11.824 ( -6.156 -7.872 -20.121) 22.466 13.373 ( -7.436 -22.374 16.337) 28.684 15.782 ( -8.302 -3.404 -9.185) 12.840======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.667 ( 10.041 4.577 2.541) 11.324 3.610 ( 11.359 21.785 -0.780) 24.581 4.554 ( 2.986 12.790 -4.835) 13.996 5.431 ( 16.493 9.696 -1.579) 19.197 5.767 ( 6.697 17.565 1.877) 18.891 6.772 ( -5.238 -3.187 1.393) 6.287 9.425 ( 7.841 7.759 3.221) 11.492 9.726 ( 7.616 17.916 0.402) 19.472 11.342 ( 3.146 6.567 -2.306) 7.638 11.548 ( -6.567 -10.497 -19.881) 23.421 13.060 ( -11.092 -22.633 15.980) 29.843 15.602 ( -5.089 -4.043 -7.221) 9.715======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.852 ( 8.536 0.729 0.176) 8.569 3.951 ( 4.803 21.531 -0.566) 22.068 4.702 ( 1.358 13.616 -4.304) 14.345 5.753 ( 14.996 4.136 -1.072) 15.593 5.995 ( 4.381 10.261 -1.683) 11.283 6.672 ( -4.810 -2.067 4.639) 6.995 9.672 ( 11.839 9.016 -0.102) 14.882 10.012 ( 4.653 18.701 1.727) 19.348 11.189 ( -12.635 -6.467 -12.237) 18.740 11.544 ( 7.184 7.049 -6.719) 12.101 12.679 ( -15.323 -20.461 12.993) 28.675 15.499 ( 0.917 -6.335 -4.057) 7.578======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.966 ( 6.407 -2.153 -1.926) 7.029 4.177 ( -1.887 20.919 0.034) 21.004 4.826 ( -1.022 13.942 -2.994) 14.297 5.998 ( 11.415 2.420 -5.053) 12.716 6.103 ( 2.676 2.483 -1.203) 3.844 6.605 ( -3.565 -2.115 8.054) 9.058 9.980 ( 14.510 9.498 -3.417) 17.676 10.251 ( 2.179 18.161 3.025) 18.540 10.888 ( -11.205 -5.970 -9.394) 15.793 11.675 ( 0.554 6.479 -3.524) 7.397 12.290 ( -14.747 -12.092 8.450) 20.859 15.472 ( 5.781 -9.734 -1.543) 11.426======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.012 ( 3.875 -4.009 -3.454) 6.559 4.292 ( -7.625 19.436 0.699) 20.889 4.910 ( -4.270 13.869 -1.167) 14.558 6.079 ( 1.910 -1.888 -12.390) 12.678 6.197 ( 6.034 1.250 2.727) 6.739 6.563 ( -1.901 -4.004 10.981) 11.841 10.270 ( 11.062 6.490 -5.891) 14.113 10.431 ( -7.225 18.881 2.435) 20.363 10.684 ( 0.031 -5.343 -2.422) 5.866 11.609 ( -7.596 -2.873 1.008) 8.183 12.097 ( -6.775 4.232 1.369) 8.104 15.479 ( 7.861 -12.316 -0.283) 14.614======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.995 ( 0.894 -4.981 -4.234) 6.598 4.302 ( -12.548 16.726 0.888) 20.928 4.939 ( -7.849 13.206 0.795) 15.383 6.000 ( -1.305 -6.858 -10.379) 12.508 6.296 ( 3.304 2.171 -0.896) 4.054 6.533 ( -1.256 -5.190 11.942) 13.081 10.276 ( -17.857 5.729 -2.914) 18.978 10.381 ( -1.760 -1.292 -2.654) 3.437 10.853 ( 10.243 10.145 6.877) 15.973 11.555 ( 5.391 0.942 -1.542) 5.686 12.053 ( -6.266 6.365 -1.549) 9.065 15.493 ( 8.141 -12.348 0.528) 14.799======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.918 ( -2.684 -5.224 -4.251) 7.250 4.198 ( -17.215 12.642 0.445) 21.363 4.907 ( -10.928 11.468 2.249) 16.000 5.845 ( -3.882 -9.192 -8.494) 13.104 6.308 ( -4.523 -1.407 1.837) 5.081 6.527 ( 2.266 -1.679 6.855) 7.413 9.971 ( -18.912 -1.778 -1.886) 19.089 10.246 ( -12.641 1.320 0.213) 12.712 11.168 ( 9.799 13.565 7.015) 18.145 11.746 ( 11.174 2.073 1.072) 11.415 12.013 ( 1.545 2.177 -7.677) 8.128 15.526 ( 8.328 -9.260 1.656) 12.564======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.777 ( -6.888 -4.702 -3.560) 9.068 3.973 ( -21.657 7.700 -0.188) 22.986 4.811 ( -12.777 8.154 2.490) 15.361 5.645 ( -7.103 -8.310 -5.857) 12.402 6.120 ( -15.437 -3.858 3.789) 16.356 6.623 ( 6.866 0.967 2.179) 7.268 9.637 ( -17.140 -2.969 -1.274) 17.442 10.015 ( -17.383 2.624 0.564) 17.589 11.401 ( -1.116 11.251 1.191) 11.369 11.866 ( 6.187 -2.015 12.670) 14.243 12.219 ( 22.704 1.157 -14.936) 27.201 15.613 ( 9.240 -4.458 2.703) 10.610======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.577 ( -11.485 -3.115 -2.170) 12.097 3.631 ( -25.503 3.088 -0.452) 25.693 4.660 ( -12.930 3.761 1.529) 13.553 5.404 ( -13.335 -4.800 -2.727) 14.433 5.770 ( -23.086 -2.861 2.011) 23.349 6.765 ( 8.142 0.791 0.883) 8.228 9.354 ( -13.945 -1.444 -0.813) 14.043 9.734 ( -18.147 1.382 0.147) 18.200 11.371 ( -7.392 3.223 -0.512) 8.080 12.061 ( 11.671 -0.322 7.393) 13.819 12.598 ( 25.773 0.780 -7.901) 26.968 15.761 ( 10.160 -0.780 2.358) 10.459======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.328 ( -15.940 -0.000 0.000) 15.940 3.194 ( -28.407 -0.000 0.000) 28.407 4.474 ( -11.562 -0.000 0.000) 11.562 5.043 ( -28.574 -0.000 0.000) 28.574 5.375 ( -21.059 -0.000 0.000) 21.059 6.900 ( 7.205 0.000 -0.000) 7.205 9.117 ( -15.004 -0.000 0.000) 15.004 9.491 ( -9.805 -0.000 0.000) 9.805 11.286 ( -3.781 -0.000 0.000) 3.781 12.242 ( 8.269 0.000 -0.000) 8.269 13.021 ( 25.835 0.000 -0.000) 25.835 15.933 ( 9.950 0.000 -0.000) 9.950======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.994 ( -0.000 17.339 4.911) 18.021 2.270 ( -0.000 25.268 0.318) 25.270 4.201 ( -0.000 5.706 0.107) 5.707 4.238 ( -0.000 39.964 -1.942) 40.011 5.010 ( -0.000 24.898 3.132) 25.094 7.036 ( 0.000 -2.475 -0.728) 2.580 8.681 ( -0.000 16.393 1.056) 16.427 9.417 ( 0.000 -8.898 0.576) 8.917 11.257 ( 0.000 -3.972 -0.696) 4.033 12.065 ( 0.000 -0.504 -21.429) 21.435 13.728 ( 0.000 -22.379 11.558) 25.188 16.095 ( 0.000 -1.811 -8.085) 8.286======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.184 ( 3.013 14.201 3.805) 15.007 2.618 ( 12.583 22.991 -0.280) 26.210 4.277 ( 2.458 7.343 -1.106) 7.822 4.624 ( 6.345 29.738 -4.645) 30.760 5.295 ( 1.994 27.183 5.325) 27.771 6.994 ( -1.688 -3.021 -0.527) 3.500 8.906 ( 6.976 16.955 2.210) 18.467 9.367 ( 1.111 -3.107 0.902) 3.421 11.211 ( -0.920 -2.461 -1.683) 3.121 11.952 ( -1.446 -5.226 -21.865) 22.527 13.532 ( -2.405 -22.933 13.510) 26.725 16.017 ( -4.177 -2.173 -7.581) 8.925======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.387 ( 5.943 9.836 2.799) 11.828 3.084 ( 17.514 20.727 -0.869) 27.150 4.413 ( 4.943 9.310 -2.723) 10.887 4.973 ( 9.622 18.724 -5.069) 21.653 5.614 ( 2.661 26.416 5.359) 27.085 6.921 ( -3.384 -3.001 0.290) 4.532 9.212 ( 7.681 13.694 4.992) 16.475 9.432 ( 6.770 7.228 -0.727) 9.930 11.188 ( 1.754 -0.836 -3.800) 4.268 11.772 ( -3.910 -7.956 -20.377) 22.222 13.301 ( -4.416 -23.479 15.019) 28.220 15.865 ( -8.059 -2.545 -7.299) 11.167======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.578 ( 7.209 5.396 1.199) 9.084 3.565 ( 17.121 19.387 -0.947) 25.882 4.590 ( 5.282 11.725 -4.456) 13.610 5.271 ( 12.019 9.443 -3.091) 15.595 5.898 ( 1.681 21.055 2.998) 21.334 6.835 ( -4.482 -1.771 2.100) 5.256 9.406 ( 4.510 8.255 2.495) 9.732 9.744 ( 11.944 17.803 1.644) 21.501 11.240 ( 7.561 -0.518 -7.481) 10.649 11.545 ( -7.192 -5.878 -16.135) 18.617 13.033 ( -6.774 -23.929 15.117) 29.103 15.667 ( -9.183 -3.137 -6.247) 11.541======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.732 ( 7.077 1.592 -0.579) 7.277 4.001 ( 13.032 19.106 -0.510) 23.133 4.771 ( 3.814 13.421 -5.759) 15.095 5.540 ( 13.941 3.203 -0.801) 14.327 6.076 ( -0.593 12.659 0.096) 12.674 6.758 ( -5.020 0.037 4.373) 6.658 9.591 ( 7.671 9.593 -1.635) 12.391 10.089 ( 7.768 16.208 4.035) 18.421 11.243 ( -3.776 -7.023 -16.933) 18.717 11.465 ( 6.144 8.224 -4.111) 11.058 12.718 ( -9.706 -23.074 13.509) 28.445 15.477 ( -6.530 -4.954 -4.176) 9.199======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.839 ( 6.066 -1.179 -2.083) 6.521 4.348 ( 6.207 19.540 0.477) 20.508 4.929 ( 2.114 13.282 -5.879) 14.678 5.790 ( 14.106 0.723 -0.786) 14.146 6.129 ( -2.230 4.519 -0.901) 5.119 6.692 ( -5.433 0.116 5.933) 8.046 9.829 ( 11.255 9.264 -6.209) 15.845 10.336 ( 5.396 10.193 6.032) 13.015 11.034 ( -10.648 1.353 -11.000) 15.370 11.681 ( 7.414 10.024 -4.997) 13.432 12.381 ( -10.391 -18.510 10.567) 23.712 15.336 ( -1.467 -8.308 -1.962) 8.661======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.898 ( 4.486 -2.802 -3.013) 6.087 4.574 ( -2.144 19.477 1.427) 19.647 5.058 ( 0.865 12.141 -4.186) 12.871 5.985 ( 6.786 1.453 -8.664) 11.101 6.119 ( 1.959 -2.110 4.685) 5.499 6.617 ( -4.935 -2.167 7.067) 8.888 10.076 ( 12.580 4.952 -9.489) 16.517 10.541 ( 8.247 5.995 7.710) 12.783 10.844 ( -14.491 7.498 -5.233) 17.134 11.750 ( -7.695 3.367 -0.982) 8.456 12.183 ( -1.576 -3.288 3.384) 4.974 15.255 ( 3.733 -11.552 -0.534) 12.152======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.915 ( 2.387 -3.386 -3.247) 5.264 4.656 ( -9.577 16.812 1.355) 19.396 5.160 ( -2.146 12.405 -0.527) 12.600 5.931 ( -3.202 -5.371 -10.096) 11.876 6.232 ( 7.085 0.523 2.228) 7.445 6.546 ( -2.622 -4.454 8.402) 9.865 10.255 ( 9.739 -1.072 -7.062) 12.078 10.589 ( -15.356 1.913 -4.412) 16.091 10.845 ( 9.539 11.157 10.852) 18.255 11.609 ( -8.900 4.544 -0.830) 10.027 12.179 ( -3.080 3.067 -1.250) 4.522 15.236 ( 7.693 -12.051 0.144) 14.298======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.891 ( -0.334 -3.100 -2.790) 4.184 4.589 ( -15.100 11.530 0.659) 19.010 5.204 ( -8.473 13.045 3.092) 15.860 5.768 ( -2.533 -10.259 -9.115) 13.955 6.326 ( 2.193 1.245 -0.450) 2.561 6.508 ( -0.057 -3.963 7.461) 8.448 10.271 ( -18.532 -1.203 -2.276) 18.710 10.329 ( 0.378 -1.964 -1.848) 2.723 11.193 ( 12.538 12.841 11.574) 21.356 11.598 ( 2.515 7.202 -6.741) 10.180 12.084 ( -8.229 -2.099 -1.965) 8.716 15.284 ( 10.090 -8.767 0.610) 13.381======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.825 ( -3.725 -2.007 -1.687) 4.555 4.383 ( -19.566 5.353 0.121) 20.286 5.126 ( -14.463 7.950 2.730) 16.729 5.622 ( -1.479 -7.357 -5.148) 9.100 6.292 ( -6.933 -1.032 1.207) 7.113 6.538 ( 4.349 -0.404 2.212) 4.896 9.919 ( -19.861 -1.535 -0.633) 19.931 10.256 ( -8.689 -0.018 -0.133) 8.691 11.542 ( 5.410 16.752 10.345) 20.418 11.777 ( 14.671 2.018 -4.647) 15.521 11.885 ( -3.428 -10.364 -5.600) 12.269 15.405 ( 11.198 -3.707 0.816) 11.824======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.718 ( -7.597 -0.000 0.000) 7.597 4.052 ( -23.076 -0.000 0.000) 23.076 4.916 ( -14.862 -0.000 0.000) 14.862 5.526 ( -5.701 -0.000 0.000) 5.701 6.094 ( -16.238 -0.000 0.000) 16.238 6.640 ( 7.205 0.000 -0.000) 7.205 9.600 ( -17.149 -0.000 0.000) 17.149 10.042 ( -16.630 -0.000 0.000) 16.630 11.558 ( -12.064 -0.000 0.000) 12.064 11.874 ( 11.394 0.000 -0.000) 11.394 12.156 ( 25.586 0.000 -0.000) 25.586 15.579 ( 11.235 0.000 -0.000) 11.235======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.299 ( -0.000 12.256 0.791) 12.282 2.724 ( -0.000 21.638 0.537) 21.644 4.308 ( -0.000 5.385 -0.081) 5.385 4.820 ( -0.000 24.849 -7.753) 26.030 5.573 ( -0.000 28.954 6.043) 29.578 6.980 ( 0.000 -2.802 0.249) 2.813 9.009 ( -0.000 16.289 1.932) 16.404 9.352 ( -0.000 1.369 1.743) 2.217 11.196 ( 0.000 -1.456 -1.401) 2.020 11.817 ( 0.000 -8.966 -23.048) 24.731 13.375 ( 0.000 -23.410 13.772) 27.161 16.012 ( 0.000 -1.596 -6.406) 6.601======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.418 ( 2.107 8.928 -0.298) 9.178 3.023 ( 11.433 19.197 0.050) 22.343 4.396 ( 4.450 5.898 -0.680) 7.420 5.027 ( 3.092 18.091 -7.750) 19.922 5.865 ( 0.442 26.229 4.908) 26.688 6.944 ( -1.822 -1.771 1.343) 2.874 9.237 ( 7.352 14.988 3.534) 17.064 9.413 ( 2.878 7.132 0.795) 7.732 11.167 ( -1.503 -0.632 -3.046) 3.455 11.645 ( 0.135 -10.415 -21.226) 23.644 13.178 ( -2.167 -23.737 13.907) 27.596 15.936 ( -5.011 -1.476 -5.745) 7.765======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.536 ( 4.142 5.180 -0.971) 6.703 3.440 ( 17.300 16.774 -0.473) 24.102 4.562 ( 7.882 7.785 -1.979) 11.254 5.212 ( 5.161 11.088 -5.837) 13.552 6.101 ( -0.606 19.674 2.619) 19.857 6.902 ( -3.263 0.670 2.954) 4.452 9.453 ( 2.142 10.698 3.016) 11.319 9.678 ( 14.889 15.106 1.114) 21.239 11.115 ( 0.514 -4.029 -8.116) 9.076 11.504 ( -0.062 -5.163 -14.880) 15.750 12.942 ( -4.274 -23.837 13.475) 27.714 15.783 ( -9.163 -1.726 -4.944) 10.554======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.644 ( 5.152 1.894 -1.759) 5.764 3.893 ( 18.471 15.046 -0.436) 23.827 4.779 ( 8.119 10.843 -3.986) 14.120 5.378 ( 8.045 4.092 -2.657) 9.409 6.227 ( -2.801 11.313 0.503) 11.665 6.870 ( -4.622 3.420 4.382) 7.229 9.599 ( 2.904 11.422 -1.332) 11.861 10.078 ( 12.891 13.566 3.974) 19.131 11.076 ( 6.149 -6.340 -13.042) 15.751 11.464 ( 1.138 3.674 -7.349) 8.294 12.671 ( -6.475 -23.077 12.288) 26.934 15.578 ( -10.855 -2.720 -3.624) 11.763======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.730 ( 5.189 -0.433 -2.352) 5.713 4.322 ( 16.092 14.133 0.311) 21.419 4.987 ( 4.302 13.250 -6.287) 15.284 5.556 ( 12.679 -1.238 0.453) 12.748 6.237 ( -4.859 4.624 -0.181) 6.710 6.829 ( -6.654 3.536 4.624) 8.841 9.760 ( 5.422 10.041 -6.307) 13.038 10.334 ( 5.689 5.008 5.680) 9.472 11.112 ( 2.357 4.238 -10.407) 11.481 11.586 ( 10.283 7.003 -5.073) 13.436 12.377 ( -7.980 -20.290 10.598) 24.243 15.360 ( -9.480 -4.909 -2.037) 10.868======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.792 ( 4.533 -1.667 -2.508) 5.442 4.687 ( 10.455 14.271 2.030) 17.807 5.119 ( 0.699 10.783 -7.084) 12.921 5.780 ( 15.176 -1.285 0.269) 15.232 6.165 ( -6.205 -0.126 0.559) 6.232 6.741 ( -8.285 1.014 4.223) 9.354 9.919 ( 7.867 5.123 -9.350) 13.250 10.474 ( 6.820 2.120 6.235) 9.480 11.102 ( -8.745 8.153 -3.982) 12.602 11.837 ( 7.427 9.610 -5.914) 13.508 12.132 ( -2.627 -13.495 8.387) 16.104 15.169 ( -5.235 -7.642 -0.753) 9.294======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.832 ( 3.335 -1.907 -2.157) 4.406 4.921 ( -1.742 14.479 3.239) 14.939 5.204 ( 4.592 5.396 -5.147) 8.757 5.958 ( -1.782 2.322 -8.147) 8.657 6.086 ( 6.263 -5.103 6.693) 10.491 6.617 ( -7.266 -1.545 3.982) 8.428 10.058 ( 9.481 0.154 -6.925) 11.742 10.670 ( 9.426 5.971 1.779) 11.299 10.947 ( -13.398 0.604 2.776) 13.696 11.834 ( -9.359 5.947 -0.317) 11.093 12.175 ( 6.139 0.236 -0.147) 6.145 15.052 ( 1.252 -8.471 -0.066) 8.563======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.852 ( 1.580 -1.315 -1.309) 2.437 4.909 ( -11.820 7.369 0.788) 13.952 5.359 ( 6.170 7.161 1.025) 9.508 5.761 ( -12.116 -5.365 -5.325) 14.281 6.246 ( 8.729 -0.035 0.901) 8.776 6.519 ( -3.484 -2.025 3.234) 5.167 10.193 ( 8.937 -1.094 -2.583) 9.367 10.604 ( -19.610 1.382 -2.054) 19.766 11.011 ( 16.879 1.245 5.589) 17.824 11.754 ( -7.883 7.709 -0.880) 11.061 12.183 ( -5.043 -1.067 -1.130) 5.277 15.061 ( 7.727 -5.264 0.149) 9.351======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.850 ( -0.796 -0.000 0.000) 0.796 4.709 ( -16.201 -0.000 0.000) 16.201 5.447 ( -16.773 -0.000 0.000) 16.773 5.528 ( 5.298 0.000 -0.000) 5.298 6.336 ( 1.433 0.000 -0.000) 1.433 6.493 ( 0.891 0.000 -0.000) 0.891 10.248 ( -17.395 -0.000 0.000) 17.395 10.302 ( -0.726 -0.000 0.000) 0.726 11.356 ( 21.530 0.000 -0.000) 21.530 11.702 ( -2.855 -0.000 0.000) 2.855 12.011 ( -12.579 -0.000 0.000) 12.579 15.198 ( 11.122 0.000 -0.000) 11.122======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.472 ( -0.000 6.623 -2.638) 7.129 3.101 ( -0.000 17.154 0.737) 17.169 4.402 ( -0.000 4.454 -0.217) 4.460 5.139 ( -0.000 15.175 -8.040) 17.173 6.111 ( -0.000 21.845 3.315) 22.095 6.959 ( -0.000 0.539 2.477) 2.535 9.311 ( -0.000 13.269 2.488) 13.500 9.482 ( -0.000 10.385 2.073) 10.589 11.187 ( -0.000 1.647 -1.941) 2.546 11.446 ( 0.000 -13.147 -21.279) 25.013 13.013 ( 0.000 -23.634 12.820) 26.887 15.952 ( 0.000 -0.795 -4.730) 4.797======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.526 ( 1.696 3.890 -3.215) 5.324 3.349 ( 10.733 14.473 0.387) 18.023 4.493 ( 5.998 4.516 -0.534) 7.527 5.251 ( 1.181 10.986 -6.837) 12.994 6.289 ( -0.903 14.673 1.416) 14.769 6.976 ( -1.642 3.955 3.532) 5.552 9.518 ( 7.336 11.733 3.882) 14.372 9.623 ( 4.167 13.236 0.270) 13.879 11.095 ( -6.518 -5.751 -9.192) 12.651 11.354 ( 6.454 -4.381 -11.788) 14.135 12.813 ( -2.139 -23.021 11.590) 25.862 15.884 ( -5.606 -0.607 -3.893) 6.852======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.583 ( 3.267 1.496 -3.055) 4.717 3.714 ( 17.312 11.812 -0.007) 20.957 4.682 ( 11.010 5.797 -1.315) 12.513 5.339 ( 1.851 6.200 -4.677) 7.983 6.368 ( -2.723 7.567 0.243) 8.046 7.000 ( -3.329 6.362 3.903) 8.172 9.697 ( 0.043 13.154 0.695) 13.172 9.946 ( 17.195 10.955 1.686) 20.458 10.911 ( -0.507 -8.679 -10.625) 13.729 11.417 ( 4.917 2.236 -6.681) 8.592 12.583 ( -4.194 -21.415 10.060) 24.029 15.731 ( -10.275 -0.937 -2.893) 10.715======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.642 ( 4.142 -0.114 -2.631) 4.908 4.128 ( 19.699 9.455 0.016) 21.850 4.946 ( 12.508 8.788 -2.969) 15.573 5.404 ( 3.762 0.445 -1.559) 4.096 6.355 ( -4.641 3.064 0.051) 5.562 6.997 ( -5.976 5.667 3.397) 8.909 9.803 ( -0.524 11.007 -4.468) 11.891 10.272 ( 9.402 3.356 4.015) 10.760 10.945 ( 14.794 1.453 -7.985) 16.874 11.499 ( 4.162 2.829 -4.177) 6.540 12.339 ( -5.765 -17.809 8.118) 20.403 15.515 ( -12.882 -1.900 -1.754) 13.139======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.699 ( 4.282 -0.831 -1.968) 4.785 4.533 ( 19.018 7.320 0.575) 20.386 5.190 ( 3.830 12.019 -5.830) 13.896 5.502 ( 12.946 -5.239 2.290) 14.152 6.280 ( -6.481 0.609 0.237) 6.514 6.923 ( -9.162 3.011 2.485) 9.960 9.863 ( 1.218 5.173 -6.983) 8.776 10.400 ( 5.781 0.156 4.577) 7.375 11.234 ( 5.488 11.570 -4.524) 13.581 11.620 ( 15.196 -2.317 -2.158) 15.522 12.126 ( -5.704 -10.224 5.577) 12.968 15.270 ( -12.608 -3.173 -0.766) 13.024======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.754 ( 3.853 -0.749 -1.088) 4.073 4.895 ( 16.584 5.370 1.690) 17.514 5.232 ( -4.716 4.627 -4.228) 7.843 5.758 ( 18.517 -1.074 0.739) 18.563 6.153 ( -8.938 -0.912 0.489) 8.998 6.776 ( -10.706 0.501 1.456) 10.816 9.919 ( 5.079 0.823 -4.207) 6.647 10.547 ( 9.482 1.843 2.380) 9.948 11.197 ( -13.216 2.548 -0.452) 13.467 11.937 ( 16.822 3.317 -4.772) 17.797 12.005 ( -2.123 -3.746 5.260) 6.797 15.056 ( -8.335 -3.227 -0.169) 8.939======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.805 ( 2.959 0.000 -0.000) 2.959 5.122 ( -8.976 -0.000 0.000) 8.976 5.194 ( 14.458 0.000 -0.000) 14.458 5.964 ( -12.963 -0.000 0.000) 12.963 6.044 ( 15.199 0.000 -0.000) 15.199 6.615 ( -8.370 -0.000 0.000) 8.370 10.031 ( 8.655 0.000 -0.000) 8.655 10.759 ( 13.999 0.000 -0.000) 13.999 10.933 ( -18.402 -0.000 0.000) 18.402 11.910 ( -6.517 -0.000 0.000) 6.517 12.174 ( 6.746 0.000 -0.000) 6.746 14.965 ( 0.073 0.000 -0.000) 0.073======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.529 ( 0.000 2.143 -4.222) 4.735 3.386 ( -0.000 11.902 0.729) 11.924 4.474 ( -0.000 3.130 -0.239) 3.139 5.317 ( -0.000 8.786 -6.092) 10.691 6.413 ( -0.000 8.697 0.438) 8.708 7.053 ( -0.000 6.614 3.444) 7.457 9.538 ( -0.000 8.568 2.319) 8.876 9.751 ( -0.000 15.565 1.825) 15.672 11.060 ( 0.000 -13.296 -16.357) 21.079 11.227 ( -0.000 3.584 -1.896) 4.054 12.653 ( 0.000 -21.352 9.683) 23.445 15.918 ( 0.000 -0.077 -3.053) 3.054======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.541 ( 1.615 0.704 -3.723) 4.119 3.578 ( 10.399 9.005 0.438) 13.763 4.560 ( 7.207 2.839 -0.351) 7.754 5.371 ( 0.070 5.817 -4.508) 7.360 6.461 ( -1.636 4.269 0.082) 4.572 7.118 ( -1.601 6.945 2.809) 7.661 9.722 ( 11.425 6.859 2.677) 13.592 9.904 ( -0.147 15.460 0.180) 15.461 10.834 ( -4.430 -11.050 -10.813) 16.083 11.321 ( 6.312 2.850 -3.342) 7.690 12.473 ( -2.126 -18.418 7.683) 20.069 15.858 ( -6.036 -0.046 -2.200) 6.424======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.572 ( 3.016 -0.110 -2.527) 3.937 3.887 ( 17.380 6.096 0.137) 18.418 4.762 ( 13.662 3.176 -0.640) 14.041 5.398 ( -0.407 2.669 -2.557) 3.718 6.446 ( -3.481 1.764 0.074) 3.903 7.142 ( -3.821 5.105 2.010) 6.686 9.938 ( -1.534 11.086 -0.407) 11.199 10.100 ( 13.929 3.942 0.438) 14.483 10.714 ( 6.320 -5.117 -5.516) 9.826 11.438 ( 5.314 2.351 -2.788) 6.445 12.289 ( -3.851 -13.671 5.412) 15.200 15.705 ( -11.168 -0.364 -1.299) 11.249======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.621 ( 3.819 -0.308 -1.209) 4.018 4.250 ( 20.334 3.199 0.071) 20.585 5.060 ( 18.039 3.956 -1.192) 18.506 5.389 ( -1.239 -0.771 -0.404) 1.515 6.384 ( -5.248 0.461 0.104) 5.269 7.094 ( -7.032 2.355 1.112) 7.498 9.930 ( -5.463 4.545 -3.311) 7.840 10.301 ( 7.966 -0.824 2.267) 8.323 10.990 ( 26.176 4.264 -2.530) 26.641 11.494 ( 0.404 -1.086 -0.770) 1.391 12.137 ( -3.888 -6.354 2.621) 7.897 15.482 ( -14.300 -0.688 -0.508) 14.325======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.683 ( 4.038 0.000 -0.000) 4.038 4.606 ( 20.168 0.000 -0.000) 20.168 5.331 ( -4.024 -0.000 0.000) 4.024 5.415 ( 20.891 0.000 -0.000) 20.891 6.284 ( -7.028 -0.000 0.000) 7.028 6.962 ( -10.172 -0.000 0.000) 10.172 9.883 ( -0.927 -0.000 0.000) 0.927 10.421 ( 7.212 0.000 -0.000) 7.212 11.404 ( -8.645 -0.000 0.000) 8.645 11.508 ( 29.802 0.000 -0.000) 29.802 12.060 ( -3.026 -0.000 0.000) 3.026 15.236 ( -13.988 -0.000 0.000) 13.988======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.519 ( 0.000 0.070 -3.146) 3.146 3.563 ( -0.000 6.092 0.453) 6.109 4.518 ( -0.000 1.604 -0.150) 1.611 5.406 ( -0.000 3.957 -3.204) 5.092 6.505 ( -0.000 2.150 0.054) 2.151 7.199 ( -0.000 5.415 1.692) 5.673 9.670 ( -0.000 3.961 1.374) 4.193 10.074 ( -0.000 15.952 1.954) 16.071 10.728 ( 0.000 -12.120 -9.801) 15.587 11.283 ( -0.000 2.870 -1.150) 3.092 12.357 ( 0.000 -13.751 5.268) 14.726 15.904 ( 0.000 0.169 -1.476) 1.486======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.524 ( 1.661 -0.126 -1.626) 2.328 3.696 ( 10.286 3.056 0.187) 10.732 4.595 ( 7.901 0.969 -0.122) 7.961 5.422 ( -0.451 1.796 -1.552) 2.416 6.504 ( -1.872 0.833 0.045) 2.049 7.230 ( -1.667 2.841 0.836) 3.398 9.818 ( 13.243 2.104 0.923) 13.441 10.178 ( -5.403 10.980 0.640) 12.254 10.584 ( 0.671 -8.390 -4.580) 9.582 11.354 ( 5.496 1.494 -0.979) 5.779 12.250 ( -2.133 -7.464 2.726) 8.228 15.849 ( -6.274 0.057 -0.705) 6.314======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.560 ( 2.997 0.000 -0.000) 2.997 3.946 ( 17.406 0.000 -0.000) 17.406 4.791 ( 14.763 0.000 -0.000) 14.763 5.414 ( -1.261 -0.000 0.000) 1.261 6.461 ( -3.684 -0.000 0.000) 3.684 7.199 ( -4.015 -0.000 0.000) 4.015 10.085 ( -9.661 -0.000 0.000) 9.661 10.100 ( 16.271 0.000 -0.000) 16.271 10.650 ( 13.335 0.000 -0.000) 13.335 11.452 ( 4.637 0.000 -0.000) 4.637 12.170 ( -3.478 -0.000 0.000) 3.478 15.698 ( -11.516 -0.000 0.000) 11.516======================= 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 0.00e+00 7.23e-05 Number of triplets: 820Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.507 ( -0.000 0.000 0.000) 0.000 3.623 ( -0.000 0.000 0.000) 0.000 4.533 ( -0.000 0.000 0.000) 0.000 5.432 ( -0.000 0.000 0.000) 0.000 6.524 ( -0.000 0.000 0.000) 0.000 7.259 ( -0.000 0.000 0.000) 0.000 9.712 ( -0.000 0.000 0.000) 0.000 10.313 ( 0.000 -0.000 0.000) 0.000 10.505 ( -0.000 0.000 0.000) 0.000 11.308 ( -0.000 0.000 0.000) 0.000 12.236 ( -0.000 0.000 -0.000) 0.000 15.901 ( -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 0.00e+00 7.23e-05 Number of triplets: 570Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.235 ( -0.000 -0.000 23.027) 23.027 0.235 ( -0.000 -0.000 23.027) 23.027 0.439 ( -0.000 -0.000 43.069) 43.069 3.913 ( 0.000 0.000 -0.741) 0.741 3.913 ( 0.000 0.000 -0.741) 0.741 7.976 ( -0.000 -0.000 0.349) 0.349 7.976 ( -0.000 -0.000 0.349) 0.349 8.454 ( 0.000 0.000 -3.614) 3.614 11.535 ( 0.000 0.000 -0.263) 0.263 11.535 ( 0.000 0.000 -0.263) 0.263 14.683 ( -0.000 -0.000 1.284) 1.284 15.244 ( 0.000 0.000 -0.535) 0.535======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.716 ( 17.742 10.243 22.729) 30.599 0.752 ( 25.357 14.640 13.092) 32.073 1.156 ( 45.697 26.383 9.858) 53.680 3.920 ( 1.338 0.772 -1.585) 2.213 4.021 ( 8.390 4.844 -0.583) 9.706 7.167 ( -6.598 -3.809 9.270) 11.999 8.032 ( 4.599 2.655 0.931) 5.392 10.303 ( 13.793 7.963 -34.359) 37.871 11.503 ( -2.521 -1.455 -0.639) 2.980 11.519 ( 10.482 6.052 -18.956) 22.491 14.613 ( -6.650 -3.839 2.485) 8.070 16.071 ( 22.451 12.962 -36.648) 44.890======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.199 ( 19.764 11.411 16.482) 28.151 1.358 ( 25.520 14.734 9.638) 31.004 2.217 ( 47.198 27.250 3.618) 54.619 3.960 ( 2.837 1.638 -2.228) 3.961 4.274 ( 14.078 8.128 0.352) 16.260 7.109 ( -1.974 -1.139 1.586) 2.777 8.184 ( 8.667 5.004 1.419) 10.108 10.118 ( -15.321 -8.845 -1.248) 17.735 11.425 ( -4.128 -2.383 -0.958) 4.862 11.783 ( 16.641 9.608 -25.346) 31.806 14.422 ( -11.440 -6.605 5.503) 14.310 16.204 ( 1.768 1.021 -17.418) 17.538======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.692 ( 20.350 11.749 11.376) 26.107 1.934 ( 23.770 13.724 7.551) 28.467 3.246 ( 44.608 25.754 1.404) 51.528 4.028 ( 3.974 2.295 -2.582) 5.266 4.627 ( 17.203 9.932 1.157) 19.898 7.063 ( -2.501 -1.444 -1.258) 3.149 8.419 ( 11.931 6.888 1.764) 13.889 9.779 ( -14.193 -8.194 3.246) 16.707 11.324 ( -4.356 -2.515 -1.185) 5.167 12.017 ( 10.915 6.302 -21.740) 25.129 14.162 ( -14.175 -8.184 10.351) 19.366 16.101 ( -5.537 -3.197 -13.871) 15.274======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.163 ( 19.046 10.996 7.512) 23.240 2.452 ( 20.794 12.005 5.734) 24.686 4.115 ( 4.576 2.642 -2.609) 5.893 4.183 ( 39.501 22.806 -0.514) 45.615 5.024 ( 17.781 10.266 1.915) 20.621 6.983 ( -4.211 -2.431 -2.746) 5.584 8.712 ( 13.589 7.845 1.981) 15.816 9.548 ( -7.329 -4.231 4.204) 9.450 11.237 ( -2.895 -1.671 -1.315) 3.592 12.092 ( 1.835 1.060 -20.230) 20.340 13.874 ( -15.867 -9.161 16.069) 24.370 15.902 ( -7.191 -4.152 -14.421) 16.641======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.573 ( 15.917 9.190 4.399) 18.898 2.887 ( 16.947 9.784 4.030) 19.979 4.209 ( 4.555 2.630 -2.321) 5.749 4.974 ( 32.186 18.583 -2.909) 37.279 5.412 ( 16.348 9.438 2.520) 19.044 6.861 ( -5.807 -3.353 -2.566) 7.180 9.017 ( 12.908 7.453 2.083) 15.050 9.495 ( 1.375 0.794 3.995) 4.299 11.198 ( -0.002 -0.001 -1.364) 1.364 11.960 ( -7.184 -4.148 -20.183) 21.821 13.547 ( -19.688 -11.367 18.625) 29.389 15.733 ( -2.951 -1.704 -13.046) 13.484======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.889 ( 11.636 6.718 1.736) 13.548 3.226 ( 12.676 7.319 2.540) 14.856 4.297 ( 3.954 2.283 -1.772) 4.897 5.578 ( 23.691 13.678 -5.959) 27.998 5.753 ( 13.365 7.716 2.703) 15.668 6.721 ( -6.010 -3.470 -0.071) 6.940 9.280 ( 10.008 5.778 2.018) 11.731 9.630 ( 9.423 5.441 2.843) 11.246 11.229 ( 3.134 1.809 -1.329) 3.855 11.674 ( -11.605 -6.700 -19.066) 23.305 13.108 ( -25.224 -14.563 15.764) 33.119 15.700 ( 3.022 1.745 -8.222) 8.931======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.099 ( 7.189 4.151 -0.618) 8.324 3.465 ( 8.325 4.807 1.377) 9.711 4.369 ( 2.928 1.691 -1.044) 3.539 5.982 ( 15.249 8.804 -10.147) 20.322 6.012 ( 9.048 5.224 2.373) 10.713 6.612 ( -4.240 -2.448 5.294) 7.211 9.466 ( 6.180 3.568 1.717) 7.339 9.911 ( 14.762 8.523 1.265) 17.092 11.315 ( 4.605 2.659 -1.194) 5.450 11.364 ( -10.078 -5.819 -16.358) 20.075 12.561 ( -27.543 -15.902 11.746) 33.904 15.782 ( 5.340 3.083 -3.615) 7.148======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.208 ( 3.291 1.900 -2.670) 4.644 3.605 ( 4.012 2.317 0.527) 4.663 4.418 ( 1.661 0.959 -0.232) 1.932 6.162 ( 4.148 2.395 0.598) 4.827 6.193 ( 7.798 4.502 -13.406) 16.149 6.578 ( -1.782 -1.029 12.092) 12.266 9.568 ( 2.665 1.539 1.218) 3.310 10.250 ( 14.118 8.151 -0.069) 16.302 11.162 ( -2.599 -1.500 -12.941) 13.285 11.405 ( 3.364 1.942 -0.989) 4.008 12.014 ( -23.825 -13.755 9.602) 29.138 15.881 ( 3.778 2.181 -1.164) 4.515======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.231 ( -0.047 -0.027 -4.341) 4.341 3.646 ( -0.302 -0.174 -0.163) 0.385 4.440 ( 0.286 0.165 0.575) 0.663 6.199 ( -0.602 -0.347 -3.061) 3.139 6.274 ( 4.164 2.404 -10.385) 11.444 6.582 ( -2.785 -1.608 14.852) 15.196 9.596 ( -0.369 -0.213 0.646) 0.774 10.425 ( -0.553 -0.319 -1.442) 1.577 11.202 ( 8.604 4.967 -7.164) 12.248 11.443 ( 0.230 0.133 -0.757) 0.802 11.665 ( -6.979 -4.029 6.840) 10.570 15.927 ( 0.514 0.297 0.019) 0.594======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.177 ( -3.420 -1.974 -5.555) 6.816 3.589 ( -4.696 -2.711 -0.889) 5.495 4.434 ( -1.114 -0.643 1.293) 1.825 6.114 ( -5.452 -3.147 -6.590) 9.114 6.308 ( -0.547 -0.316 -2.851) 2.920 6.552 ( -2.880 -1.663 12.632) 13.062 9.556 ( -3.368 -1.945 0.108) 3.891 10.227 ( -14.363 -8.293 -2.384) 16.756 11.393 ( 8.815 5.089 7.770) 12.805 11.410 ( -2.898 -1.673 -0.496) 3.383 11.833 ( 18.961 10.947 -6.274) 22.776 15.909 ( -2.100 -1.213 1.489) 2.846======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.038 ( -7.435 -4.292 -6.303) 10.650 3.431 ( -9.212 -5.319 -1.788) 10.786 4.400 ( -2.459 -1.419 1.851) 3.389 5.917 ( -10.257 -5.922 -7.475) 14.005 6.151 ( -14.036 -8.104 6.395) 17.423 6.608 ( 4.849 2.800 5.209) 7.647 9.444 ( -6.776 -3.912 -0.342) 7.831 9.871 ( -15.474 -8.934 -2.703) 18.071 11.326 ( -4.149 -2.395 -0.182) 4.794 11.677 ( 13.114 7.571 13.357) 20.192 12.297 ( 24.027 13.872 -13.111) 30.686 15.865 ( -2.137 -1.234 4.227) 4.894======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.801 ( -12.113 -6.994 -6.616) 15.473 3.169 ( -13.787 -7.960 -2.857) 16.174 4.339 ( -3.609 -2.084 2.190) 4.708 5.590 ( -18.529 -10.698 -5.587) 22.113 5.781 ( -19.648 -11.344 6.226) 23.526 6.760 ( 6.919 3.995 3.472) 8.712 9.252 ( -10.434 -6.024 -0.687) 12.068 9.568 ( -10.305 -5.949 -3.258) 12.337 11.245 ( -2.748 -1.586 0.175) 3.178 12.022 ( 12.816 7.400 13.655) 20.136 12.767 ( 22.633 13.067 -16.060) 30.675 15.867 ( 0.934 0.539 7.526) 7.603======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.458 ( -16.773 -9.684 -6.482) 20.424 2.803 ( -18.186 -10.500 -3.919) 21.362 4.258 ( -4.375 -2.526 2.279) 5.542 5.016 ( -32.026 -18.490 0.444) 36.983 5.382 ( -17.590 -10.156 0.268) 20.313 6.916 ( 5.875 3.392 2.650) 7.283 8.985 ( -13.153 -7.594 -0.922) 15.216 9.418 ( -1.813 -1.047 -3.589) 4.155 11.218 ( 0.257 0.149 0.496) 0.578 12.288 ( 6.819 3.937 9.815) 12.583 13.196 ( 21.006 12.128 -13.503) 27.761 15.962 ( 4.932 2.847 8.844) 10.519======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.023 ( -20.451 -11.808 -5.712) 24.296 2.342 ( -22.033 -12.721 -4.679) 25.868 4.165 ( -4.590 -2.650 2.108) 5.704 4.212 ( -40.365 -23.304 2.190) 46.660 4.990 ( -17.683 -10.209 -1.270) 20.458 7.026 ( 3.383 1.953 1.457) 4.169 8.680 ( -13.672 -7.893 -1.026) 15.820 9.471 ( 7.572 4.372 -3.357) 9.366 11.257 ( 2.992 1.728 0.676) 3.521 12.375 ( -1.155 -0.667 5.355) 5.519 13.615 ( 19.946 11.516 -7.466) 24.211 16.123 ( 6.603 3.812 6.696) 10.148======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.528 ( -22.516 -13.000 -3.730) 26.266 1.804 ( -24.974 -14.419 -4.804) 29.234 3.265 ( -45.612 -26.334 3.156) 52.763 4.073 ( -4.197 -2.423 1.680) 5.129 4.601 ( -16.758 -9.675 -1.435) 19.403 7.078 ( 1.192 0.688 0.283) 1.406 8.391 ( -11.845 -6.839 -0.961) 13.711 9.717 ( 15.100 8.718 -2.892) 17.674 11.344 ( 4.296 2.480 0.657) 5.004 12.287 ( -7.693 -4.442 2.812) 9.318 14.018 ( 17.638 10.184 -2.612) 20.534 16.275 ( 5.391 3.112 2.213) 6.607======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.017 ( -22.862 -13.199 1.125) 26.422 1.214 ( -26.823 -15.486 -3.790) 31.203 2.232 ( -48.627 -28.075 4.729) 56.348 3.994 ( -3.256 -1.880 1.016) 3.894 4.256 ( -13.472 -7.778 -1.330) 15.613 7.091 ( 0.194 0.112 0.200) 0.300 8.162 ( -8.401 -4.850 -0.691) 9.726 10.093 ( 19.025 10.984 -3.508) 22.246 11.439 ( 3.941 2.275 0.452) 4.573 12.061 ( -12.882 -7.437 -1.507) 14.951 14.362 ( 13.469 7.776 0.188) 15.554 16.364 ( 2.744 1.584 -4.733) 5.696======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.655 ( -0.000 26.102 8.614) 27.487 0.773 ( -0.000 16.430 25.938) 30.703 1.289 ( -0.000 51.583 15.712) 53.923 3.936 ( -0.000 2.537 -0.577) 2.601 3.997 ( -0.000 8.887 -2.006) 9.111 7.195 ( 0.000 -10.795 9.872) 14.629 8.020 ( -0.000 4.651 0.183) 4.655 10.132 ( 0.000 24.542 -37.922) 45.170 11.511 ( 0.000 -2.475 -0.175) 2.481 11.536 ( -0.000 13.730 -16.002) 21.085 14.619 ( 0.000 -7.984 2.813) 8.465 15.935 ( -0.000 29.007 -33.634) 44.415======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.106 ( 12.716 14.790 20.717) 28.454 1.172 ( 20.820 22.167 7.241) 31.262 2.016 ( 21.750 48.329 8.757) 53.716 3.959 ( 0.149 4.135 -1.485) 4.396 4.173 ( 8.731 11.427 -0.831) 14.405 7.129 ( -1.685 -3.408 3.051) 4.875 8.128 ( 5.545 6.996 0.795) 8.962 10.133 ( -1.558 -11.547 -8.829) 14.619 11.439 ( -3.202 -3.052 -1.620) 4.711 11.674 ( 4.660 19.930 -23.663) 31.287 14.493 ( -5.264 -11.003 4.898) 13.144 16.106 ( 5.389 8.116 -21.601) 23.697======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.541 ( 16.185 13.061 15.532) 25.957 1.762 ( 21.464 20.955 5.838) 30.560 2.918 ( 31.711 40.039 3.864) 51.222 4.015 ( 1.600 5.594 -2.019) 6.159 4.478 ( 13.628 12.703 0.398) 18.634 7.081 ( -1.948 -1.985 -0.448) 2.817 8.334 ( 8.974 9.735 1.512) 13.326 9.880 ( -9.107 -14.688 1.168) 17.322 11.348 ( -2.998 -3.866 -1.411) 5.092 11.869 ( 7.484 13.781 -23.831) 28.529 14.283 ( -8.677 -12.737 8.792) 17.743 16.099 ( -2.392 -0.481 -15.554) 15.745======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.985 ( 17.546 11.206 10.425) 23.283 2.311 ( 18.539 20.162 4.652) 27.782 3.812 ( 32.565 29.541 -0.284) 43.968 4.112 ( 3.536 9.516 -1.146) 10.217 4.853 ( 16.086 12.398 1.513) 20.366 7.013 ( -3.317 -2.386 -2.332) 4.705 8.613 ( 10.990 12.050 2.092) 16.443 9.624 ( -7.390 -9.579 3.424) 12.573 11.264 ( -2.774 -2.377 -1.361) 3.898 11.984 ( 4.297 4.355 -21.970) 22.805 14.034 ( -10.487 -13.676 14.025) 22.219 15.940 ( -7.420 -3.128 -14.820) 16.866======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.394 ( 16.644 8.519 6.297) 19.730 2.788 ( 14.577 18.910 3.129) 24.081 4.179 ( 4.123 6.447 -3.215) 8.300 4.661 ( 29.057 26.043 -0.913) 39.030 5.244 ( 16.287 10.960 2.482) 19.787 6.909 ( -4.883 -3.179 -2.652) 6.402 8.928 ( 10.942 13.185 2.599) 17.330 9.500 ( -1.218 -3.095 3.547) 4.863 11.212 ( -1.499 0.397 -1.374) 2.072 11.928 ( -2.561 -3.771 -21.363) 21.844 13.758 ( -13.380 -15.169 17.935) 27.033 15.740 ( -6.114 -2.356 -14.273) 15.705======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.732 ( 13.998 5.366 2.791) 15.249 3.173 ( 9.975 17.095 1.712) 19.866 4.288 ( 2.477 7.263 -2.326) 8.019 5.311 ( 24.087 18.417 -4.631) 30.673 5.607 ( 14.559 8.837 3.107) 17.313 6.782 ( -5.481 -3.414 -0.778) 6.504 9.229 ( 8.614 12.935 2.975) 15.823 9.552 ( 6.056 2.961 2.382) 7.149 11.216 ( 0.489 2.780 -1.346) 3.127 11.705 ( -7.993 -7.628 -20.440) 23.235 13.389 ( -19.856 -17.400 16.651) 31.213 15.637 ( 0.785 -0.395 -10.275) 10.312======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.976 ( 10.379 2.374 -0.352) 10.653 3.457 ( 5.287 14.789 0.763) 15.724 4.383 ( 0.987 7.799 -1.478) 7.999 5.773 ( 17.125 11.378 -8.887) 22.398 5.906 ( 11.183 6.190 3.186) 13.173 6.673 ( -4.237 -2.654 3.698) 6.219 9.472 ( 4.488 12.760 2.793) 13.811 9.760 ( 12.308 6.656 0.705) 14.010 11.232 ( -0.630 -3.405 -4.313) 5.532 11.454 ( -6.082 -0.078 -14.864) 16.060 12.886 ( -25.405 -17.870 12.445) 33.461 15.676 ( 6.472 -0.208 -5.023) 8.195======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.121 ( 6.587 -0.111 -3.127) 7.293 3.639 ( 0.900 12.326 0.362) 12.364 4.457 ( -0.811 7.949 -0.612) 8.014 6.041 ( 10.103 5.681 -13.460) 17.763 6.110 ( 6.623 3.316 2.841) 7.933 6.628 ( -1.465 -1.563 9.901) 10.130 9.635 ( -0.756 12.956 2.139) 13.153 10.071 ( 15.942 7.639 -0.908) 17.701 11.068 ( -2.428 -10.907 -10.602) 15.403 11.455 ( -0.090 9.380 -4.686) 10.486 12.328 ( -25.828 -15.157 9.565) 31.438 15.778 ( 7.548 -1.952 -1.800) 8.002======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.176 ( 3.140 -2.195 -5.288) 6.530 3.727 ( -3.331 10.114 0.191) 10.650 4.503 ( -2.671 7.587 0.208) 8.046 6.144 ( 4.282 1.279 -14.158) 14.846 6.217 ( 3.167 1.784 1.395) 3.893 6.641 ( -0.720 -2.007 13.792) 13.956 9.710 ( -5.490 12.277 1.358) 13.518 10.363 ( 9.661 4.027 -1.897) 10.637 10.973 ( 7.286 -7.962 -8.234) 13.575 11.522 ( -0.652 8.061 -3.190) 8.694 11.864 ( -18.650 -6.975 8.513) 21.655 15.856 ( 5.478 -4.310 -0.435) 6.984======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.150 ( -0.050 -4.236 -6.622) 7.861 3.723 ( -7.794 8.241 -0.184) 11.344 4.515 ( -4.342 6.707 0.967) 8.048 6.115 ( -1.537 -2.824 -10.975) 11.436 6.283 ( 2.619 1.807 -0.817) 3.285 6.631 ( -3.269 -3.669 14.428) 15.242 9.698 ( -9.009 9.658 0.612) 13.222 10.354 ( -8.972 -4.902 -2.500) 10.525 11.095 ( 15.217 -6.741 -1.906) 16.752 11.624 ( 2.284 14.457 -6.020) 15.826 11.680 ( -1.388 0.580 7.569) 7.717 15.873 ( 2.723 -5.959 0.587) 6.578======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.047 ( -3.534 -6.456 -7.133) 10.249 3.623 ( -12.653 6.392 -0.955) 14.208 4.494 ( -5.717 5.445 1.610) 8.057 5.972 ( -6.479 -5.802 -9.340) 12.762 6.282 ( -5.638 -2.758 2.594) 6.791 6.598 ( -0.063 -1.477 10.338) 10.443 9.601 ( -11.438 5.304 0.062) 12.608 10.051 ( -16.443 -7.437 -2.327) 18.196 11.256 ( 8.840 -5.149 0.916) 10.272 11.683 ( 0.328 10.165 8.045) 12.968 11.995 ( 21.521 10.873 -9.537) 25.929 15.851 ( 1.425 -5.785 2.480) 6.453======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.858 ( -7.758 -8.659 -6.973) 13.557 3.417 ( -17.726 4.196 -1.977) 18.323 4.441 ( -6.753 3.984 2.023) 8.098 5.726 ( -11.819 -8.101 -8.213) 16.516 6.030 ( -18.332 -9.195 7.111) 21.707 6.692 ( 6.350 2.267 4.803) 8.279 9.420 ( -13.340 0.162 -0.403) 13.347 9.716 ( -14.921 -4.512 -2.305) 15.758 11.272 ( -1.383 -1.399 -0.526) 2.037 11.921 ( 11.737 7.448 11.241) 17.877 12.440 ( 23.740 10.050 -13.325) 29.020 15.849 ( 2.664 -3.418 5.139) 6.722======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.575 ( -12.622 -10.304 -6.234) 17.446 3.101 ( -22.588 1.676 -2.915) 22.837 4.362 ( -7.347 2.491 2.116) 8.041 5.336 ( -23.073 -11.528 -4.672) 26.213 5.608 ( -21.151 -10.455 4.860) 24.089 6.846 ( 7.108 2.591 2.924) 8.111 9.170 ( -14.847 -2.674 -0.549) 15.096 9.477 ( -8.811 -1.289 -2.627) 9.284 11.233 ( -1.751 0.519 -0.323) 1.855 12.206 ( 10.556 3.665 7.302) 13.348 12.880 ( 23.717 8.678 -11.196) 27.625 15.919 ( 5.450 -0.117 6.680) 8.622======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.204 ( -17.464 -10.791 -4.726) 21.066 2.684 ( -26.784 -0.610 -3.419) 27.008 4.263 ( -7.339 1.120 1.872) 7.656 4.690 ( -37.388 -15.060 0.481) 40.310 5.199 ( -18.626 -8.723 0.207) 20.569 6.979 ( 5.172 1.658 1.556) 5.649 8.877 ( -16.507 -3.366 -0.470) 16.853 9.407 ( 1.555 1.730 -2.669) 3.540 11.235 ( 1.116 1.179 0.041) 1.624 12.359 ( 4.019 -0.269 1.441) 4.277 13.324 ( 23.389 7.965 -5.231) 25.256 16.059 ( 7.214 1.866 5.217) 9.096======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.769 ( -21.412 -9.575 -1.851) 23.528 2.187 ( -30.038 -1.828 -3.108) 30.254 3.849 ( -46.101 -15.282 2.289) 48.622 4.156 ( -6.643 0.003 1.312) 6.771 4.814 ( -18.563 -6.743 -0.880) 19.770 7.056 ( 2.525 0.583 0.356) 2.616 8.572 ( -15.827 -3.067 -0.403) 16.126 9.541 ( 11.631 4.435 -2.096) 12.623 11.288 ( 3.821 0.870 0.205) 3.924 12.350 ( -3.096 -2.464 -2.212) 4.533 13.762 ( 21.754 6.629 -0.511) 22.748 16.206 ( 6.618 1.739 1.048) 6.922======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.317 ( -23.774 -5.856 3.602) 24.748 1.646 ( -32.198 -0.905 -1.343) 32.238 2.908 ( -51.936 -12.094 3.431) 53.436 4.055 ( -5.320 -0.779 0.411) 5.393 4.459 ( -17.454 -3.511 -0.833) 17.823 7.085 ( 0.880 0.111 0.033) 0.888 8.307 ( -12.885 -1.625 -0.137) 12.988 9.839 ( 18.582 5.071 -1.649) 19.332 11.370 ( 5.081 0.016 0.069) 5.081 12.197 ( -10.256 -3.450 -6.688) 12.721 14.154 ( 18.448 4.201 2.106) 19.038 16.304 ( 4.199 0.645 -4.930) 6.508======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.221 ( -0.000 27.861 4.478) 28.219 1.255 ( -0.000 17.335 20.195) 26.615 2.379 ( -0.000 52.496 8.757) 53.221 4.000 ( -0.000 4.333 -0.494) 4.361 4.224 ( -0.000 15.842 -1.685) 15.931 7.117 ( 0.000 -3.266 1.985) 3.822 8.158 ( -0.000 9.587 0.343) 9.593 9.989 ( 0.000 -14.074 -6.324) 15.429 11.442 ( 0.000 -4.432 -0.255) 4.439 11.756 ( -0.000 19.771 -24.150) 31.211 14.429 ( 0.000 -14.399 5.840) 15.538 16.078 ( 0.000 8.265 -19.042) 20.758======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.538 ( 7.535 16.167 16.846) 24.535 1.664 ( 16.748 24.973 3.313) 30.251 3.002 ( 12.585 48.326 5.019) 50.189 4.050 ( 0.886 6.015 -0.852) 6.139 4.444 ( 7.038 17.223 -0.414) 18.610 7.085 ( -1.099 -2.243 -0.130) 2.501 8.315 ( 5.960 11.934 0.962) 13.374 9.811 ( -2.078 -16.834 -0.685) 16.975 11.360 ( -3.376 -4.144 -1.144) 5.466 11.862 ( 1.784 14.768 -23.482) 27.797 14.272 ( -3.682 -16.418 8.529) 18.864 16.077 ( -0.590 2.369 -15.498) 15.690======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.894 ( 11.877 13.313 12.692) 21.895 2.215 ( 19.446 22.997 2.444) 30.215 3.704 ( 18.920 37.824 -0.277) 42.293 4.155 ( 3.530 10.609 0.074) 11.181 4.763 ( 11.121 16.584 1.280) 20.008 7.032 ( -2.474 -2.296 -1.767) 3.809 8.579 ( 9.535 14.532 2.030) 17.499 9.616 ( -3.559 -13.072 2.067) 13.705 11.271 ( -2.197 -3.094 -1.833) 4.214 11.917 ( 1.190 6.467 -22.158) 23.113 14.063 ( -5.919 -17.509 12.515) 22.321 15.979 ( -5.616 -1.325 -14.224) 15.349======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.255 ( 13.401 10.048 8.252) 18.671 2.741 ( 16.632 22.072 1.671) 27.688 4.156 ( 6.724 11.945 -5.373) 14.723 4.532 ( 19.070 28.600 1.512) 34.408 5.124 ( 12.993 14.876 2.800) 19.949 6.946 ( -4.049 -2.878 -2.254) 5.455 8.908 ( 10.423 16.502 3.343) 19.802 9.487 ( -1.037 -6.007 2.359) 6.536 11.225 ( -0.317 -0.477 -2.071) 2.149 11.858 ( -2.050 -2.340 -21.519) 21.743 13.826 ( -7.818 -18.712 16.332) 26.038 15.793 ( -8.157 -2.000 -13.806) 16.160======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.574 ( 12.766 6.325 4.210) 14.856 3.191 ( 11.773 21.410 0.733) 24.444 4.316 ( 3.408 10.198 -4.060) 11.493 5.120 ( 20.581 21.572 -2.769) 29.943 5.485 ( 12.783 12.649 3.643) 18.349 6.834 ( -4.945 -3.074 -0.913) 5.894 9.239 ( 8.688 15.306 4.972) 18.289 9.501 ( 4.170 2.981 0.553) 5.156 11.239 ( 0.858 3.462 -1.831) 4.009 11.665 ( -5.693 -8.345 -21.097) 23.391 13.533 ( -12.484 -20.446 16.827) 29.275 15.620 ( -4.463 -1.298 -11.294) 12.213======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.822 ( 10.728 2.678 0.532) 11.070 3.542 ( 6.111 20.488 0.108) 21.380 4.450 ( 1.807 11.138 -2.992) 11.674 5.582 ( 16.882 12.840 -6.258) 22.114 5.801 ( 10.742 9.364 3.385) 14.647 6.730 ( -4.370 -2.455 2.523) 5.611 9.515 ( 8.368 10.767 4.826) 14.466 9.676 ( 6.613 12.634 -0.987) 14.294 11.251 ( -5.372 -0.745 -4.610) 7.118 11.446 ( -0.545 -2.388 -16.025) 16.211 13.121 ( -19.283 -20.633 13.416) 31.266 15.562 ( 2.741 -2.011 -6.472) 7.311======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.984 ( 7.994 -0.388 -2.696) 8.445 3.787 ( 0.547 19.202 0.080) 19.210 4.566 ( -0.313 11.952 -1.859) 12.100 5.881 ( 11.286 6.870 -10.782) 17.054 6.035 ( 7.887 4.816 3.574) 9.908 6.670 ( -2.221 -1.756 7.401) 7.924 9.779 ( 7.027 13.588 3.543) 15.703 9.914 ( 7.930 12.848 -2.315) 15.274 11.018 ( -7.873 -9.721 -10.311) 16.211 11.504 ( 2.848 8.716 -6.038) 10.979 12.616 ( -22.998 -17.513 9.678) 30.485 15.606 ( 7.464 -4.721 -2.557) 9.194======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.064 ( 5.043 -2.662 -5.165) 7.694 3.932 ( -4.399 17.648 0.391) 18.192 4.651 ( -2.951 12.258 -0.726) 12.629 6.023 ( 6.029 2.436 -14.125) 15.549 6.181 ( 4.548 1.862 3.574) 6.077 6.667 ( -0.111 -2.462 11.612) 11.871 9.980 ( -4.507 20.059 2.933) 20.768 10.187 ( 14.107 6.745 -4.555) 16.287 10.814 ( -1.085 -8.920 -6.933) 11.349 11.589 ( -0.733 6.134 -3.301) 7.005 12.144 ( -19.742 -8.733 6.882) 22.658 15.675 ( 8.250 -7.867 -0.747) 11.424======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.068 ( 2.002 -4.280 -6.587) 8.107 3.983 ( -8.940 15.809 0.441) 18.167 4.695 ( -5.635 11.866 0.364) 13.141 6.044 ( 1.833 -1.941 -13.572) 13.832 6.260 ( 2.540 1.470 2.034) 3.571 6.674 ( -0.889 -4.328 13.435) 14.143 10.022 ( -12.874 17.403 0.866) 21.665 10.381 ( 3.075 0.271 -3.961) 5.022 10.810 ( 10.528 -3.321 -2.887) 11.411 11.577 ( 0.723 -0.963 0.221) 1.225 11.906 ( -10.161 6.306 2.326) 12.183 15.715 ( 6.887 -9.922 0.054) 12.078======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.004 ( -1.353 -5.510 -6.921) 8.950 3.938 ( -13.544 13.449 -0.123) 19.088 4.694 ( -7.919 10.735 1.310) 13.404 5.957 ( -2.655 -5.709 -11.222) 12.867 6.311 ( 0.775 0.806 0.835) 1.395 6.637 ( -2.773 -5.115 12.812) 14.071 9.906 ( -15.918 8.919 -0.320) 18.249 10.248 ( -13.298 -2.985 -1.882) 13.758 11.028 ( 14.333 1.888 0.626) 14.471 11.716 ( 14.033 1.961 1.078) 14.210 11.865 ( -4.503 10.163 -2.406) 11.374 15.723 ( 5.633 -9.767 1.146) 11.333======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.870 ( -5.325 -6.411 -6.331) 10.466 3.787 ( -18.352 10.406 -1.102) 21.126 4.648 ( -9.574 8.872 1.867) 13.186 5.778 ( -7.017 -7.612 -9.083) 13.772 6.230 ( -10.978 -5.069 4.286) 12.829 6.635 ( 3.366 -0.917 7.282) 8.074 9.674 ( -16.456 0.235 -0.827) 16.479 9.966 ( -17.458 0.862 -0.590) 17.489 11.243 ( 5.789 4.090 -0.365) 7.097 11.884 ( 3.694 4.528 9.063) 10.784 12.096 ( 21.797 6.580 -11.361) 25.446 15.740 ( 5.949 -7.111 2.811) 9.688======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.661 ( -9.962 -6.682 -4.974) 12.986 3.521 ( -23.067 6.969 -1.974) 24.178 4.560 ( -10.434 6.338 1.819) 12.343 5.515 ( -12.824 -7.819 -7.095) 16.611 5.901 ( -21.400 -8.538 5.864) 23.775 6.753 ( 7.313 1.121 3.332) 8.114 9.393 ( -14.857 -2.498 -0.649) 15.080 9.692 ( -16.930 2.228 -0.653) 17.089 11.286 ( -2.892 3.535 -1.500) 4.808 12.073 ( 10.599 2.289 3.768) 11.479 12.513 ( 24.746 5.442 -6.486) 26.155 15.813 ( 7.584 -3.313 3.809) 9.111======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.381 ( -14.886 -5.768 -2.791) 16.206 3.146 ( -27.172 3.877 -2.266) 27.541 4.438 ( -10.336 3.409 1.119) 10.941 5.116 ( -25.976 -7.594 -3.323) 27.266 5.458 ( -22.105 -7.640 3.451) 23.641 6.895 ( 7.043 0.873 1.425) 7.239 9.130 ( -15.381 -1.357 0.245) 15.442 9.472 ( -9.616 1.434 -1.343) 9.815 11.257 ( -2.450 2.122 -1.001) 3.392 12.248 ( 8.489 -0.454 -3.064) 9.036 12.970 ( 25.264 5.145 -0.110) 25.783 15.945 ( 8.807 -0.776 2.522) 9.194======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.047 ( -19.330 -3.045 0.542) 19.576 2.689 ( -30.176 1.970 -1.604) 30.283 4.293 ( -9.768 0.379 -0.878) 9.815 4.482 ( -40.116 -6.026 1.501) 40.594 5.075 ( -18.953 -3.704 0.544) 19.320 7.001 ( 4.759 0.114 0.028) 4.761 8.841 ( -18.026 -0.664 0.647) 18.050 9.433 ( 3.484 1.849 -0.911) 4.048 11.254 ( 0.799 0.765 -0.529) 1.226 12.318 ( 2.982 -1.349 -6.899) 7.636 13.434 ( 24.148 3.951 4.065) 24.804 16.088 ( 8.388 -0.573 -1.126) 8.482======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.701 ( -22.246 1.904 5.354) 22.960 2.188 ( -31.636 2.118 0.486) 31.710 3.692 ( -48.154 -1.362 0.761) 48.179 4.157 ( -7.873 -0.873 -0.156) 7.923 4.748 ( -18.770 0.675 0.284) 18.784 7.057 ( 2.500 -0.311 -0.662) 2.605 8.549 ( -16.575 0.390 0.794) 16.599 9.595 ( 13.345 1.353 0.326) 13.417 11.293 ( 3.607 -0.169 -0.500) 3.645 12.270 ( -4.208 -1.008 -10.420) 11.282 13.860 ( 21.505 1.552 6.163) 22.424 16.192 ( 6.661 -1.596 -5.851) 9.008======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.697 ( -0.000 16.351 14.297) 21.719 1.772 ( -0.000 26.825 2.886) 26.980 3.388 ( -0.000 47.817 2.995) 47.911 4.091 ( -0.000 5.490 -0.531) 5.516 4.575 ( -0.000 21.193 0.333) 21.195 7.073 ( 0.000 -2.062 -0.609) 2.150 8.389 ( -0.000 13.950 0.876) 13.977 9.666 ( 0.000 -15.775 0.437) 15.782 11.345 ( 0.000 -5.105 -0.566) 5.136 11.895 ( 0.000 10.806 -24.012) 26.331 14.162 ( 0.000 -18.706 9.888) 21.159 16.059 ( 0.000 2.219 -14.007) 14.181======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.931 ( 5.001 14.419 11.677) 19.216 2.160 ( 13.899 24.649 1.793) 28.354 3.879 ( 5.810 39.404 -1.673) 39.865 4.181 ( 4.459 8.897 0.190) 9.953 4.830 ( 4.302 22.623 2.339) 23.147 7.038 ( -1.446 -2.163 -1.412) 2.960 8.593 ( 6.631 15.846 1.676) 17.259 9.527 ( -0.562 -12.417 2.023) 12.593 11.271 ( -2.391 -4.096 -1.525) 4.982 11.891 ( -0.099 4.358 -23.047) 23.455 13.991 ( -2.458 -20.013 12.384) 23.663 16.003 ( -3.224 0.228 -12.939) 13.336======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.203 ( 8.499 11.069 8.326) 16.250 2.665 ( 18.032 22.508 1.019) 28.858 4.185 ( 3.103 14.803 -5.284) 16.022 4.524 ( 14.238 25.438 -0.100) 29.151 5.151 ( 6.515 22.614 4.186) 23.903 6.972 ( -3.084 -2.544 -1.675) 4.335 8.910 ( 10.475 17.649 3.423) 20.807 9.438 ( 0.385 -6.276 2.103) 6.630 11.204 ( -0.416 -2.155 -3.016) 3.730 11.807 ( -2.438 -2.289 -21.404) 21.664 13.784 ( -4.257 -21.189 15.018) 26.318 15.866 ( -7.349 -0.971 -12.374) 14.425======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.466 ( 9.730 7.200 4.592) 12.946 3.168 ( 16.291 21.502 0.514) 26.981 4.345 ( 3.676 11.926 -5.201) 13.521 5.000 ( 16.687 18.829 -2.477) 25.281 5.491 ( 6.964 20.974 4.428) 22.540 6.881 ( -4.249 -2.512 -0.603) 4.973 9.256 ( 8.346 13.602 6.340) 17.171 9.468 ( 5.319 5.881 -0.400) 7.939 11.209 ( 3.625 0.707 -4.420) 5.760 11.621 ( -6.124 -6.950 -19.559) 21.642 13.537 ( -6.914 -22.729 16.047) 28.669 15.680 ( -8.206 -1.141 -10.844) 13.647======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.686 ( 9.259 3.375 1.013) 9.906 3.607 ( 11.364 21.411 0.246) 24.241 4.504 ( 3.461 12.341 -4.952) 13.741 5.406 ( 16.207 10.784 -3.299) 19.744 5.791 ( 5.720 16.066 2.806) 17.283 6.789 ( -4.360 -1.726 1.993) 5.095 9.456 ( 6.990 4.997 2.818) 9.043 9.738 ( 7.682 19.810 1.912) 21.333 11.310 ( 7.338 4.494 -5.897) 10.431 11.353 ( -9.510 -8.082 -16.397) 20.607 13.213 ( -11.861 -23.363 14.145) 29.776 15.527 ( -4.044 -2.100 -7.388) 8.680======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.842 ( 7.753 0.176 -2.083) 8.030 3.950 ( 4.834 21.580 0.386) 22.118 4.659 ( 2.415 12.834 -4.116) 13.693 5.717 ( 13.085 6.129 -5.611) 15.500 5.999 ( 4.266 8.560 2.153) 9.803 6.724 ( -3.391 -1.096 5.376) 6.450 9.663 ( 11.387 6.260 -1.618) 13.095 10.040 ( 4.000 20.482 3.921) 21.234 11.060 ( -10.480 -7.116 -13.062) 18.195 11.483 ( 7.238 8.660 -5.497) 12.553 12.799 ( -16.790 -20.965 10.621) 28.883 15.460 ( 2.128 -5.203 -3.496) 6.620======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.934 ( 5.714 -2.055 -4.375) 7.484 4.182 ( -1.864 21.216 0.756) 21.311 4.797 ( 0.311 13.302 -2.615) 13.561 5.905 ( 6.871 3.644 -10.981) 13.456 6.131 ( 4.712 2.176 4.425) 6.820 6.690 ( -1.702 -2.237 8.540) 8.991 9.933 ( 14.695 6.241 -5.570) 16.909 10.294 ( 0.810 21.238 5.251) 21.892 10.798 ( -8.956 -5.395 -8.436) 13.434 11.636 ( 1.941 7.789 -4.237) 9.076 12.369 ( -16.743 -13.492 7.016) 22.619 15.458 ( 6.442 -9.251 -1.107) 11.327======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.965 ( 3.339 -3.318 -5.631) 7.339 4.301 ( -7.711 19.702 0.836) 21.174 4.900 ( -3.112 13.830 -0.603) 14.189 5.948 ( 2.064 -0.697 -12.969) 13.151 6.230 ( 3.800 0.688 3.442) 5.174 6.676 ( -0.167 -4.752 11.097) 12.073 10.201 ( 13.111 3.596 -7.521) 15.537 10.446 ( -12.924 17.873 0.344) 22.059 10.678 ( 5.258 0.703 1.323) 5.467 11.613 ( -6.446 -1.763 -0.251) 6.688 12.111 ( -8.588 1.658 1.502) 8.874 15.477 ( 8.146 -12.084 -0.166) 14.574======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.944 ( 0.537 -3.830 -5.804) 6.975 4.308 ( -12.802 16.837 0.306) 21.153 4.949 ( -7.261 13.832 1.328) 15.678 5.886 ( -0.579 -5.608 -11.812) 13.089 6.296 ( 2.393 1.172 0.874) 2.804 6.655 ( -0.877 -6.484 11.920) 13.597 10.250 ( -16.666 4.463 -2.198) 17.392 10.342 ( 0.946 -0.661 -5.097) 5.226 10.919 ( 8.198 15.037 5.990) 18.144 11.543 ( 4.583 -1.713 -0.697) 4.942 12.039 ( -6.771 5.433 -1.319) 8.780 15.497 ( 8.543 -12.153 0.411) 14.861======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.870 ( -2.881 -3.757 -4.988) 6.877 4.198 ( -17.568 12.762 -0.602) 21.723 4.929 ( -10.969 12.119 2.192) 16.492 5.754 ( -2.912 -7.807 -9.431) 12.585 6.316 ( -2.267 -0.849 0.452) 2.463 6.614 ( -0.347 -5.017 9.704) 10.930 9.953 ( -18.555 -1.604 -1.585) 18.692 10.243 ( -11.371 1.541 -0.880) 11.508 11.219 ( 6.615 16.257 2.729) 17.762 11.746 ( 18.986 0.973 -1.516) 19.072 11.961 ( -4.927 0.919 -2.003) 5.398 15.541 ( 9.040 -9.268 1.166) 12.999======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.742 ( -6.957 -3.013 -3.318) 8.276 3.966 ( -21.974 8.092 -1.355) 23.456 4.832 ( -13.022 7.995 1.480) 15.352 5.583 ( -6.414 -6.069 -6.328) 10.864 6.154 ( -14.382 -5.045 2.967) 15.528 6.656 ( 5.638 -1.079 4.319) 7.183 9.626 ( -17.036 -2.620 -0.737) 17.252 10.019 ( -17.358 2.604 0.267) 17.554 11.398 ( -2.976 11.437 -1.765) 11.949 11.934 ( 5.834 -2.774 -4.582) 7.920 12.133 ( 24.225 2.708 3.122) 24.575 15.634 ( 9.929 -5.142 1.401) 11.270======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.561 ( -11.405 -1.266 -0.883) 11.509 3.621 ( -25.661 3.886 -1.515) 25.998 4.667 ( -13.009 2.819 -0.156) 13.312 5.373 ( -13.031 -1.886 -3.272) 13.567 5.795 ( -22.888 -5.175 2.982) 23.654 6.777 ( 7.761 -0.365 1.448) 7.903 9.352 ( -13.766 -1.076 0.448) 13.815 9.734 ( -18.470 1.420 -0.149) 18.525 11.360 ( -7.168 4.002 -1.649) 8.373 12.050 ( 11.571 -1.841 -9.459) 15.058 12.598 ( 25.527 3.308 7.737) 26.878 15.772 ( 10.354 -2.350 -0.078) 10.618======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.340 ( -15.606 1.847 2.263) 15.877 3.190 ( -28.288 1.210 -0.786) 28.324 4.465 ( -11.638 -1.013 -1.908) 11.836 5.041 ( -28.097 1.538 -0.351) 28.142 5.384 ( -21.251 -1.407 1.738) 21.368 6.899 ( 6.998 -0.796 -0.321) 7.051 9.126 ( -15.031 0.206 1.827) 15.143 9.489 ( -9.714 0.587 -0.487) 9.744 11.281 ( -3.706 0.575 -0.863) 3.849 12.176 ( 9.019 -0.893 -12.026) 15.059 13.078 ( 24.944 2.260 10.447) 27.138 15.915 ( 9.614 -2.066 -3.504) 10.439======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.104 ( -18.759 6.275 5.811) 20.616 2.717 ( -29.436 0.984 1.110) 29.473 4.256 ( -11.454 -1.292 -4.056) 12.220 4.489 ( -39.129 4.541 1.970) 39.441 5.084 ( -18.314 3.942 1.259) 18.776 6.985 ( 4.945 -1.215 -1.486) 5.305 8.853 ( -18.096 0.975 1.787) 18.210 9.454 ( 4.028 0.262 1.187) 4.207 11.252 ( 0.466 -0.602 -0.700) 1.034 12.235 ( 3.325 0.161 -13.767) 14.164 13.526 ( 22.894 -0.099 11.834) 25.772 16.018 ( 8.195 -3.335 -7.800) 11.796======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.063 ( -0.000 13.466 8.561) 15.957 2.283 ( -0.000 24.534 2.168) 24.630 4.198 ( -0.000 5.888 -0.663) 5.925 4.207 ( -0.000 36.873 -3.978) 37.087 5.049 ( -0.000 26.805 4.262) 27.142 7.026 ( 0.000 -2.186 -1.331) 2.559 8.694 ( -0.000 16.634 1.630) 16.713 9.434 ( 0.000 -8.858 3.011) 9.355 11.248 ( 0.000 -4.165 -1.078) 4.303 11.833 ( 0.000 -0.265 -23.999) 24.001 13.855 ( 0.000 -21.442 13.290) 25.227 15.995 ( 0.000 0.505 -11.669) 11.680======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.235 ( 3.538 10.828 6.175) 12.957 2.624 ( 12.038 22.412 1.413) 25.479 4.260 ( 1.110 8.490 -2.226) 8.847 4.574 ( 7.542 26.700 -5.020) 28.195 5.349 ( 1.915 28.090 5.219) 28.635 6.986 ( -1.745 -2.225 -1.112) 3.039 8.931 ( 7.806 17.415 2.667) 19.270 9.387 ( 0.542 -3.645 3.219) 4.893 11.190 ( -1.753 -2.773 -2.406) 4.068 11.725 ( -0.466 -4.962 -22.549) 23.094 13.674 ( -1.934 -22.607 14.388) 26.867 15.923 ( -4.474 0.071 -10.736) 11.631======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.420 ( 5.991 7.275 3.586) 10.084 3.083 ( 17.246 20.219 0.757) 26.586 4.381 ( 3.653 10.191 -3.688) 11.437 4.924 ( 10.969 17.489 -4.386) 21.105 5.663 ( 2.243 25.817 4.288) 26.266 6.922 ( -3.186 -1.678 -0.078) 3.602 9.268 ( 8.824 14.280 6.083) 17.855 9.430 ( 5.654 6.112 0.236) 8.329 11.141 ( 0.694 -1.871 -5.550) 5.898 11.572 ( -2.651 -6.747 -18.673) 20.031 13.453 ( -3.922 -23.916 14.773) 28.383 15.780 ( -8.230 -0.293 -9.482) 12.559======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.589 ( 6.886 3.700 0.827) 7.861 3.563 ( 17.089 19.037 0.561) 25.588 4.542 ( 4.361 12.060 -4.970) 13.753 5.242 ( 13.163 9.545 -2.676) 16.479 5.924 ( 0.966 19.814 2.115) 19.950 6.855 ( -3.924 -0.265 1.934) 4.383 9.431 ( 3.099 5.951 2.387) 7.122 9.768 ( 12.893 19.181 3.107) 23.319 11.142 ( 5.348 -3.985 -11.902) 13.644 11.407 ( -4.476 -1.757 -10.853) 11.870 13.179 ( -6.804 -24.800 13.688) 29.132 15.599 ( -8.807 -1.092 -7.182) 11.417======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.721 ( 6.580 0.753 -1.598) 6.813 4.003 ( 13.207 19.051 0.898) 23.199 4.713 ( 3.682 13.036 -5.686) 14.691 5.526 ( 13.905 4.251 -1.832) 14.656 6.080 ( -0.988 11.772 0.657) 11.831 6.802 ( -4.265 0.880 4.073) 5.963 9.571 ( 6.321 7.319 -2.342) 9.950 10.140 ( 8.130 17.140 5.864) 19.856 11.078 ( -2.414 -4.887 -15.588) 16.514 11.421 ( 6.106 7.470 -4.359) 10.587 12.844 ( -10.416 -23.731 11.298) 28.272 15.434 ( -5.709 -3.542 -4.154) 7.899======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.811 ( 5.534 -1.196 -3.333) 6.570 4.360 ( 6.337 19.947 1.676) 20.997 4.872 ( 3.063 12.351 -5.381) 13.816 5.763 ( 11.392 2.527 -4.258) 12.422 6.136 ( -1.091 4.047 2.108) 4.692 6.750 ( -4.401 -0.252 5.528) 7.070 9.763 ( 10.148 6.917 -6.739) 14.009 10.405 ( 5.846 10.691 7.531) 14.324 10.930 ( -8.871 4.050 -9.567) 13.661 11.627 ( 7.824 9.828 -5.517) 13.720 12.477 ( -11.934 -18.890 8.424) 23.880 15.317 ( -0.749 -7.621 -1.643) 7.832======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.861 ( 4.015 -2.105 -4.205) 6.183 4.592 ( -2.605 20.102 1.819) 20.352 5.020 ( 2.981 11.350 -3.209) 12.166 5.887 ( 2.413 2.243 -9.938) 10.470 6.172 ( 3.474 -1.371 5.227) 6.424 6.689 ( -3.189 -3.451 7.099) 8.513 9.982 ( 12.554 4.221 -9.040) 16.036 10.608 ( 6.869 2.851 4.739) 8.819 10.810 ( -11.713 13.181 -0.879) 17.655 11.729 ( -4.957 4.825 -3.040) 7.556 12.217 ( -5.151 -5.696 3.200) 8.320 15.251 ( 4.077 -11.290 -0.343) 12.008======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.877 ( 2.040 -2.145 -4.188) 5.129 4.666 ( -10.107 16.910 0.604) 19.710 5.160 ( -0.135 12.893 0.841) 12.921 5.826 ( -3.599 -3.529 -10.610) 11.746 6.252 ( 4.606 -0.250 1.820) 4.959 6.635 ( -0.813 -6.459 8.965) 11.079 10.181 ( 11.264 0.766 -7.356) 13.474 10.543 ( -14.141 2.334 -4.677) 15.077 10.960 ( 9.336 11.481 11.718) 18.876 11.597 ( -10.196 3.538 -1.570) 10.906 12.164 ( -3.756 2.490 -1.690) 4.812 15.237 ( 7.881 -11.947 0.136) 14.313======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.859 ( -0.515 -1.495 -3.326) 3.683 4.590 ( -15.351 11.517 -0.541) 19.199 5.238 ( -8.477 14.363 3.663) 17.076 5.674 ( -1.891 -8.779 -9.311) 12.936 6.313 ( 1.982 0.795 -1.520) 2.621 6.594 ( -0.046 -6.988 9.041) 11.427 10.251 ( -18.365 -0.393 -1.810) 18.458 10.297 ( 2.654 -0.294 -4.172) 4.954 11.314 ( 13.898 12.029 12.045) 21.976 11.529 ( -1.239 6.235 -6.751) 9.273 12.063 ( -8.152 -1.776 -2.075) 8.598 15.289 ( 10.349 -8.857 0.342) 13.626======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.808 ( -3.720 -0.206 -1.703) 4.097 4.377 ( -19.694 5.631 -1.130) 20.514 5.144 ( -15.332 6.422 0.685) 16.637 5.577 ( -0.494 -3.143 -3.662) 4.851 6.289 ( -5.356 -1.325 -1.352) 5.681 6.580 ( 2.739 -3.928 5.654) 7.410 9.911 ( -19.604 -0.827 -0.984) 19.646 10.253 ( -7.988 0.299 -0.537) 8.012 11.584 ( -0.943 15.988 -4.835) 16.730 11.715 ( 15.633 -0.927 -3.054) 15.955 11.899 ( 0.851 -6.380 6.878) 9.420 15.410 ( 11.375 -4.255 0.057) 12.145======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.721 ( -7.391 1.822 0.530) 7.631 4.046 ( -23.059 0.584 -1.185) 23.097 4.905 ( -14.732 -1.450 -2.149) 14.958 5.530 ( -6.091 3.873 0.598) 7.243 6.091 ( -15.625 -2.010 -0.542) 15.764 6.650 ( 6.697 -1.818 1.870) 7.187 9.602 ( -16.886 0.559 0.286) 16.898 10.042 ( -16.637 -0.294 0.048) 16.640 11.551 ( -12.003 0.887 -1.282) 12.103 11.774 ( 12.923 -1.814 -15.642) 20.371 12.252 ( 23.829 2.430 14.806) 28.160 15.571 ( 10.975 -1.108 -1.467) 11.128======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.604 ( -11.067 4.699 3.101) 12.417 3.630 ( -25.227 -2.253 -0.584) 25.334 4.637 ( -12.823 -4.200 -3.020) 13.828 5.427 ( -14.148 7.265 1.744) 16.000 5.756 ( -22.317 0.417 -0.783) 22.335 6.759 ( 7.830 -1.826 -0.165) 8.042 9.368 ( -13.574 1.839 2.016) 13.845 9.731 ( -18.075 -1.443 -0.433) 18.138 11.371 ( -7.410 -2.456 -0.532) 7.825 11.931 ( 12.860 -0.423 -16.564) 20.974 12.726 ( 24.687 0.935 15.646) 29.242 15.725 ( 9.333 -0.639 -4.542) 10.399======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.469 ( -14.225 8.220 5.465) 17.314 3.179 ( -26.116 -2.012 0.880) 26.208 4.393 ( -10.407 -3.641 -3.245) 11.493 5.148 ( -30.051 8.811 -0.077) 31.316 5.434 ( -18.104 5.416 1.013) 18.924 6.862 ( 7.027 -2.252 -1.658) 7.563 9.158 ( -15.906 1.163 2.855) 16.202 9.492 ( -7.915 0.203 0.577) 7.939 11.262 ( -3.138 -1.807 -0.485) 3.653 12.065 ( 10.308 -0.635 -17.150) 20.019 13.182 ( 23.686 -1.629 16.650) 28.998 15.829 ( 7.294 -2.116 -8.591) 11.467======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.320 ( -0.000 9.069 3.425) 9.694 2.736 ( -0.000 21.178 1.835) 21.257 4.304 ( -0.000 5.562 -0.808) 5.620 4.743 ( -0.000 23.943 -7.225) 25.009 5.628 ( -0.000 28.603 4.730) 28.992 6.979 ( 0.000 -1.674 -0.488) 1.744 9.030 ( -0.000 16.505 2.299) 16.664 9.382 ( -0.000 0.868 4.246) 4.334 11.181 ( 0.000 -1.684 -1.617) 2.335 11.583 ( 0.000 -8.413 -23.049) 24.537 13.516 ( 0.000 -23.602 13.989) 27.436 15.932 ( 0.000 0.566 -9.329) 9.346======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.425 ( 2.560 6.275 1.581) 6.959 3.030 ( 10.964 18.838 1.343) 21.838 4.385 ( 3.739 6.310 -1.478) 7.482 4.956 ( 3.867 17.777 -6.238) 19.232 5.906 ( 0.264 25.081 3.029) 25.265 6.954 ( -1.680 -0.310 0.530) 1.789 9.274 ( 9.065 15.541 3.644) 18.357 9.432 ( 1.064 5.893 3.021) 6.707 11.130 ( -3.297 -1.712 -4.600) 5.912 11.440 ( 2.034 -8.485 -18.759) 20.689 13.316 ( -1.926 -24.495 13.326) 27.952 15.866 ( -5.102 0.594 -7.960) 9.473======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.532 ( 4.311 3.315 0.024) 5.438 3.442 ( 17.039 16.481 0.882) 23.722 4.537 ( 6.678 8.450 -2.811) 11.131 5.163 ( 6.507 10.932 -3.916) 13.311 6.119 ( -0.914 18.472 0.917) 18.517 6.927 ( -2.891 2.069 1.997) 4.078 9.485 ( 0.297 8.899 3.379) 9.524 9.695 ( 16.381 15.715 2.168) 22.804 11.019 ( -1.330 -6.013 -10.763) 12.400 11.376 ( 1.869 -1.612 -10.313) 10.604 13.072 ( -4.056 -24.983 12.093) 28.050 15.726 ( -9.056 0.161 -6.197) 10.974======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.628 ( 5.029 0.928 -1.324) 5.282 3.895 ( 18.546 14.809 0.902) 23.751 4.736 ( 6.661 11.375 -4.503) 13.930 5.358 ( 9.454 4.294 -1.263) 10.460 6.228 ( -2.923 10.845 -0.310) 11.236 6.908 ( -4.218 3.943 3.092) 6.550 9.585 ( 0.997 9.614 -1.405) 9.767 10.125 ( 14.209 13.677 5.114) 20.375 10.944 ( 4.816 -4.773 -12.814) 14.498 11.399 ( 2.664 4.600 -5.454) 7.616 12.786 ( -6.428 -24.274 10.331) 27.153 15.539 ( -10.461 -1.254 -4.026) 11.279======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.706 ( 4.904 -0.535 -2.224) 5.411 4.332 ( 16.643 13.968 1.596) 21.786 4.925 ( 3.477 13.151 -5.886) 14.822 5.558 ( 12.639 -0.124 0.024) 12.640 6.238 ( -4.510 4.673 0.228) 6.498 6.869 ( -6.234 3.066 3.221) 7.658 9.697 ( 3.729 8.363 -5.868) 10.876 10.397 ( 6.229 4.297 6.572) 10.023 11.014 ( 4.086 7.740 -9.117) 12.639 11.535 ( 9.520 7.194 -4.803) 12.863 12.474 ( -8.061 -21.235 8.510) 24.255 15.339 ( -8.982 -4.036 -1.982) 10.045======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.766 ( 4.199 -1.047 -2.574) 5.035 4.713 ( 11.399 14.436 3.158) 18.663 5.052 ( 0.790 10.519 -6.136) 12.203 5.768 ( 12.085 0.484 -2.477) 12.346 6.183 ( -4.531 -0.599 2.543) 5.230 6.778 ( -7.484 -0.086 3.163) 8.125 9.831 ( 7.263 5.475 -7.740) 11.944 10.533 ( 6.507 1.025 5.183) 8.382 11.071 ( -6.636 10.448 -2.098) 12.554 11.775 ( 8.166 9.413 -6.056) 13.855 12.208 ( -4.495 -13.794 6.591) 15.935 15.162 ( -4.875 -7.274 -0.621) 8.778======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.809 ( 3.050 -0.753 -2.368) 3.934 4.953 ( -4.048 15.200 2.500) 15.928 5.161 ( 8.369 4.857 -2.974) 10.123 5.877 ( -2.803 3.537 -7.822) 9.030 6.147 ( 4.650 -4.835 5.190) 8.481 6.657 ( -5.812 -3.511 3.851) 7.806 9.992 ( 9.933 2.869 -6.061) 11.985 10.672 ( 3.705 4.664 -1.259) 6.088 10.993 ( -6.880 0.402 6.126) 9.221 11.823 ( -8.084 7.008 -1.742) 10.840 12.175 ( 3.832 -0.671 0.086) 3.891 15.052 ( 1.416 -8.390 -0.019) 8.509======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.837 ( 1.431 0.189 -1.608) 2.161 4.909 ( -12.219 7.089 -0.686) 14.143 5.376 ( 8.803 6.326 2.216) 11.064 5.707 ( -13.810 -0.692 -5.156) 14.757 6.245 ( 6.684 -0.630 -0.875) 6.770 6.562 ( -1.886 -5.607 5.023) 7.760 10.165 ( 9.500 1.726 -3.017) 10.116 10.570 ( -17.777 3.463 -4.114) 18.573 11.077 ( 15.313 -4.360 6.947) 17.371 11.750 ( -8.369 8.720 0.311) 12.090 12.167 ( -5.363 -0.021 -1.988) 5.720 15.062 ( 7.780 -5.367 0.064) 9.452======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.848 ( -0.750 1.670 -0.312) 1.857 4.703 ( -16.203 0.135 -1.139) 16.244 5.408 ( -12.194 -8.514 -5.896) 15.999 5.570 ( 0.432 11.705 6.246) 13.274 6.310 ( 1.311 1.125 -4.407) 4.734 6.521 ( 1.173 -5.237 4.785) 7.190 10.249 ( -20.782 1.297 -0.954) 20.844 10.290 ( 3.099 1.716 -1.259) 3.759 11.329 ( 17.356 -6.250 -4.715) 19.040 11.740 ( 0.811 2.727 6.814) 7.384 12.004 ( -12.676 1.801 -1.421) 12.882 15.196 ( 11.022 -0.302 -0.314) 11.031======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.841 ( -3.471 3.632 1.400) 5.215 4.376 ( -19.463 -5.058 -1.162) 20.143 5.091 ( -13.729 -8.004 -4.112) 16.415 5.678 ( -2.927 10.068 5.710) 11.939 6.262 ( -6.719 0.829 -4.558) 8.161 6.539 ( 4.462 -3.123 2.266) 5.899 9.923 ( -19.702 2.427 -0.029) 19.851 10.256 ( -8.978 0.148 0.020) 8.980 11.418 ( 9.575 -13.232 -13.317) 21.074 11.785 ( -5.088 -1.193 -1.364) 5.401 11.994 ( 12.355 6.259 13.388) 19.263 15.394 ( 10.689 3.236 -1.455) 11.262======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.812 ( -6.469 6.010 3.228) 9.402 3.970 ( -21.333 -7.248 -0.782) 22.545 4.782 ( -12.644 -7.694 -3.328) 15.170 5.700 ( -8.104 9.904 4.884) 13.698 6.077 ( -15.133 2.354 -4.658) 16.008 6.614 ( 6.877 -2.579 0.533) 7.364 9.651 ( -16.760 3.576 1.576) 17.210 10.008 ( -17.423 -3.003 -0.680) 17.693 11.371 ( 3.290 -11.056 -4.882) 12.526 11.735 ( 1.903 2.981 -12.447) 12.940 12.380 ( 22.908 -1.386 16.065) 28.014 15.580 ( 8.108 3.984 -3.651) 9.744======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.764 ( -9.387 8.569 4.615) 13.522 3.543 ( -21.901 -5.876 0.243) 22.676 4.511 ( -10.516 -5.832 -2.883) 12.366 5.623 ( -15.589 10.431 2.768) 18.960 5.798 ( -19.498 5.288 -3.589) 20.519 6.709 ( 7.483 -2.911 -0.679) 8.058 9.432 ( -14.864 1.973 3.124) 15.316 9.694 ( -15.372 -0.787 -0.513) 15.401 11.295 ( -2.502 -3.604 -0.669) 4.438 11.803 ( 10.630 -1.631 -17.581) 20.609 12.806 ( 24.936 -4.954 16.984) 30.574 15.702 ( 4.717 2.508 -6.777) 8.629======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.458 ( -0.000 4.384 -0.097) 4.385 3.113 ( -0.000 16.810 1.565) 16.883 4.397 ( -0.000 4.660 -0.878) 4.742 5.068 ( -0.000 15.365 -5.919) 16.466 6.134 ( -0.000 20.572 1.203) 20.608 6.978 ( -0.000 1.971 1.212) 2.314 9.337 ( -0.000 13.287 2.484) 13.517 9.515 ( -0.000 9.478 4.292) 10.404 11.168 ( -0.000 1.548 -1.826) 2.394 11.238 ( 0.000 -11.536 -19.708) 22.836 13.138 ( 0.000 -24.740 11.739) 27.383 15.894 ( 0.000 1.057 -6.506) 6.592======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.506 ( 1.990 2.288 -0.803) 3.137 3.357 ( 10.448 14.182 1.206) 17.656 4.484 ( 5.578 4.860 -1.226) 7.499 5.195 ( 1.673 11.244 -4.268) 12.142 6.294 ( -0.980 13.915 -0.420) 13.956 7.003 ( -1.437 4.849 1.819) 5.374 9.558 ( 9.530 11.279 3.829) 15.255 9.633 ( 1.452 12.460 1.833) 12.678 10.984 ( -6.020 -8.409 -12.297) 16.067 11.265 ( 6.207 0.522 -6.176) 8.771 12.922 ( -2.000 -24.392 9.982) 26.431 15.839 ( -5.554 1.016 -4.974) 7.524======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.562 ( 3.399 0.663 -1.008) 3.607 3.718 ( 17.172 11.553 0.903) 20.716 4.664 ( 10.096 6.436 -2.130) 12.161 5.306 ( 2.806 6.322 -1.963) 7.190 6.364 ( -2.694 7.640 -1.048) 8.169 7.029 ( -3.052 6.364 1.881) 7.305 9.705 ( -2.467 12.112 0.863) 12.391 9.966 ( 18.966 10.335 2.218) 21.713 10.807 ( -0.269 -7.011 -9.711) 11.981 11.360 ( 4.866 3.774 -4.474) 7.612 12.675 ( -3.996 -22.972 8.102) 24.684 15.700 ( -10.092 0.369 -3.318) 10.630======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.623 ( 4.056 -0.193 -0.980) 4.177 4.133 ( 19.851 9.156 0.973) 21.882 4.912 ( 10.795 9.655 -3.716) 14.951 5.400 ( 5.227 0.553 0.680) 5.300 6.352 ( -4.415 3.385 -0.629) 5.599 7.021 ( -5.730 5.169 1.337) 7.832 9.762 ( -2.619 10.038 -3.509) 10.951 10.316 ( 10.626 2.515 4.580) 11.841 10.866 ( 14.804 4.407 -7.621) 17.224 11.463 ( 4.387 4.111 -2.767) 6.619 12.413 ( -5.490 -19.655 6.319) 21.364 15.497 ( -12.627 -1.009 -1.782) 12.792======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.685 ( 4.059 -0.304 -0.799) 4.148 4.544 ( 19.584 6.784 1.424) 20.775 5.136 ( 3.297 12.526 -4.872) 13.839 5.524 ( 12.509 -4.211 2.057) 13.358 6.283 ( -6.020 0.548 0.379) 6.057 6.938 ( -8.887 2.296 0.576) 9.196 9.804 ( 0.385 6.552 -4.707) 8.076 10.445 ( 5.980 -1.288 4.320) 7.489 11.188 ( 7.459 13.016 -4.546) 15.676 11.596 ( 13.060 0.135 -2.321) 13.265 12.181 ( -5.076 -12.853 5.002) 14.697 15.263 ( -12.397 -2.693 -0.687) 12.705======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.746 ( 3.610 0.202 -0.484) 3.648 4.912 ( 17.767 3.668 1.570) 18.209 5.201 ( -5.166 7.849 -2.039) 9.615 5.752 ( 16.175 -0.609 -1.592) 16.264 6.167 ( -7.601 -1.939 2.092) 8.119 6.784 ( -10.243 -0.577 0.003) 10.259 9.885 ( 4.948 4.288 -2.459) 6.994 10.569 ( 8.840 -0.232 1.963) 9.058 11.194 ( -11.820 2.869 -0.177) 12.165 11.879 ( 12.697 4.887 -5.806) 14.792 12.063 ( 1.289 -5.463 5.508) 7.864 15.054 ( -8.231 -3.051 -0.130) 8.779======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.805 ( 2.818 1.222 0.023) 3.071 5.095 ( -4.052 -3.719 -3.663) 6.608 5.228 ( 9.123 4.466 4.891) 11.273 5.929 ( -5.307 6.274 -5.085) 9.663 6.073 ( 7.380 -5.324 4.043) 9.958 6.614 ( -7.788 -2.090 -0.208) 8.066 10.033 ( 8.306 3.666 0.337) 9.085 10.742 ( 10.135 1.790 -2.808) 10.668 10.950 ( -14.568 -4.707 2.888) 15.580 11.905 ( -5.547 0.266 -0.851) 5.619 12.176 ( 5.893 0.562 0.435) 5.936 14.965 ( 0.062 -0.013 -0.000) 0.063======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.863 ( 1.625 2.663 0.797) 3.220 4.896 ( -11.250 -7.536 -1.552) 13.629 5.352 ( 2.468 -7.019 -0.704) 7.474 5.815 ( -9.440 9.024 5.405) 14.134 6.225 ( 8.597 0.150 -3.369) 9.235 6.501 ( -3.113 -2.257 -0.376) 3.864 10.215 ( 8.067 3.948 1.607) 9.124 10.608 ( -20.379 1.986 -0.909) 20.496 10.969 ( 16.224 -7.545 -2.620) 18.083 11.767 ( -6.125 -7.499 1.683) 9.828 12.190 ( -5.014 2.282 0.349) 5.520 15.059 ( 7.588 5.182 -0.200) 9.191======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.914 ( -0.083 4.400 1.802) 4.755 4.579 ( -14.943 -11.459 -1.222) 18.870 5.173 ( -9.135 -11.401 -3.038) 14.922 5.858 ( -2.986 11.166 8.640) 14.430 6.303 ( 1.359 1.760 -5.684) 6.104 6.464 ( 1.295 -2.199 -0.339) 2.575 10.285 ( -19.741 2.929 -0.859) 19.975 10.345 ( -0.173 3.035 2.707) 4.071 11.082 ( 10.407 -13.656 -10.225) 19.983 11.663 ( 4.913 -8.646 6.006) 11.617 12.103 ( -7.201 2.596 1.922) 7.892 15.277 ( 9.679 8.728 -0.764) 13.055======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.954 ( -2.292 6.247 2.814) 7.224 4.191 ( -16.979 -12.418 -0.988) 21.058 4.883 ( -11.128 -10.489 -2.473) 15.491 5.924 ( -4.964 9.768 7.020) 13.013 6.263 ( -6.445 3.404 -7.268) 10.293 6.494 ( 4.705 -2.508 0.772) 5.387 9.990 ( -18.909 2.740 1.615) 19.174 10.240 ( -13.558 -1.932 -0.838) 13.721 11.084 ( 11.586 -10.786 -9.280) 18.349 11.730 ( 2.682 -2.884 -1.935) 4.388 12.103 ( 9.179 -3.774 9.484) 13.728 15.508 ( 7.429 9.363 -1.880) 12.100======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.974 ( -4.812 7.901 3.379) 9.849 3.793 ( -17.298 -9.734 -0.330) 19.852 4.607 ( -9.953 -8.016 -2.090) 12.949 5.921 ( -8.501 8.878 4.915) 13.238 6.112 ( -13.482 5.454 -7.899) 16.550 6.566 ( 6.278 -2.827 1.474) 7.041 9.711 ( -16.484 -1.699 2.757) 16.800 9.957 ( -16.450 1.401 -1.488) 16.577 11.189 ( 10.269 -3.189 -5.836) 12.234 11.662 ( -2.230 -2.668 -9.872) 10.467 12.378 ( 23.794 -9.407 13.582) 28.967 15.672 ( 3.179 7.687 -3.635) 9.078======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.502 ( -0.000 1.082 -0.879) 1.394 3.395 ( -0.000 11.582 1.173) 11.641 4.468 ( -0.000 3.376 -0.839) 3.478 5.270 ( -0.000 9.246 -3.181) 9.778 6.409 ( -0.000 8.696 -1.256) 8.786 7.077 ( -0.000 6.776 1.272) 6.895 9.560 ( -0.000 8.300 1.883) 8.511 9.779 ( -0.000 14.685 3.594) 15.119 10.905 ( 0.000 -10.786 -14.016) 17.686 11.210 ( -0.000 3.726 -1.363) 3.967 12.741 ( 0.000 -22.889 7.732) 24.160 15.883 ( 0.000 1.284 -3.680) 3.898======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.521 ( 1.731 0.235 -0.203) 1.758 3.584 ( 10.280 8.708 0.872) 13.501 4.554 ( 6.970 3.185 -0.995) 7.728 5.341 ( 0.330 6.267 -1.446) 6.440 6.454 ( -1.593 4.719 -1.426) 5.180 7.135 ( -1.457 6.691 0.543) 6.869 9.746 ( 12.588 6.133 1.956) 14.139 9.913 ( -2.373 14.988 1.560) 15.255 10.733 ( -2.669 -8.782 -8.864) 12.760 11.295 ( 5.286 3.779 -1.883) 6.765 12.540 ( -2.013 -20.124 5.479) 20.954 15.835 ( -5.963 1.049 -2.364) 6.500======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.562 ( 2.978 -0.051 0.628) 3.044 3.891 ( 17.360 5.815 0.699) 18.321 4.751 ( 13.118 3.816 -1.516) 13.746 5.388 ( 0.085 2.918 0.535) 2.968 6.441 ( -3.342 2.207 -1.144) 4.165 7.151 ( -3.658 4.752 -0.230) 6.001 9.936 ( -5.235 10.948 -0.009) 12.135 10.107 ( 16.886 3.088 0.779) 17.184 10.665 ( 6.712 -2.467 -4.150) 8.268 11.418 ( 5.209 3.413 -1.227) 6.347 12.333 ( -3.661 -15.658 3.341) 16.424 15.693 ( -11.064 0.439 -1.185) 11.136======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.621 ( 3.600 0.124 1.202) 3.798 4.254 ( 20.434 2.861 0.778) 20.648 5.040 ( 16.691 5.423 -2.607) 17.743 5.401 ( -0.131 -1.154 2.726) 2.963 6.381 ( -5.018 0.632 -0.625) 5.096 7.094 ( -6.923 1.931 -1.108) 7.272 9.908 ( -6.120 6.583 -0.967) 9.040 10.324 ( 8.477 -2.724 2.205) 9.173 10.959 ( 25.333 6.902 -3.495) 26.488 11.492 ( 0.984 -0.283 0.455) 1.120 12.158 ( -3.623 -8.714 1.576) 9.568 15.478 ( -14.237 -0.161 -0.350) 14.243======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.690 ( 3.756 0.654 1.440) 4.075 4.609 ( 20.085 -0.618 0.699) 20.107 5.325 ( 0.611 8.492 -1.435) 8.634 5.426 ( 15.974 -6.862 2.342) 17.542 6.285 ( -6.694 -0.232 0.096) 6.699 6.951 ( -10.073 -0.584 -2.052) 10.296 9.894 ( -1.060 3.750 2.187) 4.469 10.422 ( 7.218 -2.925 0.204) 7.791 11.397 ( -6.084 7.010 -1.603) 9.419 11.503 ( 26.523 -3.800 -0.658) 26.802 12.066 ( -2.278 -2.517 1.135) 3.580 15.236 ( -14.010 0.324 0.069) 14.014======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.767 ( 3.659 1.535 1.500) 4.242 4.880 ( 14.872 -6.426 -1.057) 16.236 5.284 ( -3.985 -1.929 5.774) 7.276 5.735 ( 18.873 1.319 -3.543) 19.247 6.159 ( -8.429 -0.048 1.521) 8.565 6.754 ( -10.664 -1.456 -2.896) 11.146 9.969 ( 4.598 2.914 5.474) 7.720 10.523 ( 9.751 -4.481 -2.266) 10.968 11.203 ( -14.121 -1.593 0.532) 14.221 11.920 ( 13.424 5.520 -6.383) 15.856 12.012 ( 2.079 -5.643 5.032) 7.841 15.058 ( -8.447 3.427 0.188) 9.117======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.851 ( 3.337 2.763 1.590) 4.615 4.893 ( -0.990 -13.793 -2.212) 14.004 5.258 ( 1.675 -5.816 5.354) 8.081 6.013 ( 11.958 3.450 -6.944) 14.252 6.040 ( -5.135 0.804 7.402) 9.045 6.577 ( -7.707 -0.321 -3.931) 8.658 10.128 ( 8.185 3.005 6.775) 11.042 10.640 ( 12.310 -8.017 -3.818) 15.178 10.936 ( -16.889 0.097 0.227) 16.891 11.828 ( -9.121 -5.471 -1.293) 10.714 12.179 ( 7.123 -1.240 0.564) 7.252 15.053 ( 1.068 8.599 0.123) 8.666======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.940 ( 2.607 4.219 1.784) 5.271 4.643 ( -9.346 -16.561 -1.047) 19.045 5.167 ( -4.305 -11.869 0.694) 12.645 6.024 ( -2.621 7.059 7.863) 10.887 6.207 ( 8.973 0.099 -2.598) 9.342 6.472 ( -3.680 1.234 -5.700) 6.896 10.319 ( 7.424 3.339 5.122) 9.618 10.631 ( -17.291 -0.342 3.935) 17.736 10.745 ( 10.258 -12.276 -8.586) 18.156 11.615 ( -6.857 -5.902 0.313) 9.052 12.189 ( -2.542 -3.424 0.670) 4.317 15.235 ( 7.430 12.189 -0.091) 14.275======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.027 ( 1.263 5.643 1.961) 6.106 4.293 ( -12.522 -16.510 -0.734) 20.734 4.931 ( -8.582 -12.505 -0.801) 15.188 6.089 ( -2.032 6.819 7.055) 10.020 6.303 ( 2.733 1.276 -1.913) 3.572 6.433 ( 0.010 0.820 -5.174) 5.238 10.305 ( -18.570 -6.040 2.392) 19.674 10.397 ( -4.438 0.763 0.653) 4.550 10.783 ( 10.489 -5.556 -6.599) 13.581 11.573 ( 6.422 -3.300 2.027) 7.499 12.069 ( -4.997 -7.005 1.480) 8.731 15.487 ( 7.664 12.563 -0.520) 14.725======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.098 ( -0.759 6.606 1.802) 6.890 3.932 ( -12.926 -12.926 -0.416) 18.284 4.671 ( -8.661 -10.035 -1.054) 13.297 6.114 ( -4.348 5.479 4.079) 8.097 6.290 ( -5.674 4.985 -9.104) 11.829 6.465 ( 4.251 -1.690 4.093) 6.139 9.929 ( -15.887 -11.576 1.921) 19.751 10.252 ( -13.966 5.999 -1.597) 15.284 10.953 ( 12.465 2.401 -6.133) 14.098 11.653 ( 0.990 -3.249 -3.279) 4.721 11.993 ( 10.529 -12.649 7.715) 18.176 15.696 ( 3.996 10.480 -1.276) 11.288======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.509 ( -0.000 0.005 1.203) 1.203 3.568 ( -0.000 5.772 0.648) 5.808 4.513 ( -0.000 1.877 -0.712) 2.007 5.389 ( -0.000 4.522 -0.050) 4.522 6.498 ( -0.000 2.703 -1.535) 3.108 7.205 ( -0.000 5.210 -0.517) 5.236 9.681 ( -0.000 3.515 0.635) 3.572 10.100 ( -0.000 15.694 3.141) 16.006 10.642 ( 0.000 -9.376 -7.068) 11.741 11.275 ( -0.000 3.168 -0.308) 3.182 12.398 ( 0.000 -15.584 2.814) 15.836 15.890 ( -0.000 1.064 -1.341) 1.712======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.530 ( 1.575 0.075 2.648) 3.082 3.699 ( 10.290 2.761 0.425) 10.662 4.591 ( 7.793 1.320 -0.751) 7.940 5.422 ( -0.369 2.317 1.606) 2.843 6.497 ( -1.810 1.327 -1.458) 2.676 7.227 ( -1.623 2.699 -1.329) 3.418 9.824 ( 13.527 1.428 0.073) 13.602 10.188 ( -6.958 10.521 1.333) 12.684 10.552 ( 1.976 -5.118 -1.762) 5.762 11.350 ( 5.286 2.117 0.188) 5.698 12.265 ( -2.032 -9.459 0.270) 9.678 15.843 ( -6.254 0.765 -0.416) 6.314======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.578 ( 2.696 0.281 3.438) 4.378 3.949 ( 17.487 -0.257 0.463) 17.495 4.786 ( 14.612 0.654 -0.934) 14.656 5.430 ( -1.233 0.263 3.168) 3.409 6.455 ( -3.566 0.355 -1.224) 3.787 7.188 ( -4.032 -0.225 -2.235) 4.616 10.093 ( -2.167 -3.010 0.976) 3.836 10.099 ( 9.227 3.164 0.248) 9.757 10.654 ( 12.672 2.295 0.777) 12.902 11.459 ( 4.638 0.833 1.313) 4.891 12.160 ( -3.235 -2.203 -1.937) 4.367 15.699 ( -11.541 0.554 0.244) 11.557======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.645 ( 3.409 0.550 3.383) 4.835 4.253 ( 20.345 -3.473 0.694) 20.651 5.063 ( 18.793 -2.049 -0.635) 18.915 5.410 ( -2.183 -0.100 3.838) 4.416 6.379 ( -5.079 -0.275 -0.796) 5.148 7.071 ( -7.082 -2.749 -3.343) 8.299 9.974 ( -4.551 -2.773 5.406) 7.591 10.278 ( 7.553 -1.022 -2.184) 7.929 11.010 ( 26.185 -1.065 1.577) 26.254 11.506 ( -0.640 1.925 1.513) 2.531 12.107 ( -3.250 3.636 -3.263) 5.867 15.488 ( -14.405 1.164 0.589) 14.464======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.724 ( 3.962 1.028 2.778) 4.947 4.533 ( 18.460 -7.691 0.486) 20.004 5.252 ( 6.035 -11.852 6.191) 14.671 5.478 ( 10.860 6.372 -2.349) 12.809 6.279 ( -6.185 -0.598 0.096) 6.215 6.888 ( -9.183 -3.563 -4.347) 10.767 9.943 ( 2.087 -4.228 8.666) 9.866 10.354 ( 5.285 -1.557 -4.418) 7.062 11.282 ( 4.165 -9.628 5.024) 11.632 11.632 ( 15.804 6.507 -0.238) 17.093 12.073 ( -5.449 5.675 -4.666) 9.147 15.278 ( -12.806 3.647 0.740) 13.336======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.815 ( 4.446 1.868 2.031) 5.233 4.674 ( 9.566 -14.116 -0.505) 17.059 5.194 ( 0.335 -11.275 7.518) 13.555 5.759 ( 16.027 3.119 -3.864) 16.778 6.175 ( -5.806 -0.226 2.351) 6.268 6.693 ( -8.558 -1.826 -5.158) 10.158 10.018 ( 8.357 -5.387 10.045) 14.134 10.410 ( 6.358 -2.909 -6.271) 9.392 11.150 ( -10.337 -5.152 5.358) 12.732 11.893 ( 5.010 -9.852 4.962) 12.116 12.041 ( 0.902 12.679 -9.532) 15.888 15.177 ( -5.550 8.088 0.801) 9.842======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.920 ( 4.656 3.024 1.368) 5.718 4.565 ( -2.135 -18.974 -0.301) 19.096 5.101 ( -1.186 -12.855 4.154) 13.562 6.010 ( 12.929 1.143 -4.723) 13.812 6.129 ( -1.527 1.322 7.781) 8.039 6.548 ( -6.029 0.912 -6.412) 8.849 10.170 ( 12.349 -6.483 8.687) 16.431 10.463 ( 7.371 -6.169 -7.579) 12.240 10.907 ( -15.467 -3.841 7.115) 17.453 11.747 ( -10.139 -1.546 -1.700) 10.396 12.150 ( 2.111 0.248 -2.921) 3.613 15.262 ( 3.354 11.907 0.697) 12.390======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.034 ( 4.224 4.202 0.759) 6.006 4.289 ( -7.779 -19.189 0.013) 20.706 4.922 ( -5.443 -13.857 1.094) 14.928 6.141 ( 3.690 1.577 -2.631) 4.798 6.226 ( 6.485 0.660 10.213) 12.116 6.462 ( -3.554 2.517 -8.300) 9.373 10.311 ( 7.333 -13.255 1.800) 15.255 10.406 ( -0.790 -11.722 -1.796) 11.885 10.723 ( -5.574 7.018 5.113) 10.318 11.594 ( -7.544 3.583 -1.849) 8.554 12.083 ( -5.026 -6.348 -1.366) 8.211 15.482 ( 7.478 12.603 0.420) 14.661======================= 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 0.00e+00 7.23e-05 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.139 ( 2.810 4.867 -0.000) 5.620 3.976 ( -8.910 -15.433 -0.000) 17.820 4.693 ( -6.711 -11.623 0.000) 13.421 6.186 ( 0.693 1.200 0.000) 1.386 6.345 ( 1.494 2.588 -0.000) 2.989 6.426 ( 0.573 0.992 0.000) 1.146 10.013 ( -11.117 -19.255 0.000) 22.234 10.423 ( 0.096 0.166 0.000) 0.192 10.843 ( 5.827 10.092 -0.000) 11.653 11.569 ( 1.289 2.233 0.000) 2.579 11.885 ( -6.779 -11.741 -0.000) 13.558 15.714 ( 6.038 10.458 -0.000) 12.076======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.530 ( -0.000 0.204 4.599) 4.604 3.624 ( 0.000 -0.296 0.124) 0.321 4.530 ( 0.000 0.279 -0.552) 0.618 5.448 ( -0.000 0.593 3.139) 3.194 6.515 ( 0.000 0.512 -1.594) 1.674 7.248 ( 0.000 -0.068 -2.141) 2.142 9.708 ( 0.000 -0.471 -0.775) 0.907 10.306 ( 0.000 -4.259 -0.981) 4.370 10.530 ( -0.000 7.187 4.688) 8.581 11.313 ( -0.000 0.312 0.891) 0.944 12.223 ( 0.000 -1.954 -2.592) 3.246 15.903 ( -0.000 0.632 0.327) 0.712======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.562 ( 1.355 0.137 5.610) 5.773 3.695 ( 10.404 -3.301 0.082) 10.916 4.593 ( 7.906 -0.622 -0.511) 7.947 5.454 ( -0.532 -1.285 4.637) 4.841 6.496 ( -1.821 -0.334 -1.542) 2.410 7.210 ( -1.738 -3.028 -3.090) 4.662 9.805 ( 12.959 -2.761 -1.616) 13.348 10.177 ( -3.622 -10.993 0.461) 11.584 10.642 ( -1.211 11.237 6.755) 13.167 11.370 ( 5.937 -0.820 2.070) 6.341 12.210 ( -2.076 5.532 -5.094) 7.802 15.857 ( -6.314 0.536 0.881) 6.398======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.612 ( 2.464 -0.181 5.218) 5.773 3.889 ( 17.572 -6.261 0.492) 18.661 4.764 ( 13.954 -2.491 -0.302) 14.177 5.439 ( -0.910 -2.528 5.539) 6.156 6.440 ( -3.375 -1.315 -1.261) 3.835 7.110 ( -3.958 -5.442 -4.315) 7.994 9.941 ( 3.459 -11.116 -0.002) 11.642 10.101 ( 10.235 -5.172 0.834) 11.498 10.775 ( 5.045 8.048 6.506) 11.513 11.473 ( 5.398 -1.046 4.124) 6.873 12.224 ( -3.727 11.603 -7.244) 14.177 15.718 ( -11.275 0.996 1.212) 11.383======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.675 ( 3.633 -0.406 3.818) 5.286 4.133 ( 19.679 -9.601 1.017) 21.920 4.969 ( 14.429 -7.459 1.546) 16.316 5.433 ( 1.558 -0.961 4.131) 4.518 6.352 ( -4.408 -2.746 -0.621) 5.231 6.952 ( -6.059 -5.962 -5.393) 10.067 9.849 ( 1.879 -12.548 4.499) 13.462 10.237 ( 8.231 -3.976 -2.774) 9.553 11.027 ( 14.581 2.013 8.155) 16.827 11.546 ( 3.278 -1.156 5.082) 6.157 12.250 ( -5.770 15.446 -9.444) 19.001 15.532 ( -13.059 2.672 1.476) 13.411======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.753 ( 4.954 -0.142 2.129) 5.394 4.326 ( 15.627 -14.208 1.018) 21.145 5.049 ( 5.706 -13.320 5.938) 15.660 5.549 ( 10.982 2.049 -0.729) 11.196 6.242 ( -4.216 -4.542 0.834) 6.253 6.776 ( -6.763 -3.602 -5.807) 9.614 9.821 ( 7.133 -12.284 5.550) 15.251 10.285 ( 4.948 -5.200 -3.952) 8.194 11.224 ( 1.140 -0.567 11.722) 11.791 11.635 ( 10.443 -6.566 4.601) 13.165 12.261 ( -8.030 18.822 -12.257) 23.853 15.379 ( -9.805 5.810 1.830) 11.543======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.852 ( 6.153 0.692 0.608) 6.221 4.350 ( 5.912 -19.307 0.772) 20.206 4.988 ( 1.212 -14.186 5.742) 15.351 5.778 ( 14.203 0.854 -3.093) 14.561 6.156 ( -0.862 -4.795 4.263) 6.474 6.632 ( -6.039 -0.060 -5.822) 8.388 9.884 ( 12.117 -11.999 4.344) 17.597 10.286 ( 4.915 -9.113 -3.704) 10.997 11.152 ( -12.515 0.821 12.296) 17.564 11.727 ( 6.580 -9.846 4.083) 12.526 12.264 ( -8.415 17.832 -12.364) 23.274 15.356 ( -2.055 9.146 2.054) 9.596======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.972 ( 6.723 1.812 -0.659) 6.994 4.181 ( -2.076 -20.797 0.751) 20.914 4.856 ( -2.326 -14.483 2.827) 14.938 5.986 ( 11.596 -0.481 -4.896) 12.596 6.173 ( 4.892 -3.453 9.646) 11.353 6.532 ( -5.020 2.215 -6.015) 8.141 9.998 ( 13.289 -12.991 0.263) 18.586 10.235 ( 3.854 -14.839 -0.276) 15.334 10.986 ( -13.269 5.912 9.834) 17.542 11.707 ( -1.295 -3.870 2.696) 4.891 12.199 ( -11.852 9.804 -9.420) 18.036 15.489 ( 5.065 10.381 1.827) 11.694======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.571 ( -0.000 -0.450 6.988) 7.003 3.559 ( 0.000 -6.329 -0.214) 6.333 4.516 ( 0.000 -1.343 -0.418) 1.407 5.454 ( -0.000 -3.423 6.187) 7.070 6.497 ( 0.000 -1.596 -1.633) 2.284 7.170 ( 0.000 -5.673 -4.047) 6.968 9.653 ( 0.000 -4.336 -1.915) 4.740 10.062 ( 0.000 -16.053 -0.294) 16.056 10.837 ( -0.000 14.865 11.742) 18.943 11.298 ( 0.000 -2.652 1.821) 3.217 12.292 ( -0.000 12.082 -7.554) 14.250 15.919 ( -0.000 0.483 1.378) 1.460======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.595 ( 1.084 -1.565 6.660) 6.927 3.576 ( 10.673 -9.160 0.071) 14.065 4.561 ( 7.351 -2.505 -0.309) 7.773 5.431 ( -0.209 -5.469 7.281) 9.109 6.453 ( -1.561 -3.865 -1.572) 4.455 7.078 ( -1.717 -7.111 -5.141) 8.941 9.693 ( 10.572 -7.465 -2.884) 13.259 9.909 ( 1.504 -15.851 1.195) 15.967 10.948 ( -6.421 12.627 11.454) 18.217 11.363 ( 7.713 -1.257 5.075) 9.318 12.385 ( -2.188 16.883 -9.641) 19.565 15.878 ( -6.080 0.821 1.702) 6.366======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.622 ( 2.542 -2.759 4.639) 5.966 3.719 ( 17.619 -11.877 0.962) 21.270 4.690 ( 11.765 -5.112 0.356) 12.832 5.399 ( 0.770 -6.334 7.087) 9.536 6.359 ( -2.469 -7.675 -1.504) 8.201 6.951 ( -3.488 -5.968 -5.783) 9.013 9.690 ( 2.525 -13.962 -0.756) 14.209 9.934 ( 15.348 -11.647 -0.594) 19.276 11.017 ( -0.466 9.406 10.069) 13.787 11.497 ( 4.528 0.216 9.215) 10.270 12.472 ( -4.388 19.947 -11.699) 23.537 15.757 ( -10.324 1.954 2.061) 10.708======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.663 ( 4.683 -3.272 2.021) 6.060 3.903 ( 18.464 -15.140 1.644) 23.934 4.814 ( 9.880 -10.026 2.834) 14.358 5.412 ( 5.744 -4.458 4.100) 8.347 6.218 ( -2.076 -12.000 -1.251) 12.242 6.821 ( -4.826 -2.301 -5.320) 7.543 9.611 ( 4.486 -13.144 0.898) 13.918 10.046 ( 11.953 -13.470 -2.450) 18.175 11.202 ( 8.293 6.626 11.393) 15.571 11.551 ( -1.587 -1.546 10.066) 10.307 12.538 ( -6.684 21.893 -13.845) 26.751 15.610 ( -10.951 4.047 2.761) 11.996======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.733 ( 7.012 -2.799 -0.315) 7.556 4.012 ( 12.779 -19.214 1.569) 23.129 4.827 ( 4.226 -13.688 5.183) 15.234 5.542 ( 12.498 -2.575 -0.208) 12.762 6.078 ( 1.060 -13.513 0.476) 13.563 6.715 ( -5.491 1.318 -4.157) 7.012 9.603 ( 8.587 -11.700 0.611) 14.526 10.058 ( 7.667 -15.385 -2.084) 17.316 11.419 ( -4.304 8.968 17.736) 20.335 11.503 ( 5.182 -9.034 3.503) 10.988 12.572 ( -9.243 22.401 -15.248) 28.631 15.517 ( -6.944 6.430 3.690) 10.158======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.840 ( 8.784 -1.586 -2.090) 9.168 3.960 ( 4.624 -21.709 1.079) 22.222 4.745 ( 0.400 -14.280 3.980) 14.830 5.741 ( 14.248 -2.698 -2.973) 14.803 6.029 ( 6.981 -11.508 4.492) 14.190 6.633 ( -5.741 3.353 -3.001) 7.294 9.666 ( 11.778 -11.316 -1.175) 16.376 10.004 ( 5.459 -17.302 0.010) 18.143 11.300 ( -13.110 2.814 9.225) 16.275 11.624 ( 5.465 -2.663 9.359) 11.160 12.538 ( -13.878 19.803 -14.918) 28.413 15.540 ( -0.030 7.661 4.119) 8.698======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.586 ( -0.000 -3.525 7.031) 7.865 3.381 ( 0.000 -12.070 -0.212) 12.072 4.473 ( 0.000 -2.908 -0.374) 2.932 5.392 ( 0.000 -8.506 8.540) 12.053 6.400 ( 0.000 -8.896 -2.151) 9.152 7.008 ( 0.000 -6.110 -5.543) 8.249 9.514 ( 0.000 -8.716 -2.448) 9.054 9.743 ( 0.000 -16.309 0.082) 16.309 11.233 ( -0.000 15.826 17.785) 23.807 11.248 ( 0.000 -3.572 2.173) 4.181 12.546 ( -0.000 20.098 -11.302) 23.057 15.943 ( -0.000 1.011 1.980) 2.223======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.570 ( 0.921 -5.756 5.268) 7.857 3.349 ( 11.207 -14.559 0.497) 18.380 4.494 ( 6.325 -4.202 -0.190) 7.596 5.331 ( 0.674 -11.004 8.811) 14.112 6.266 ( -0.697 -15.686 -3.270) 16.039 6.933 ( -1.766 -2.527 -4.979) 5.856 9.481 ( 6.517 -12.069 -3.257) 14.098 9.626 ( 5.213 -13.829 0.951) 14.810 11.168 ( -4.603 2.001 5.468) 7.422 11.501 ( 4.427 10.116 16.712) 20.031 12.689 ( -2.333 21.975 -12.783) 25.529 15.916 ( -5.542 1.796 2.287) 6.259======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.551 ( 3.339 -7.262 2.009) 8.242 3.451 ( 17.641 -16.871 1.674) 24.467 4.577 ( 9.002 -7.101 0.931) 11.503 5.279 ( 3.641 -11.630 7.262) 14.186 6.067 ( 0.004 -20.898 -4.173) 21.311 6.869 ( -3.452 1.138 -3.615) 5.126 9.425 ( 3.508 -12.207 -2.435) 12.932 9.672 ( 13.575 -14.507 -0.053) 19.867 11.184 ( 2.271 1.966 5.651) 6.400 11.671 ( -1.908 8.357 17.821) 19.775 12.801 ( -4.681 23.034 -14.305) 27.516 15.824 ( -8.954 3.291 3.099) 10.031======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.566 ( 6.869 -7.267 -1.076) 10.058 3.580 ( 17.036 -19.690 1.943) 26.109 4.630 ( 6.488 -11.200 3.367) 13.374 5.304 ( 10.064 -9.871 3.364) 14.492 5.865 ( 3.010 -22.037 -3.519) 22.519 6.813 ( -4.749 3.470 -2.060) 6.232 9.382 ( 5.439 -10.227 -2.247) 11.799 9.734 ( 11.252 -16.603 -0.465) 20.062 11.300 ( 7.856 -1.947 4.608) 9.313 11.722 ( -8.077 8.518 18.406) 21.830 12.876 ( -7.150 23.357 -15.768) 29.074 15.723 ( -9.016 5.034 4.626) 11.314======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.637 ( 10.159 -5.915 -3.292) 12.208 3.621 ( 11.113 -22.324 1.097) 24.961 4.600 ( 2.732 -13.092 4.164) 14.007 5.438 ( 15.437 -8.854 -0.257) 17.798 5.754 ( 8.826 -18.732 -0.577) 20.715 6.762 ( -5.658 4.647 -0.632) 7.349 9.393 ( 8.274 -9.705 -2.907) 13.081 9.727 ( 7.688 -16.791 0.354) 18.471 11.361 ( 2.231 -7.143 1.470) 7.626 11.747 ( -6.797 11.019 19.295) 23.236 12.893 ( -10.902 22.063 -16.856) 29.828 15.670 ( -5.473 5.993 6.228) 10.231======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.511 ( 0.000 -8.897 5.011) 10.211 3.098 ( 0.000 -17.295 0.168) 17.296 4.401 ( 0.000 -4.278 -0.457) 4.302 5.228 ( 0.000 -15.370 9.402) 18.018 6.067 ( 0.000 -23.084 -5.291) 23.683 6.928 ( 0.000 1.247 -3.487) 3.703 9.287 ( 0.000 -13.142 -2.194) 13.324 9.472 ( 0.000 -11.109 0.031) 11.109 11.206 ( 0.000 -1.860 1.826) 2.607 11.664 ( -0.000 14.498 21.637) 26.046 12.880 ( -0.000 22.978 -13.330) 26.564 15.988 ( -0.000 2.174 2.357) 3.207======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.431 ( 1.098 -11.506 2.331) 11.791 3.029 ( 12.045 -19.335 1.198) 22.811 4.399 ( 5.026 -5.553 -0.152) 7.492 5.110 ( 2.393 -18.899 8.460) 20.844 5.808 ( 0.712 -26.979 -6.363) 27.729 6.927 ( -1.849 3.385 -2.023) 4.356 9.205 ( 6.099 -14.662 -2.766) 16.119 9.414 ( 3.959 -7.888 0.833) 8.865 11.194 ( -0.414 0.010 2.268) 2.306 11.861 ( -0.980 11.323 21.216) 24.069 13.037 ( -2.525 23.501 -13.657) 27.298 15.980 ( -4.718 3.158 2.878) 6.365======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.366 ( 5.181 -12.300 -1.290) 13.409 3.099 ( 17.660 -21.107 2.013) 27.594 4.435 ( 6.254 -8.448 1.481) 10.615 5.025 ( 8.186 -20.644 5.198) 22.808 5.557 ( 3.261 -26.277 -5.708) 27.087 6.916 ( -3.370 4.344 -0.679) 5.540 9.169 ( 7.061 -13.689 -3.521) 15.800 9.443 ( 7.016 -7.604 1.301) 10.428 11.220 ( 2.407 0.066 2.694) 3.613 11.976 ( -4.677 8.247 19.446) 21.634 13.153 ( -5.233 23.547 -14.072) 27.926 15.925 ( -7.448 4.549 4.392) 9.771======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.372 ( 10.267 -10.964 -4.011) 15.547 3.180 ( 15.905 -23.084 1.118) 28.055 4.437 ( 4.274 -11.172 3.511) 12.467 5.035 ( 16.122 -21.809 0.942) 27.137 5.409 ( 8.413 -20.120 -3.223) 22.045 6.894 ( -4.511 4.785 0.561) 6.600 9.153 ( 7.887 -12.911 -3.563) 15.543 9.482 ( 5.655 -7.616 0.786) 9.519 11.268 ( 2.771 -2.422 1.766) 4.082 12.020 ( -5.985 7.940 18.061) 20.617 13.212 ( -8.591 22.408 -15.121) 28.365 15.863 ( -7.740 5.505 6.664) 11.603======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.305 ( 0.000 -15.110 2.061) 15.249 2.725 ( 0.000 -21.856 0.821) 21.872 4.305 ( 0.000 -5.234 -0.647) 5.274 4.896 ( 0.000 -26.713 7.247) 27.679 5.509 ( 0.000 -28.367 -6.498) 29.102 6.974 ( -0.000 3.991 -0.958) 4.104 8.992 ( 0.000 -16.019 -1.352) 16.076 9.345 ( 0.000 -1.741 0.415) 1.789 11.209 ( -0.000 1.170 1.035) 1.562 12.042 ( -0.000 8.870 21.060) 22.851 13.241 ( -0.000 23.780 -12.302) 26.774 16.059 ( -0.000 3.456 2.782) 4.436======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.160 ( 1.913 -17.144 -0.792) 17.269 2.629 ( 13.063 -23.369 1.753) 26.829 4.282 ( 3.531 -6.532 0.011) 7.425 4.664 ( 5.555 -33.453 3.237) 34.065 5.245 ( 2.038 -25.200 -4.298) 25.645 6.996 ( -1.555 3.842 -0.127) 4.147 8.887 ( 6.214 -16.525 -1.450) 17.714 9.367 ( 1.359 2.679 0.869) 3.127 11.224 ( -0.347 2.138 1.087) 2.423 12.159 ( -2.036 4.760 18.447) 19.160 13.406 ( -3.034 23.686 -10.932) 26.262 16.074 ( -3.655 4.269 3.645) 6.699======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.070 ( 8.262 -16.364 -3.977) 18.758 2.673 ( 17.657 -24.379 1.367) 30.133 4.272 ( 4.451 -11.010 3.031) 12.257 4.501 ( 14.324 -33.738 -2.019) 36.708 5.087 ( 6.521 -19.421 -1.865) 20.571 6.998 ( -2.637 3.677 0.686) 4.577 8.854 ( 8.944 -16.253 -1.847) 18.643 9.426 ( 0.473 4.554 0.459) 4.601 11.245 ( 0.122 1.372 1.196) 1.825 12.201 ( -3.047 2.387 15.492) 15.968 13.512 ( -6.854 22.496 -10.627) 25.806 16.054 ( -5.985 5.214 5.588) 9.707======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.965 ( 0.000 -20.557 -0.751) 20.571 2.276 ( 0.000 -25.685 1.579) 25.734 4.196 ( 0.000 -5.539 -0.861) 5.606 4.246 ( 0.000 -43.152 -0.309) 43.153 4.987 ( 0.000 -22.777 -1.399) 22.820 7.040 ( -0.000 2.864 0.070) 2.864 8.673 ( 0.000 -16.154 -0.371) 16.159 9.421 ( -0.000 8.912 1.298) 9.006 11.262 ( -0.000 3.776 0.244) 3.784 12.256 ( -0.000 0.014 15.800) 15.800 13.627 ( -0.000 23.428 -7.783) 24.687 16.155 ( -0.000 4.170 3.545) 5.473======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.775 ( 3.668 -21.382 -3.076) 21.911 2.162 ( 14.146 -26.464 1.826) 30.063 3.871 ( 8.699 -46.146 -1.961) 47.000 4.168 ( 3.214 -6.398 -1.009) 7.230 4.808 ( 3.823 -19.961 0.125) 20.324 7.056 ( -0.936 2.209 0.314) 2.419 8.571 ( 5.652 -15.354 -0.357) 16.365 9.524 ( -1.272 12.476 1.300) 12.608 11.288 ( -1.470 3.857 0.286) 4.138 12.274 ( -0.913 -3.670 12.483) 13.043 13.791 ( -4.135 22.128 -6.006) 23.298 16.188 ( -2.480 4.563 4.565) 6.914======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.520 ( 0.000 -24.345 -2.455) 24.469 1.767 ( 0.000 -28.743 2.422) 28.845 3.305 ( 0.000 -51.932 -4.403) 52.118 4.087 ( 0.000 -5.044 -1.002) 5.143 4.587 ( 0.000 -19.509 1.247) 19.549 7.079 ( -0.000 1.215 0.044) 1.216 8.384 ( 0.000 -13.716 0.371) 13.721 9.690 ( -0.000 17.319 2.372) 17.481 11.348 ( -0.000 4.978 -0.266) 4.985 12.255 ( 0.000 -8.649 9.047) 12.516 14.020 ( -0.000 20.755 -2.967) 20.966 16.262 ( -0.000 3.943 4.731) 6.158======================= 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 0.00e+00 7.23e-05 Number of triplets: 580Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.464 ( -0.000 -0.000 22.152) 22.152 0.464 ( -0.000 -0.000 22.152) 22.152 0.869 ( -0.000 -0.000 41.809) 41.809 3.902 ( 0.000 0.000 -1.425) 1.425 3.902 ( 0.000 0.000 -1.425) 1.425 7.982 ( -0.000 -0.000 0.658) 0.658 7.982 ( -0.000 -0.000 0.658) 0.658 8.400 ( 0.000 0.000 -6.917) 6.917 11.531 ( 0.000 0.000 -0.496) 0.496 11.531 ( 0.000 0.000 -0.496) 0.496 14.703 ( -0.000 -0.000 2.473) 2.473 15.236 ( 0.000 0.000 -1.075) 1.075======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.898 ( 22.277 12.862 15.299) 29.929 0.937 ( 20.158 11.638 19.587) 30.421 1.321 ( 33.069 19.093 22.565) 44.354 3.901 ( 1.109 0.641 -2.130) 2.485 4.012 ( 8.968 5.178 -1.194) 10.424 7.264 ( -13.101 -7.564 9.067) 17.637 8.043 ( 4.800 2.771 1.141) 5.659 9.906 ( 42.963 24.805 -40.068) 63.769 11.382 ( -3.543 -2.045 -8.797) 9.702 11.496 ( -2.644 -1.526 -0.802) 3.156 14.645 ( -5.841 -3.372 3.738) 7.711 15.756 ( 26.446 15.268 -24.705) 39.279======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.383 ( 16.487 9.519 19.350) 27.145 1.461 ( 23.980 13.845 10.620) 29.656 2.275 ( 44.442 25.659 7.633) 51.882 3.936 ( 2.706 1.563 -2.567) 4.044 4.275 ( 14.596 8.427 -0.118) 16.855 7.125 ( -3.956 -2.284 1.483) 4.803 8.199 ( 8.828 5.097 1.557) 10.312 10.091 ( -8.654 -4.996 -4.018) 10.770 11.414 ( -4.229 -2.442 -1.059) 4.997 11.508 ( 17.016 9.824 -27.673) 33.939 14.486 ( -9.807 -5.662 6.882) 13.251 16.013 ( 5.503 3.177 -19.488) 20.498======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.817 ( 17.641 10.185 13.015) 24.173 2.012 ( 22.722 13.118 7.616) 27.320 3.270 ( 43.139 24.907 3.198) 49.916 4.002 ( 3.959 2.286 -2.664) 5.291 4.638 ( 17.662 10.197 1.008) 20.419 7.048 ( -3.420 -1.975 -1.738) 4.315 8.438 ( 12.043 6.953 1.885) 14.034 9.814 ( -13.267 -7.660 3.649) 15.748 11.312 ( -4.427 -2.556 -1.261) 5.265 11.773 ( 13.118 7.574 -25.948) 30.046 14.274 ( -11.819 -6.824 11.761) 18.017 15.945 ( -4.840 -2.794 -16.637) 17.550======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.239 ( 17.100 9.872 7.363) 21.073 2.508 ( 19.964 11.526 5.249) 23.643 4.090 ( 4.670 2.696 -2.414) 5.909 4.181 ( 38.192 22.050 0.015) 44.101 5.044 ( 18.156 10.482 2.111) 21.071 6.954 ( -4.409 -2.545 -2.946) 5.882 8.733 ( 13.655 7.884 2.148) 15.913 9.593 ( -7.294 -4.211 4.713) 9.652 11.222 ( -2.936 -1.695 -1.433) 3.681 11.870 ( 2.796 1.615 -23.269) 23.492 14.042 ( -13.979 -8.071 16.903) 23.372 15.745 ( -6.763 -3.904 -16.376) 18.143======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.609 ( 14.549 8.400 2.706) 17.016 2.925 ( 16.286 9.403 3.306) 19.094 4.188 ( 4.736 2.734 -1.874) 5.781 4.942 ( 30.750 17.754 -3.495) 35.679 5.441 ( 16.557 9.559 3.054) 19.361 6.838 ( -5.083 -2.934 -1.940) 6.181 9.039 ( 12.909 7.453 2.347) 15.089 9.537 ( 0.935 0.540 4.250) 4.385 11.183 ( -0.006 -0.003 -1.603) 1.603 11.746 ( -6.469 -3.735 -21.768) 23.014 13.731 ( -20.261 -11.698 17.416) 29.166 15.599 ( -0.873 -0.504 -13.137) 13.175======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.892 ( 10.699 6.177 -1.153) 12.408 3.249 ( 12.192 7.039 1.831) 14.197 4.282 ( 4.190 2.419 -1.151) 4.973 5.508 ( 22.039 12.724 -7.734) 26.597 5.785 ( 13.279 7.667 3.568) 15.743 6.730 ( -4.201 -2.426 1.753) 5.158 9.303 ( 9.891 5.711 2.388) 11.668 9.658 ( 8.673 5.007 2.787) 10.395 11.214 ( 3.197 1.846 -1.732) 4.078 11.478 ( -10.409 -6.010 -19.521) 22.924 13.255 ( -26.884 -15.522 13.082) 33.687 15.623 ( 5.409 3.123 -6.908) 9.313======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.074 ( 6.603 3.812 -4.290) 8.748 3.476 ( 7.997 4.617 0.842) 9.273 4.362 ( 3.189 1.841 -0.361) 3.701 5.866 ( 13.477 7.781 -12.245) 19.802 6.041 ( 8.633 4.984 3.350) 10.516 6.680 ( -1.552 -0.896 7.664) 7.870 9.486 ( 5.933 3.425 2.164) 7.184 9.922 ( 14.009 8.088 0.800) 16.196 11.199 ( -8.520 -4.919 -16.136) 18.898 11.300 ( 4.744 2.739 -1.739) 5.747 12.669 ( -28.447 -16.424 9.615) 34.226 15.750 ( 6.657 3.844 -2.584) 8.110======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.160 ( 3.016 1.741 -6.644) 7.502 3.608 ( 3.767 2.175 0.209) 4.355 4.419 ( 1.923 1.110 0.405) 2.258 6.039 ( 6.911 3.990 -14.931) 16.930 6.189 ( 3.988 2.302 3.121) 5.562 6.704 ( -0.008 -0.005 12.431) 12.431 9.583 ( 2.345 1.354 1.724) 3.211 10.244 ( 13.665 7.889 -0.999) 15.810 11.031 ( -1.241 -0.716 -12.838) 12.918 11.391 ( 3.548 2.048 -1.624) 4.407 12.108 ( -23.841 -13.764 8.919) 28.938 15.871 ( 4.314 2.491 -0.821) 5.049======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.168 ( -0.048 -0.028 -8.137) 8.137 3.644 ( -0.558 -0.322 -0.298) 0.710 4.449 ( 0.529 0.305 1.075) 1.236 6.086 ( 1.804 1.042 -14.718) 14.865 6.260 ( 2.050 1.184 3.123) 3.918 6.729 ( -2.385 -1.377 14.075) 14.342 9.605 ( -0.698 -0.403 1.232) 1.473 10.404 ( -1.152 -0.665 -2.567) 2.891 11.111 ( 12.347 7.128 -10.184) 17.520 11.432 ( 0.438 0.253 -1.442) 1.528 11.751 ( -9.212 -5.319 9.534) 14.285 15.927 ( 0.971 0.561 -0.024) 1.122======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.104 ( -3.210 -1.853 -8.775) 9.526 3.580 ( -5.036 -2.908 -0.886) 5.882 4.449 ( -0.912 -0.527 1.592) 1.909 6.015 ( -4.117 -2.377 -12.186) 13.080 6.307 ( 0.547 0.316 2.320) 2.404 6.688 ( -4.877 -2.816 13.603) 14.723 9.561 ( -3.678 -2.124 0.802) 4.322 10.197 ( -14.273 -8.241 -3.345) 16.818 11.401 ( -2.661 -1.536 -1.203) 3.299 11.424 ( 15.875 9.165 -2.420) 18.490 11.812 ( 11.857 6.846 2.820) 13.979 15.923 ( -1.167 -0.674 1.300) 1.872======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.962 ( -7.087 -4.092 -8.640) 11.900 3.414 ( -9.657 -5.575 -1.646) 11.271 4.419 ( -2.315 -1.336 1.911) 3.286 5.826 ( -9.456 -5.460 -10.216) 14.953 6.212 ( -11.830 -6.830 5.942) 14.897 6.679 ( 1.928 1.113 8.364) 8.656 9.445 ( -7.063 -4.078 0.448) 8.168 9.841 ( -15.489 -8.943 -3.234) 18.175 11.321 ( -3.877 -2.238 -0.875) 4.561 11.777 ( 15.537 8.970 4.626) 18.528 12.189 ( 20.692 11.947 -6.392) 24.734 15.905 ( -0.686 -0.396 3.617) 3.703======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.727 ( -11.678 -6.743 -7.781) 15.569 3.142 ( -14.286 -8.248 -2.497) 16.684 4.361 ( -3.536 -2.041 2.008) 4.550 5.518 ( -16.202 -9.354 -8.327) 20.478 5.853 ( -21.240 -12.263 7.659) 25.693 6.800 ( 5.986 3.456 4.309) 8.145 9.249 ( -10.697 -6.176 0.131) 12.352 9.535 ( -10.427 -6.020 -3.229) 12.466 11.244 ( -2.467 -1.424 -0.453) 2.885 12.113 ( 12.785 7.381 2.623) 14.994 12.640 ( 21.900 12.644 -7.265) 26.311 15.935 ( 2.116 1.222 5.683) 6.186======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.393 ( -16.233 -9.372 -6.069) 19.702 2.767 ( -18.631 -10.757 -3.177) 21.747 4.279 ( -4.378 -2.528 1.884) 5.395 5.005 ( -29.182 -16.848 -2.680) 33.802 5.400 ( -20.181 -11.651 3.265) 23.531 6.941 ( 5.294 3.057 2.227) 6.506 8.980 ( -13.369 -7.718 -0.156) 15.438 9.384 ( -1.829 -1.056 -3.049) 3.709 11.220 ( 0.484 0.279 -0.036) 0.560 12.327 ( 6.258 3.613 -2.940) 7.801 13.109 ( 21.937 12.666 -2.935) 25.501 16.034 ( 4.884 2.820 5.272) 7.720======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.977 ( -19.665 -11.354 -3.018) 22.907 2.301 ( -22.292 -12.870 -3.310) 25.953 4.183 ( -4.676 -2.700 1.546) 5.617 4.234 ( -39.416 -22.757 1.858) 45.552 4.982 ( -18.346 -10.592 -0.230) 21.186 7.037 ( 2.906 1.678 0.668) 3.421 8.673 ( -13.808 -7.972 -0.349) 15.948 9.441 ( 7.673 4.430 -2.577) 9.227 11.262 ( 3.116 1.799 0.229) 3.605 12.371 ( -0.755 -0.436 -6.205) 6.266 13.581 ( 20.760 11.986 0.877) 23.987 16.165 ( 5.379 3.105 1.582) 6.409======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.769 ( -0.000 20.011 13.423) 24.096 1.037 ( -0.000 17.455 25.076) 30.553 1.479 ( -0.000 40.271 21.833) 45.809 3.927 ( -0.000 2.850 -1.285) 3.126 3.975 ( -0.000 8.991 -2.319) 9.285 7.292 ( 0.000 -17.292 8.670) 19.343 8.024 ( -0.000 4.527 0.575) 4.563 9.747 ( -0.000 49.144 -35.922) 60.873 11.411 ( 0.000 -0.105 -9.091) 9.092 11.507 ( 0.000 -2.382 -0.452) 2.425 14.654 ( 0.000 -7.148 4.044) 8.212 15.664 ( -0.000 27.924 -20.540) 34.665======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.246 ( 22.552 18.575 9.252) 30.647 1.345 ( 8.730 12.506 23.751) 28.226 2.118 ( 18.942 44.587 11.172) 49.715 3.942 ( -0.431 4.608 -1.979) 5.033 4.163 ( 9.552 11.537 -1.085) 15.017 7.160 ( -3.308 -5.861 2.859) 7.312 8.137 ( 6.003 6.863 1.087) 9.183 10.024 ( 5.830 -0.114 -12.335) 13.643 11.379 ( -1.800 7.339 -14.858) 16.669 11.481 ( -0.107 5.899 -8.736) 10.542 14.550 ( -4.378 -9.786 6.197) 12.382 15.892 ( 7.179 11.362 -19.937) 24.044======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.710 ( 12.895 11.200 17.486) 24.443 1.826 ( 21.900 18.363 6.851) 29.390 2.963 ( 29.891 38.164 4.713) 48.705 3.994 ( 1.314 6.181 -2.101) 6.659 4.482 ( 14.270 12.984 0.352) 19.296 7.075 ( -2.976 -2.854 -0.864) 4.213 8.350 ( 9.278 9.788 1.690) 13.592 9.894 ( -6.737 -13.566 1.659) 15.238 11.328 ( -2.178 -3.474 -3.093) 5.137 11.616 ( 7.155 15.636 -25.122) 30.443 14.378 ( -6.940 -11.242 10.032) 16.588 15.931 ( -1.566 0.985 -17.345) 17.444======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.093 ( 14.789 10.085 10.839) 20.927 2.359 ( 18.511 18.319 4.781) 26.479 3.808 ( 30.289 25.685 -0.742) 39.720 4.104 ( 4.529 12.271 -0.516) 13.091 4.869 ( 16.558 12.776 1.772) 20.989 6.988 ( -3.794 -2.544 -2.598) 5.255 8.635 ( 11.114 12.356 2.233) 16.768 9.663 ( -6.793 -10.042 4.319) 12.870 11.248 ( -2.541 -2.511 -1.794) 3.998 11.749 ( 4.862 5.855 -24.172) 25.342 14.181 ( -8.367 -12.416 14.935) 21.147 15.779 ( -7.442 -2.309 -16.768) 18.489======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.453 ( 14.433 7.983 5.151) 17.280 2.818 ( 14.428 17.515 2.825) 22.867 4.147 ( 5.172 5.932 -2.925) 8.395 4.649 ( 26.932 25.384 -1.511) 37.040 5.272 ( 16.566 11.328 3.044) 20.298 6.883 ( -4.580 -2.688 -2.308) 5.790 8.956 ( 10.865 13.792 2.761) 17.773 9.539 ( -1.179 -4.165 4.146) 5.994 11.196 ( -1.408 0.355 -1.674) 2.216 11.704 ( -2.111 -3.077 -22.623) 22.929 13.938 ( -12.911 -15.213 17.366) 26.452 15.591 ( -4.991 -0.850 -14.920) 15.756======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.748 ( 12.231 5.184 0.351) 13.289 3.189 ( 9.908 16.080 1.334) 18.935 4.267 ( 3.145 6.882 -1.782) 7.773 5.257 ( 22.204 17.629 -6.004) 28.980 5.643 ( 14.594 9.028 3.941) 17.608 6.780 ( -4.162 -2.298 0.411) 4.772 9.260 ( 8.205 13.803 3.192) 16.372 9.577 ( 5.900 1.273 2.676) 6.602 11.200 ( 0.404 2.873 -1.646) 3.336 11.496 ( -6.944 -6.911 -20.760) 22.955 13.545 ( -21.441 -18.317 14.014) 31.491 15.538 ( 3.223 1.353 -9.001) 9.656======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.956 ( 9.025 2.373 -3.665) 10.026 3.463 ( 5.330 14.207 0.526) 15.183 4.371 ( 1.554 7.532 -0.841) 7.736 5.674 ( 15.113 10.574 -10.538) 21.243 5.944 ( 10.909 6.176 4.223) 13.228 6.719 ( -1.912 -1.183 5.318) 5.774 9.503 ( 3.761 13.407 3.115) 14.269 9.766 ( 12.191 4.871 0.614) 13.143 11.160 ( -4.956 -8.085 -10.460) 14.119 11.331 ( -0.276 5.922 -8.711) 10.537 12.998 ( -26.688 -18.482 9.703) 33.881 15.632 ( 8.173 0.798 -3.561) 8.951======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.071 ( 5.693 0.017 -6.748) 8.829 3.642 ( 0.905 12.172 0.246) 12.208 4.454 ( -0.323 7.756 -0.008) 7.762 5.902 ( 8.808 5.192 -13.800) 17.175 6.144 ( 6.122 3.309 3.932) 7.993 6.732 ( 0.755 -0.493 10.299) 10.339 9.659 ( -1.414 13.204 2.544) 13.521 10.058 ( 15.895 6.121 -1.497) 17.099 10.956 ( -2.488 -8.628 -11.287) 14.424 11.413 ( 1.342 8.922 -3.757) 9.774 12.416 ( -25.980 -15.476 7.953) 31.268 15.764 ( 8.217 -1.555 -1.109) 8.437======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.104 ( 2.708 -1.885 -8.662) 9.269 3.729 ( -3.522 10.218 0.051) 10.808 4.507 ( -2.251 7.461 0.714) 7.826 5.994 ( 4.493 1.730 -14.774) 15.539 6.247 ( 2.589 1.302 3.927) 4.880 6.777 ( 0.257 -1.657 12.846) 12.955 9.727 ( -5.994 12.178 1.836) 13.697 10.339 ( 9.941 3.132 -2.888) 10.815 10.885 ( 7.483 -5.166 -8.968) 12.772 11.491 ( -0.416 7.863 -2.994) 8.424 11.949 ( -17.957 -8.113 8.380) 21.413 15.852 ( 5.784 -4.098 -0.345) 7.097======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.069 ( -0.130 -3.673 -9.355) 10.051 3.720 ( -8.193 8.349 -0.419) 11.705 4.526 ( -4.007 6.664 1.309) 7.885 5.984 ( -0.096 -1.639 -13.860) 13.957 6.303 ( 1.674 0.777 3.590) 4.036 6.772 ( -3.198 -3.838 13.430) 14.329 9.707 ( -9.291 9.340 1.247) 13.233 10.323 ( -8.951 -4.727 -3.505) 10.712 11.056 ( 18.004 -3.466 -5.650) 19.185 11.565 ( 1.186 11.879 -5.449) 13.123 11.769 ( -2.493 0.264 9.562) 9.886 15.878 ( 3.316 -5.613 0.396) 6.532======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.965 ( -3.424 -5.621 -8.974) 11.129 3.611 ( -13.154 6.355 -1.220) 14.659 4.511 ( -5.499 5.469 1.701) 7.940 5.864 ( -5.416 -4.848 -11.701) 13.775 6.313 ( -3.534 -2.087 3.685) 5.516 6.712 ( -2.878 -3.420 11.593) 12.425 9.606 ( -11.624 4.908 0.896) 12.649 10.023 ( -16.470 -6.696 -3.119) 18.050 11.250 ( 8.950 -4.685 -1.953) 10.289 11.711 ( 4.634 14.382 -4.323) 15.716 11.955 ( 16.636 5.745 3.609) 17.966 15.874 ( 2.571 -5.269 1.953) 6.179======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.783 ( -7.581 -7.582 -7.708) 13.205 3.396 ( -18.205 4.068 -2.133) 18.775 4.461 ( -6.652 3.995 1.809) 7.968 5.634 ( -11.020 -7.201 -9.806) 16.415 6.101 ( -17.239 -9.210 6.883) 20.722 6.748 ( 4.561 0.872 6.156) 7.711 9.421 ( -13.465 -0.310 0.589) 13.482 9.691 ( -15.292 -3.654 -2.634) 15.941 11.262 ( -1.038 -1.568 -1.471) 2.387 11.969 ( 12.428 8.731 -3.718) 15.637 12.362 ( 22.029 8.590 0.015) 23.644 15.894 ( 3.946 -3.148 3.682) 6.249======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.515 ( -12.386 -8.989 -5.579) 16.290 3.072 ( -22.963 1.649 -2.797) 23.192 4.381 ( -7.315 2.375 1.599) 7.855 5.275 ( -20.183 -9.927 -7.165) 23.606 5.668 ( -23.324 -11.856 6.734) 27.017 6.876 ( 6.348 1.836 2.885) 7.211 9.170 ( -14.955 -2.783 0.571) 15.223 9.451 ( -9.251 -0.709 -2.481) 9.604 11.226 ( -1.221 0.317 -0.977) 1.596 12.204 ( 10.143 3.659 -8.033) 13.446 12.832 ( 23.524 9.278 2.356) 25.397 15.972 ( 5.997 -0.678 3.696) 7.077======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.168 ( -17.008 -9.158 -2.240) 19.447 2.652 ( -26.997 -0.321 -2.833) 27.148 4.277 ( -7.345 0.685 0.988) 7.443 4.687 ( -34.917 -14.015 -1.206) 37.643 5.211 ( -20.565 -9.602 2.312) 22.814 6.991 ( 4.696 1.127 0.840) 4.902 8.877 ( -16.846 -3.204 0.512) 17.155 9.382 ( 1.450 2.249 -2.028) 3.357 11.233 ( 1.535 0.999 -0.513) 1.902 12.311 ( 4.378 -0.098 -10.676) 11.540 13.323 ( 23.182 8.926 4.752) 25.291 16.089 ( 6.658 0.479 0.768) 6.719======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.284 ( -0.000 25.099 7.708) 26.255 1.482 ( -0.000 12.922 23.989) 27.248 2.467 ( -0.000 48.906 8.430) 49.627 3.991 ( -0.000 4.599 -1.232) 4.762 4.208 ( -0.000 16.478 -1.360) 16.534 7.137 ( 0.000 -5.419 1.748) 5.694 8.164 ( -0.000 9.624 0.838) 9.660 9.923 ( 0.000 -5.950 -6.656) 8.928 11.437 ( 0.000 -4.428 -0.589) 4.467 11.502 ( -0.000 18.287 -25.136) 31.085 14.496 ( 0.000 -12.895 7.275) 14.805 15.887 ( 0.000 11.090 -18.219) 21.329======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.704 ( 16.509 22.488 7.144) 28.797 1.730 ( 6.332 12.736 18.269) 23.153 3.048 ( 11.581 45.520 3.710) 47.117 4.039 ( 0.688 6.549 -1.295) 6.712 4.443 ( 7.527 18.012 0.192) 19.523 7.082 ( -1.704 -3.270 -0.528) 3.725 8.327 ( 6.329 12.056 1.385) 13.687 9.812 ( -0.771 -14.619 0.844) 14.664 11.341 ( -4.222 -3.043 -3.339) 6.184 11.615 ( 2.640 15.100 -24.156) 28.609 14.366 ( -2.854 -14.785 9.919) 18.031 15.912 ( -0.377 4.345 -16.824) 17.380======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.029 ( 9.791 10.701 13.604) 19.886 2.248 ( 19.486 21.329 4.168) 29.189 3.693 ( 17.115 34.011 -1.973) 38.125 4.156 ( 4.361 12.521 0.148) 13.259 4.780 ( 11.476 17.530 1.995) 21.047 7.012 ( -2.945 -2.499 -2.111) 4.402 8.601 ( 9.933 14.939 2.307) 18.087 9.645 ( -3.041 -13.240 3.795) 14.105 11.245 ( -2.080 -2.967 -3.435) 4.993 11.686 ( 1.528 7.638 -22.819) 24.112 14.195 ( -4.451 -16.168 13.588) 21.584 15.824 ( -5.772 0.099 -16.252) 17.247======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.336 ( 11.407 8.428 7.588) 16.085 2.763 ( 16.404 20.850 2.688) 26.665 4.102 ( 7.609 11.840 -5.310) 15.042 4.540 ( 17.560 26.870 0.146) 32.099 5.156 ( 13.114 15.770 3.507) 20.808 6.923 ( -3.985 -2.365 -2.167) 5.116 8.943 ( 10.692 17.503 3.494) 20.806 9.517 ( -1.182 -7.289 3.635) 8.230 11.198 ( 0.222 -0.978 -3.332) 3.480 11.639 ( -2.154 -1.288 -21.401) 21.548 13.992 ( -6.799 -18.464 16.385) 25.605 15.645 ( -7.876 -0.222 -15.165) 17.089======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.608 ( 11.005 5.370 2.311) 12.462 3.201 ( 11.473 20.685 1.333) 23.691 4.276 ( 4.426 9.629 -3.733) 11.236 5.084 ( 18.935 20.824 -4.141) 28.449 5.525 ( 12.731 12.886 4.331) 18.625 6.828 ( -4.082 -1.947 -0.224) 4.527 9.292 ( 8.571 17.356 5.216) 20.047 9.509 ( 3.758 0.261 1.247) 3.968 11.215 ( 1.895 3.043 -2.934) 4.632 11.454 ( -5.930 -7.417 -20.193) 22.314 13.694 ( -13.378 -21.224 14.913) 29.186 15.507 ( -2.695 0.762 -10.860) 11.216======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.813 ( 9.216 2.227 -2.161) 9.725 3.546 ( 5.951 20.223 0.542) 21.088 4.422 ( 2.805 10.458 -2.421) 11.095 5.508 ( 14.673 13.033 -8.094) 21.229 5.842 ( 10.847 8.778 4.633) 14.703 6.761 ( -2.661 -1.104 3.511) 4.542 9.564 ( 8.236 8.012 4.751) 12.434 9.669 ( 5.746 14.325 -0.308) 15.438 11.169 ( -8.952 -7.575 -12.199) 16.921 11.320 ( 4.562 5.440 -8.007) 10.701 13.242 ( -20.912 -21.250 10.496) 31.608 15.503 ( 4.729 -0.700 -5.039) 6.946======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.941 ( 6.786 -0.354 -5.637) 8.829 3.790 ( 0.536 19.268 0.366) 19.279 4.550 ( 0.579 11.407 -1.204) 11.485 5.765 ( 9.145 6.946 -11.747) 16.428 6.078 ( 7.828 4.623 4.767) 10.265 6.748 ( -0.093 -0.849 7.794) 7.841 9.807 ( 10.426 8.262 1.602) 13.399 9.898 ( 3.344 16.864 -0.168) 17.194 10.911 ( -6.633 -8.605 -10.557) 15.149 11.449 ( 3.663 9.340 -5.030) 11.223 12.702 ( -23.859 -17.899 7.413) 30.734 15.585 ( 8.452 -4.190 -1.568) 9.563======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.997 ( 4.216 -2.139 -7.842) 9.157 3.936 ( -4.453 17.836 0.364) 18.387 4.647 ( -2.254 11.995 -0.059) 12.205 5.883 ( 5.195 2.579 -13.535) 14.726 6.221 ( 4.031 1.734 4.250) 6.109 6.782 ( 1.455 -2.170 10.943) 11.250 10.010 ( -4.963 19.279 2.861) 20.112 10.138 ( 13.731 5.867 -4.948) 15.730 10.747 ( -0.128 -6.369 -6.193) 8.884 11.554 ( 0.259 7.257 -3.554) 8.085 12.209 ( -20.051 -10.309 6.041) 23.342 15.669 ( 8.544 -7.657 -0.433) 11.481======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.990 ( 1.571 -3.324 -8.659) 9.408 3.986 ( -9.200 15.932 0.016) 18.397 4.702 ( -5.184 11.913 0.947) 13.027 5.905 ( 2.091 -1.106 -13.640) 13.844 6.290 ( 2.059 0.478 3.641) 4.210 6.805 ( -0.241 -4.422 12.267) 13.042 10.033 ( -13.251 16.253 1.214) 21.005 10.333 ( 4.725 -0.285 -5.292) 7.100 10.778 ( 9.916 0.602 -3.375) 10.492 11.574 ( 0.733 1.115 -0.880) 1.598 11.938 ( -10.193 2.412 3.868) 11.166 15.715 ( 7.168 -9.698 -0.035) 12.059======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.927 ( -1.462 -4.219 -8.192) 9.330 3.934 ( -13.984 13.454 -0.807) 19.422 4.708 ( -7.727 10.943 1.595) 13.491 5.837 ( -1.789 -4.484 -12.232) 13.150 6.331 ( 0.826 -0.262 2.692) 2.829 6.764 ( -3.230 -5.924 12.040) 13.802 9.907 ( -15.717 7.667 0.450) 17.493 10.222 ( -12.439 -1.802 -3.113) 12.949 11.017 ( 14.186 4.330 -2.764) 15.087 11.695 ( 11.333 4.874 -4.782) 13.231 11.885 ( -2.901 5.087 5.719) 8.185 15.732 ( 6.315 -9.472 0.744) 11.408======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.804 ( -5.226 -4.866 -6.650) 9.757 3.772 ( -18.816 10.410 -1.799) 21.579 4.665 ( -9.571 8.948 1.649) 13.206 5.680 ( -6.299 -6.260 -10.082) 13.436 6.270 ( -8.746 -5.021 3.835) 10.790 6.717 ( 0.729 -3.096 8.568) 9.140 9.670 ( -16.212 -0.678 0.045) 16.226 9.956 ( -17.593 2.267 -1.217) 17.780 11.225 ( 5.430 4.335 -3.070) 7.595 11.870 ( 6.097 6.808 -11.534) 14.716 12.090 ( 18.796 3.967 9.951) 21.634 15.763 ( 6.877 -7.105 1.738) 10.040======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.614 ( -9.710 -4.912 -4.178) 11.656 3.498 ( -23.405 7.174 -2.494) 24.606 4.575 ( -10.480 6.011 1.054) 12.127 5.438 ( -12.236 -6.156 -7.941) 15.833 5.961 ( -20.661 -9.574 5.913) 23.527 6.790 ( 6.087 -0.151 3.877) 7.219 9.393 ( -14.465 -2.676 0.564) 14.721 9.684 ( -17.647 3.006 -0.900) 17.924 11.265 ( -2.329 3.451 -2.644) 4.932 12.020 ( 10.849 2.261 -12.950) 17.044 12.533 ( 23.515 6.193 9.188) 25.994 15.841 ( 8.131 -4.139 1.550) 9.254======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.363 ( -14.385 -3.782 -0.708) 14.891 3.122 ( -27.281 4.464 -2.472) 27.754 4.443 ( -10.374 2.515 -0.160) 10.675 5.075 ( -23.614 -5.550 -4.629) 24.695 5.502 ( -23.744 -9.171 5.095) 25.959 6.907 ( 6.401 0.049 1.075) 6.491 9.141 ( -15.323 -1.127 1.903) 15.482 9.457 ( -10.024 1.987 -1.496) 10.328 11.243 ( -1.887 2.166 -1.808) 3.394 12.153 ( 9.113 -0.442 -14.640) 17.250 13.026 ( 24.154 6.472 10.093) 26.967 15.953 ( 8.551 -2.490 -1.011) 8.964======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.813 ( -0.000 25.276 5.114) 25.788 1.861 ( -0.000 11.785 17.658) 21.230 3.408 ( -0.000 44.914 0.718) 44.919 4.082 ( -0.000 5.705 -1.284) 5.848 4.584 ( -0.000 22.642 1.525) 22.693 7.065 ( 0.000 -2.766 -1.075) 2.967 8.401 ( -0.000 14.120 1.396) 14.189 9.682 ( 0.000 -14.442 2.887) 14.728 11.338 ( 0.000 -5.203 -0.916) 5.283 11.638 ( 0.000 12.139 -26.406) 29.062 14.269 ( 0.000 -17.111 11.294) 20.502 15.907 ( 0.000 4.112 -15.861) 16.386======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.060 ( 4.475 10.495 13.522) 17.692 2.189 ( 13.512 23.459 3.969) 27.361 3.851 ( 4.559 36.005 -3.632) 36.474 4.180 ( 5.380 9.761 -0.532) 11.158 4.859 ( 4.361 24.193 3.325) 24.807 7.022 ( -1.684 -2.271 -1.877) 3.394 8.612 ( 7.079 16.153 2.071) 17.757 9.560 ( -0.591 -12.263 4.558) 13.096 11.250 ( -3.330 -3.955 -2.787) 5.873 11.653 ( 1.164 5.095 -23.535) 24.108 14.123 ( -1.825 -18.833 13.474) 23.228 15.859 ( -3.419 2.037 -15.244) 15.755======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.289 ( 7.321 8.348 8.408) 13.927 2.685 ( 17.780 21.452 2.996) 28.023 4.129 ( 2.783 15.787 -5.709) 17.017 4.517 ( 14.294 22.612 -1.161) 26.776 5.195 ( 6.434 23.567 4.372) 24.818 6.954 ( -3.069 -1.980 -1.885) 4.110 8.945 ( 11.293 18.516 3.515) 21.971 9.470 ( -0.322 -7.268 4.199) 8.400 11.165 ( -0.901 -2.514 -4.962) 5.635 11.595 ( -1.589 -1.522 -19.934) 20.055 13.938 ( -3.479 -20.932 15.317) 26.170 15.730 ( -7.419 1.091 -14.300) 16.147======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.508 ( 8.376 5.455 3.517) 10.596 3.181 ( 15.995 20.821 2.047) 26.335 4.292 ( 3.797 12.034 -5.190) 13.645 4.972 ( 16.365 18.215 -2.970) 24.666 5.534 ( 6.740 20.515 4.044) 21.969 6.876 ( -3.677 -1.380 -0.421) 3.950 9.324 ( 9.012 15.241 6.957) 19.024 9.467 ( 4.228 3.715 0.360) 5.640 11.150 ( 3.738 -1.058 -7.801) 8.714 11.440 ( -5.743 -4.861 -15.596) 17.316 13.695 ( -7.021 -23.427 14.897) 28.636 15.566 ( -7.387 1.146 -11.469) 13.690======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.687 ( 7.922 2.444 -0.710) 8.321 3.616 ( 11.089 21.230 1.375) 23.991 4.456 ( 4.125 11.773 -4.482) 13.255 5.366 ( 14.844 11.859 -4.459) 19.516 5.822 ( 5.851 14.611 3.200) 16.061 6.812 ( -3.209 -0.485 2.333) 3.997 9.480 ( 5.757 2.043 1.967) 6.417 9.766 ( 7.932 21.936 3.695) 23.617 11.151 ( -1.050 -7.087 -18.051) 19.421 11.292 ( 0.021 4.112 -3.075) 5.134 13.344 ( -13.111 -24.089 11.634) 29.792 15.455 ( -2.393 -0.384 -6.665) 7.092======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.811 ( 6.552 0.004 -3.992) 7.672 3.958 ( 4.608 21.829 1.082) 22.336 4.621 ( 3.543 11.983 -3.304) 12.925 5.648 ( 10.081 7.555 -7.617) 14.721 6.031 ( 5.444 7.460 3.904) 10.026 6.779 ( -1.830 -0.472 5.391) 5.712 9.642 ( 10.487 3.676 -2.501) 11.391 10.089 ( 3.526 22.215 5.599) 23.180 10.930 ( -7.981 -6.196 -12.416) 16.008 11.430 ( 6.803 8.728 -4.885) 12.097 12.893 ( -18.133 -21.246 7.986) 29.051 15.429 ( 3.434 -4.413 -2.533) 6.138======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.880 ( 4.753 -1.526 -6.110) 7.889 4.190 ( -2.106 21.579 0.846) 21.698 4.776 ( 1.619 12.697 -1.525) 12.890 5.792 ( 4.566 4.178 -11.012) 12.632 6.178 ( 4.843 2.219 4.700) 7.104 6.775 ( 0.138 -2.357 8.148) 8.484 9.873 ( 14.272 3.791 -6.081) 15.970 10.353 ( -0.795 23.743 6.175) 24.546 10.719 ( -6.411 -4.645 -7.081) 10.621 11.591 ( 2.961 8.290 -4.651) 9.956 12.431 ( -17.968 -14.345 5.356) 23.608 15.450 ( 6.953 -8.979 -0.605) 11.372======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.901 ( 2.691 -2.216 -6.975) 7.798 4.307 ( -8.000 19.836 0.260) 21.390 4.900 ( -2.131 13.936 0.616) 14.111 5.820 ( 1.468 -0.052 -12.311) 12.398 6.265 ( 2.880 0.060 3.476) 4.515 6.785 ( 1.236 -5.134 10.268) 11.546 10.123 ( 14.136 2.141 -7.721) 16.249 10.438 ( -14.822 12.719 -1.698) 19.605 10.708 ( 6.439 9.359 4.273) 12.137 11.603 ( -4.680 -0.515 -1.549) 4.956 12.127 ( -10.035 -1.048 1.635) 10.221 15.475 ( 8.293 -11.925 -0.096) 14.525======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.881 ( 0.230 -2.320 -6.630) 7.028 4.306 ( -13.125 16.747 -0.661) 21.288 4.967 ( -7.054 14.488 2.179) 16.261 5.766 ( -0.243 -4.460 -11.795) 12.612 6.311 ( 1.983 -0.362 1.829) 2.721 6.771 ( -0.428 -7.160 10.887) 13.037 10.232 ( -16.498 3.187 -1.697) 16.889 10.282 ( 4.432 -0.011 -6.369) 7.759 10.971 ( 4.405 19.427 4.304) 20.379 11.540 ( 4.480 -3.569 -0.069) 5.728 12.029 ( -6.354 4.012 -0.544) 7.535 15.501 ( 8.815 -11.993 0.182) 14.885======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.818 ( -2.870 -1.989 -5.194) 6.259 4.186 ( -17.888 12.720 -1.593) 22.008 4.951 ( -11.391 12.349 2.025) 16.922 5.657 ( -2.150 -5.978 -9.488) 11.419 6.322 ( -1.171 -1.902 0.820) 2.379 6.714 ( -1.562 -6.741 9.699) 11.914 9.938 ( -17.937 -1.860 -1.533) 18.098 10.230 ( -9.746 2.115 -1.431) 10.075 11.221 ( 3.347 17.493 -2.267) 17.954 11.712 ( 14.639 0.628 -4.819) 15.424 11.979 ( 0.055 0.336 5.264) 5.275 15.549 ( 9.476 -9.370 0.486) 13.336======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.711 ( -6.662 -1.109 -2.823) 7.320 3.947 ( -22.204 8.333 -2.180) 23.817 4.840 ( -13.338 7.106 0.216) 15.115 5.519 ( -6.086 -3.252 -6.198) 9.275 6.181 ( -12.612 -6.151 2.398) 14.236 6.707 ( 3.782 -2.980 5.485) 7.299 9.621 ( -16.480 -2.447 -0.381) 16.665 10.022 ( -17.309 2.785 0.331) 17.535 11.365 ( -2.739 11.755 -4.692) 12.949 11.814 ( 7.406 -2.876 -14.735) 16.740 12.243 ( 21.401 3.412 14.340) 25.986 15.640 ( 10.114 -5.935 -0.076) 11.727======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.559 ( -10.807 0.627 0.323) 10.830 3.602 ( -25.680 4.509 -2.118) 26.159 4.657 ( -13.021 1.484 -1.859) 13.237 5.339 ( -13.152 1.122 -3.456) 13.645 5.829 ( -21.955 -7.085 3.524) 23.337 6.794 ( 6.781 -1.468 1.840) 7.179 9.362 ( -13.013 -0.718 1.534) 13.123 9.732 ( -19.055 1.454 -0.123) 19.111 11.337 ( -6.652 4.849 -2.930) 8.738 11.906 ( 12.239 -2.369 -17.217) 21.256 12.720 ( 24.187 4.672 14.659) 28.665 15.759 ( 9.910 -3.904 -2.493) 10.939======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.163 ( -0.000 9.453 10.900) 14.428 2.313 ( -0.000 23.578 3.771) 23.878 4.160 ( -0.000 34.654 -5.102) 35.028 4.187 ( -0.000 6.074 -1.394) 6.232 5.093 ( -0.000 27.927 4.442) 28.278 7.009 ( 0.000 -1.971 -1.897) 2.735 8.713 ( -0.000 16.850 2.024) 16.971 9.479 ( 0.000 -8.875 5.792) 10.598 11.236 ( 0.000 -4.335 -1.344) 4.538 11.586 ( 0.000 0.571 -24.500) 24.507 13.993 ( 0.000 -20.767 14.072) 25.086 15.863 ( 0.000 2.513 -14.186) 14.407======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.305 ( 3.315 7.523 7.395) 11.058 2.647 ( 11.672 21.606 3.106) 24.753 4.232 ( -0.318 9.918 -3.155) 10.413 4.525 ( 8.870 24.443 -4.442) 26.380 5.397 ( 1.857 28.036 4.252) 28.417 6.972 ( -1.691 -1.509 -1.632) 2.793 8.959 ( 8.528 17.799 2.757) 19.928 9.433 ( -0.220 -4.263 5.776) 7.183 11.160 ( -3.183 -3.031 -3.809) 5.816 11.504 ( 1.193 -4.136 -20.710) 21.152 13.821 ( -1.605 -22.718 14.516) 27.008 15.803 ( -4.550 2.310 -12.949) 13.918======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.457 ( 5.306 5.000 3.694) 8.173 3.099 ( 16.994 19.541 2.430) 26.011 4.340 ( 2.585 10.972 -4.163) 12.016 4.885 ( 11.954 16.939 -3.295) 20.992 5.700 ( 2.045 24.739 2.794) 24.980 6.919 ( -2.775 -0.518 -0.451) 2.859 9.331 ( 11.416 16.553 6.020) 20.989 9.440 ( 2.716 3.133 1.964) 4.588 11.071 ( -0.925 -3.235 -8.556) 9.193 11.404 ( -0.809 -4.677 -14.067) 14.846 13.598 ( -3.756 -24.780 13.891) 28.655 15.676 ( -7.941 2.081 -10.765) 13.538======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.595 ( 5.957 2.422 0.367) 6.442 3.576 ( 16.985 18.632 1.995) 25.291 4.492 ( 3.783 12.213 -4.867) 13.681 5.218 ( 13.448 10.093 -2.061) 16.940 5.940 ( 0.880 18.490 1.077) 18.542 6.873 ( -3.151 0.871 1.536) 3.612 9.454 ( 1.400 3.746 2.151) 4.541 9.806 ( 14.013 20.377 4.271) 25.096 11.008 ( 2.373 -5.629 -14.059) 15.329 11.322 ( -1.236 0.880 -6.371) 6.549 13.308 ( -7.234 -25.838 11.711) 29.276 15.525 ( -7.898 0.926 -7.315) 10.805======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.701 ( 5.593 0.393 -2.231) 6.035 4.018 ( 13.243 19.069 1.999) 23.302 4.658 ( 3.801 12.562 -5.013) 14.049 5.504 ( 12.621 5.516 -2.402) 13.982 6.088 ( -0.237 10.907 0.937) 10.949 6.840 ( -3.316 1.232 3.377) 4.891 9.546 ( 4.781 5.215 -2.419) 7.477 10.206 ( 8.717 18.104 7.100) 21.311 10.929 ( -1.105 -2.881 -13.847) 14.187 11.378 ( 5.723 6.809 -4.082) 9.787 12.946 ( -11.304 -24.280 8.750) 28.176 15.394 ( -4.579 -2.357 -3.635) 6.304======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.773 ( 4.624 -0.759 -3.932) 6.117 4.380 ( 6.090 20.542 2.154) 21.534 4.823 ( 4.205 11.369 -4.152) 12.813 5.712 ( 7.914 4.055 -5.583) 10.499 6.164 ( 0.790 3.674 3.134) 4.893 6.803 ( -3.052 -0.848 4.779) 5.734 9.697 ( 9.011 5.181 -6.057) 12.030 10.485 ( 6.059 10.041 8.079) 14.241 10.841 ( -7.089 7.458 -8.023) 13.048 11.571 ( 7.826 9.459 -5.471) 13.441 12.551 ( -13.140 -19.062 6.090) 23.940 15.303 ( -0.009 -7.160 -1.158) 7.253======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.815 ( 3.289 -1.049 -4.700) 5.832 4.607 ( -3.569 20.624 1.053) 20.957 4.997 ( 5.212 10.747 -1.162) 12.000 5.789 ( 0.112 3.016 -9.269) 9.748 6.220 ( 3.038 -1.094 4.097) 5.217 6.759 ( -1.190 -4.568 6.643) 8.150 9.896 ( 12.199 3.940 -7.697) 14.953 10.625 ( 0.090 -0.133 -1.241) 1.251 10.837 ( -3.838 18.090 5.973) 19.433 11.692 ( -2.777 5.746 -4.181) 7.629 12.245 ( -7.896 -7.398 2.373) 11.077 15.249 ( 4.335 -11.139 -0.153) 11.954======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.832 ( 1.592 -0.665 -4.553) 4.869 4.666 ( -10.636 16.766 -0.697) 19.867 5.179 ( 1.423 13.553 2.798) 13.912 5.719 ( -4.367 -2.114 -10.311) 11.395 6.268 ( 3.031 -1.434 1.343) 3.612 6.723 ( 0.764 -7.697 8.458) 11.462 10.108 ( 11.924 2.220 -7.119) 14.064 10.497 ( -13.324 2.191 -4.123) 14.119 11.079 ( 9.327 12.440 11.594) 19.395 11.577 ( -10.867 3.016 -2.334) 11.517 12.145 ( -4.435 1.600 -1.988) 5.117 15.238 ( 7.965 -11.876 0.074) 14.300======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.824 ( -0.625 0.225 -3.522) 3.584 4.579 ( -15.556 11.466 -1.600) 19.391 5.277 ( -9.791 15.102 3.932) 18.423 5.581 ( -0.605 -6.882 -8.859) 11.235 6.299 ( 1.831 -1.053 -1.221) 2.440 6.684 ( 0.261 -8.467 8.624) 12.088 10.213 ( -13.285 0.703 -6.610) 14.855 10.269 ( 0.087 0.489 -0.289) 0.575 11.429 ( 17.315 2.747 8.502) 19.484 11.466 ( -8.634 14.690 -3.722) 17.441 12.043 ( -6.913 -1.960 -1.788) 7.404 15.291 ( 10.421 -8.973 0.008) 13.751======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.790 ( -3.472 1.574 -1.699) 4.173 4.361 ( -19.814 5.875 -1.930) 20.757 5.137 ( -15.733 3.456 -2.027) 16.235 5.550 ( -0.555 2.328 -1.558) 2.855 6.272 ( -3.715 -2.741 -1.887) 4.988 6.645 ( 1.328 -6.092 6.769) 9.203 9.897 ( -18.783 -0.272 -1.957) 18.886 10.249 ( -7.116 0.670 -0.061) 7.147 11.480 ( 3.977 5.710 -12.778) 14.550 11.702 ( -3.651 5.021 -1.518) 6.391 12.001 ( 13.291 -1.817 12.228) 18.151 15.406 ( 11.202 -4.796 -0.710) 12.206======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.727 ( -6.805 3.445 0.705) 7.660 4.030 ( -23.030 1.082 -1.816) 23.127 4.874 ( -14.397 -2.553 -3.952) 15.146 5.537 ( -7.129 7.210 0.734) 10.166 6.084 ( -14.080 -4.053 -0.741) 14.670 6.676 ( 5.422 -3.246 3.324) 7.141 9.605 ( -16.023 1.113 0.139) 16.063 10.045 ( -16.751 -0.652 0.654) 16.776 11.532 ( -11.957 2.680 -2.570) 12.520 11.601 ( 12.729 -2.841 -17.775) 22.047 12.412 ( 23.497 3.017 16.197) 28.698 15.550 ( 10.220 -2.080 -2.749) 10.786======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.365 ( -0.000 5.986 5.293) 7.991 2.760 ( -0.000 20.527 2.943) 20.737 4.292 ( -0.000 5.753 -1.477) 5.940 4.677 ( -0.000 23.798 -5.736) 24.479 5.667 ( -0.000 27.659 2.966) 27.817 6.970 ( 0.000 -0.698 -1.250) 1.432 9.054 ( -0.000 16.637 2.397) 16.809 9.437 ( -0.000 0.221 6.686) 6.689 11.164 ( 0.000 -1.827 -1.647) 2.460 11.355 ( 0.000 -7.404 -21.599) 22.833 13.656 ( 0.000 -24.290 13.634) 27.855 15.827 ( 0.000 2.900 -11.367) 11.732======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.449 ( 2.418 3.961 3.065) 5.561 3.050 ( 10.723 18.267 2.466) 21.325 4.367 ( 2.976 6.744 -2.122) 7.671 4.903 ( 4.610 17.888 -4.045) 18.911 5.926 ( 0.179 23.748 1.038) 23.772 6.954 ( -1.424 0.862 -0.399) 1.712 9.308 ( 10.501 15.993 2.979) 19.363 9.475 ( -0.769 4.495 5.466) 7.118 11.065 ( -5.623 -4.065 -8.690) 11.121 11.279 ( 4.557 -4.852 -12.222) 13.917 13.446 ( -1.809 -25.696 12.281) 28.537 15.778 ( -4.991 2.925 -9.351) 10.996======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.537 ( 3.846 1.967 1.077) 4.452 3.457 ( 16.918 16.003 2.025) 23.375 4.506 ( 5.600 8.992 -3.251) 11.081 5.134 ( 7.460 11.156 -1.703) 13.528 6.120 ( -0.936 17.403 -0.711) 17.442 6.942 ( -2.372 2.972 0.816) 3.889 9.520 ( -1.737 7.162 3.468) 8.145 9.721 ( 17.799 16.036 2.814) 24.123 10.905 ( -2.301 -6.515 -11.375) 13.309 11.293 ( 2.908 0.764 -6.285) 6.967 13.186 ( -4.034 -26.380 10.321) 28.613 15.660 ( -8.648 2.221 -6.745) 11.189======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.618 ( 4.338 0.505 -0.483) 4.394 3.910 ( 18.688 14.465 1.926) 23.710 4.690 ( 5.658 11.649 -4.402) 13.678 5.352 ( 9.877 4.902 0.146) 11.027 6.221 ( -2.523 10.541 -1.131) 10.897 6.932 ( -3.643 3.967 1.597) 5.618 9.572 ( -0.956 7.986 -1.043) 8.110 10.179 ( 15.977 13.806 5.479) 21.815 10.821 ( 3.745 -3.051 -11.240) 12.234 11.352 ( 3.247 5.149 -3.783) 7.167 12.879 ( -6.542 -25.435 8.083) 27.478 15.498 ( -9.819 0.201 -3.943) 10.583======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.687 ( 4.125 -0.189 -1.543) 4.409 4.353 ( 17.183 13.775 2.390) 22.152 4.869 ( 3.052 13.062 -5.026) 14.324 5.558 ( 11.347 1.062 0.053) 11.397 6.240 ( -3.431 4.702 0.228) 5.825 6.894 ( -5.522 2.294 1.714) 6.220 9.644 ( 2.226 7.354 -4.467) 8.888 10.465 ( 6.291 2.908 6.701) 9.640 10.927 ( 6.329 10.953 -8.079) 15.010 11.492 ( 8.270 7.461 -3.671) 11.728 12.549 ( -8.235 -21.854 6.186) 24.160 15.320 ( -8.385 -3.286 -1.698) 9.164======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.742 ( 3.466 -0.141 -2.118) 4.064 4.748 ( 12.107 14.721 3.425) 19.366 4.997 ( 0.948 10.290 -4.741) 11.369 5.737 ( 8.458 1.786 -3.154) 9.202 6.211 ( -2.560 -0.759 2.714) 3.808 6.805 ( -6.181 -1.390 2.077) 6.667 9.764 ( 6.493 6.154 -5.493) 10.498 10.576 ( 5.137 0.128 3.390) 6.156 11.060 ( -3.441 11.797 -0.261) 12.291 11.717 ( 8.095 9.374 -5.234) 13.446 12.265 ( -5.797 -13.798 4.508) 15.631 15.156 ( -4.523 -7.018 -0.436) 8.361======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.786 ( 2.495 0.514 -2.204) 3.369 4.965 ( -6.987 15.027 -0.127) 16.572 5.149 ( 12.247 5.182 0.611) 13.312 5.803 ( -3.828 4.593 -6.484) 8.820 6.189 ( 2.875 -4.530 3.105) 6.199 6.695 ( -3.662 -5.418 3.604) 7.467 9.937 ( 9.601 5.068 -4.714) 11.836 10.652 ( -0.968 4.046 -2.482) 4.844 11.062 ( -1.272 -0.696 7.009) 7.157 11.802 ( -6.168 8.363 -2.017) 10.585 12.175 ( 1.037 -1.252 -0.297) 1.653 15.052 ( 1.533 -8.356 0.012) 8.495======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.820 ( 1.174 1.644 -1.753) 2.674 4.897 ( -12.311 6.967 -1.523) 14.227 5.397 ( 9.608 3.694 1.322) 10.378 5.663 ( -14.345 5.202 -2.970) 15.545 6.231 ( 4.501 -2.045 -1.961) 5.319 6.617 ( 0.093 -7.933 5.515) 9.662 10.130 ( 9.244 4.267 -3.910) 10.907 10.530 ( -16.147 3.942 -3.524) 16.991 11.143 ( 12.968 -8.481 5.701) 16.510 11.762 ( -7.279 10.178 2.219) 12.708 12.142 ( -5.942 0.805 -2.922) 6.670 15.062 ( 7.738 -5.465 -0.034) 9.473======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.843 ( -0.645 3.138 -0.758) 3.293 4.689 ( -16.283 0.344 -1.502) 16.356 5.343 ( -10.645 -7.764 -6.906) 14.876 5.638 ( -1.927 13.957 6.997) 15.731 6.259 ( 1.372 -0.544 -5.190) 5.395 6.577 ( 1.644 -7.456 5.957) 9.683 10.204 ( -13.915 3.339 -7.171) 16.006 10.304 ( -2.732 2.212 3.494) 4.956 11.272 ( 10.514 -9.445 -6.222) 15.442 11.826 ( 6.418 1.925 9.647) 11.746 11.983 ( -12.960 4.380 -2.657) 13.936 15.191 ( 10.736 -0.552 -0.575) 10.765======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.852 ( -3.015 4.905 0.639) 5.792 4.362 ( -19.479 -4.774 -1.428) 20.106 5.044 ( -13.246 -7.195 -5.107) 15.916 5.734 ( -4.596 11.792 5.202) 13.683 6.208 ( -5.232 -0.831 -5.652) 7.746 6.577 ( 3.610 -4.889 4.847) 7.774 9.915 ( -18.679 3.499 -1.815) 19.090 10.262 ( -9.358 -0.016 1.267) 9.443 11.282 ( 9.090 -11.411 -13.254) 19.710 11.762 ( -10.167 -0.019 -2.913) 10.576 12.133 ( 17.238 3.408 13.564) 22.198 15.377 ( 9.908 2.915 -1.884) 10.498======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.470 ( -0.000 2.560 2.282) 3.430 3.132 ( -0.000 16.299 2.239) 16.452 4.385 ( -0.000 4.879 -1.470) 5.096 5.022 ( -0.000 15.840 -3.176) 16.155 6.136 ( -0.000 19.390 -0.793) 19.407 6.983 ( -0.000 2.976 -0.203) 2.983 9.361 ( -0.000 13.186 2.167) 13.363 9.568 ( -0.000 8.426 6.108) 10.408 11.051 ( 0.000 -9.804 -16.943) 19.575 11.151 ( -0.000 1.585 -1.477) 2.166 13.250 ( 0.000 -26.241 10.295) 28.188 15.822 ( 0.000 3.248 -7.545) 8.214======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.510 ( 1.824 1.230 1.746) 2.809 3.372 ( 10.343 13.721 1.840) 17.281 4.468 ( 5.117 5.192 -1.794) 7.507 5.166 ( 2.091 11.682 -1.308) 11.940 6.282 ( -0.944 13.381 -2.086) 13.576 7.013 ( -1.174 5.285 0.021) 5.414 9.590 ( 12.350 11.143 2.349) 16.799 9.662 ( -2.178 11.134 4.002) 12.030 10.860 ( -4.215 -8.058 -11.519) 14.676 11.220 ( 4.811 2.540 -3.085) 6.254 13.014 ( -1.912 -26.039 8.095) 27.335 15.785 ( -5.398 2.928 -5.454) 8.213======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.564 ( 2.950 0.377 1.385) 3.280 3.731 ( 17.188 11.157 1.566) 20.552 4.640 ( 9.206 6.930 -2.640) 11.821 5.300 ( 3.471 6.662 0.832) 7.558 6.347 ( -2.422 7.814 -2.266) 8.489 7.038 ( -2.698 6.092 -0.124) 6.664 9.715 ( -4.722 11.089 1.176) 12.110 9.988 ( 20.532 9.731 1.960) 22.806 10.719 ( -0.115 -5.110 -7.473) 9.054 11.325 ( 4.665 4.852 -2.468) 7.169 12.746 ( -3.807 -24.587 5.952) 25.582 15.666 ( -9.807 1.829 -3.332) 10.518======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.623 ( 3.385 0.127 1.044) 3.544 4.146 ( 20.090 8.792 1.620) 21.989 4.873 ( 9.634 10.086 -3.859) 14.471 5.417 ( 5.703 1.112 2.700) 6.407 6.342 ( -3.813 3.712 -1.376) 5.497 7.024 ( -5.360 4.510 -0.687) 7.039 9.734 ( -4.249 9.679 -1.909) 10.742 10.363 ( 12.029 1.539 4.640) 12.985 10.790 ( 14.158 6.568 -7.257) 17.213 11.444 ( 4.343 5.241 -0.935) 6.870 12.466 ( -5.090 -21.146 4.297) 22.170 15.480 ( -12.336 -0.098 -1.600) 12.439======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.684 ( 3.307 0.408 0.648) 3.394 4.561 ( 20.034 6.224 1.922) 21.067 5.091 ( 3.557 13.088 -4.093) 14.167 5.546 ( 10.741 -3.261 2.602) 11.523 6.287 ( -5.033 0.553 0.166) 5.066 6.935 ( -8.361 1.423 -1.287) 8.579 9.769 ( -0.418 8.095 -2.085) 8.370 10.487 ( 5.823 -2.567 3.932) 7.481 11.138 ( 9.963 13.752 -5.452) 17.835 11.579 ( 10.307 1.517 -0.774) 10.447 12.225 ( -4.261 -14.106 3.676) 15.187 15.256 ( -12.205 -2.259 -0.542) 12.424======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.745 ( 2.945 1.131 0.256) 3.165 4.926 ( 17.665 1.861 1.268) 17.808 5.188 ( -4.396 11.250 -0.648) 12.096 5.733 ( 12.988 -0.765 -1.656) 13.115 6.190 ( -5.792 -2.306 2.222) 6.618 6.777 ( -9.245 -1.802 -1.325) 9.512 9.870 ( 4.269 7.230 -0.542) 8.414 10.587 ( 7.794 -1.546 1.687) 8.123 11.190 ( -9.729 2.718 -0.884) 10.140 11.826 ( 11.993 4.368 -4.456) 13.519 12.113 ( 1.144 -4.992 4.176) 6.608 15.053 ( -8.148 -2.914 -0.089) 8.653======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.806 ( 2.394 2.249 0.023) 3.284 5.064 ( -2.366 -3.917 -2.237) 5.093 5.273 ( 6.148 5.629 3.595) 9.078 5.882 ( -0.428 6.444 -3.712) 7.449 6.108 ( 2.122 -4.692 2.547) 5.745 6.612 ( -6.079 -4.165 -0.214) 7.372 10.036 ( 7.183 6.833 0.345) 9.919 10.714 ( 5.101 2.255 -2.246) 6.012 10.979 ( -9.457 -7.545 2.328) 12.320 11.895 ( -3.231 0.014 -0.838) 3.338 12.181 ( 3.863 1.396 0.411) 4.128 14.965 ( 0.033 -0.016 -0.000) 0.037======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.867 ( 1.534 3.675 0.068) 3.982 4.882 ( -10.969 -7.536 -0.981) 13.344 5.339 ( -1.320 -5.879 -2.115) 6.386 5.873 ( -6.078 11.058 6.153) 14.039 6.179 ( 6.146 -0.124 -5.553) 8.284 6.510 ( -0.807 -5.512 2.103) 5.954 10.219 ( 6.219 6.586 -1.136) 9.130 10.597 ( -18.849 4.313 -0.640) 19.347 10.953 ( 13.303 -12.015 -1.025) 17.955 11.787 ( -3.687 -8.143 2.223) 9.211 12.190 ( -5.150 3.593 -0.295) 6.287 15.057 ( 7.384 5.143 -0.208) 9.001======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.925 ( 0.165 5.245 0.354) 5.259 4.568 ( -15.030 -11.353 -0.807) 18.853 5.140 ( -9.926 -9.504 -3.564) 14.197 5.941 ( -3.617 11.427 7.858) 14.332 6.222 ( 0.656 2.067 -9.394) 9.641 6.491 ( 2.897 -5.069 4.673) 7.478 10.246 ( -14.296 5.698 -6.162) 16.577 10.392 ( -6.446 2.892 6.108) 9.339 10.987 ( 7.562 -14.507 -8.626) 18.495 11.716 ( 5.379 -9.648 4.276) 11.845 12.124 ( -4.754 2.732 2.259) 5.930 15.269 ( 9.171 8.758 -0.787) 12.706======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.511 ( -0.000 0.553 2.623) 2.681 3.409 ( -0.000 11.140 1.504) 11.241 4.457 ( -0.000 3.622 -1.367) 3.872 5.254 ( -0.000 9.778 -0.006) 9.778 6.388 ( -0.000 8.800 -2.808) 9.237 7.079 ( -0.000 6.721 -0.792) 6.767 9.576 ( -0.000 7.939 1.187) 8.027 9.822 ( -0.000 13.718 4.706) 14.503 10.779 ( 0.000 -8.433 -10.644) 13.580 11.200 ( -0.000 3.986 -0.633) 4.036 12.809 ( 0.000 -24.669 5.599) 25.297 15.845 ( -0.000 2.934 -3.845) 4.837======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.538 ( 1.456 0.229 3.474) 3.773 3.595 ( 10.288 8.314 1.176) 13.280 4.541 ( 6.672 3.505 -1.532) 7.691 5.342 ( 0.544 6.748 1.711) 6.983 6.432 ( -1.444 5.163 -2.833) 6.064 7.130 ( -1.312 6.386 -1.556) 6.703 9.760 ( 13.541 5.550 0.827) 14.658 9.934 ( -4.527 14.289 2.559) 15.206 10.658 ( -1.252 -6.428 -5.827) 8.766 11.283 ( 4.670 4.458 -0.536) 6.478 12.583 ( -1.850 -21.970 3.194) 22.278 15.811 ( -5.874 2.338 -2.235) 6.706======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.585 ( 2.370 0.287 3.847) 4.528 3.901 ( 17.483 5.493 1.093) 18.358 4.733 ( 12.450 4.317 -2.147) 13.351 5.408 ( 0.465 3.273 3.531) 4.836 6.423 ( -2.987 2.626 -2.302) 4.595 7.137 ( -3.507 4.360 -2.360) 6.073 9.940 ( -7.466 11.027 0.922) 13.349 10.113 ( 19.126 2.486 0.377) 19.291 10.631 ( 6.016 -0.420 -2.465) 6.515 11.413 ( 5.218 4.277 0.375) 6.757 12.356 ( -3.230 -17.558 1.243) 17.896 15.682 ( -10.978 1.317 -0.941) 11.097======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.645 ( 2.785 0.600 3.549) 4.551 4.265 ( 20.621 2.567 1.306) 20.821 5.010 ( 15.426 6.212 -3.365) 16.967 5.442 ( 0.523 -0.946 5.357) 5.465 6.371 ( -4.443 0.818 -1.368) 4.720 7.072 ( -6.769 1.449 -3.270) 7.655 9.911 ( -6.520 8.646 1.419) 10.922 10.346 ( 9.158 -4.533 2.166) 10.446 10.919 ( 23.591 9.054 -4.424) 25.653 11.503 ( 1.339 0.187 1.726) 2.193 12.169 ( -2.678 -10.530 0.442) 10.875 15.475 ( -14.227 0.351 -0.179) 14.232======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.712 ( 2.946 1.145 2.730) 4.177 4.620 ( 19.909 -1.074 1.352) 19.983 5.300 ( 7.427 10.875 -3.377) 13.595 5.465 ( 8.344 -7.907 5.326) 12.669 6.286 ( -5.811 -0.295 0.019) 5.818 6.921 ( -9.764 -1.182 -4.021) 10.626 9.926 ( -1.466 7.167 4.122) 8.397 10.426 ( 7.286 -5.646 0.723) 9.246 11.363 ( 1.632 12.950 -5.408) 14.128 11.504 ( 17.116 -7.532 1.103) 18.733 12.081 ( -0.537 -4.090 1.872) 4.530 15.237 ( -14.070 0.612 0.102) 14.084======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.784 ( 3.050 2.005 1.720) 4.035 4.875 ( 13.413 -6.920 0.109) 15.093 5.344 ( -3.838 1.058 5.722) 6.971 5.693 ( 17.920 -0.127 -4.465) 18.468 6.180 ( -6.670 -0.119 2.579) 7.152 6.718 ( -10.096 -2.318 -4.175) 11.168 10.027 ( 3.402 6.546 5.872) 9.429 10.505 ( 10.017 -7.418 -1.068) 12.510 11.204 ( -14.730 0.268 -0.551) 14.743 11.853 ( 11.709 4.060 -6.382) 13.940 12.063 ( 4.646 -5.487 4.842) 8.668 15.060 ( -8.545 3.631 0.174) 9.286======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.864 ( 3.036 3.193 0.786) 4.476 4.879 ( -0.958 -13.371 -0.522) 13.415 5.307 ( -1.257 -5.548 4.112) 7.019 5.940 ( 11.427 2.993 -7.069) 13.766 6.115 ( -2.742 2.379 6.967) 7.856 6.539 ( -6.847 -2.033 -3.443) 7.929 10.189 ( 5.838 6.359 4.779) 9.867 10.605 ( 12.903 -10.947 -2.407) 17.091 10.943 ( -17.537 1.990 0.950) 17.675 11.810 ( -7.430 -5.921 -2.205) 9.753 12.185 ( 6.757 -2.061 0.652) 7.094 15.055 ( 0.894 8.770 0.177) 8.817======================= 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 0.00e+00 7.23e-05 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.950 ( 2.625 4.547 -0.000) 5.250 4.637 ( -9.443 -16.356 -0.000) 18.887 5.171 ( -6.344 -10.988 0.000) 12.688 6.071 ( 2.799 4.848 0.000) 5.598 6.188 ( 2.855 4.945 -0.000) 5.710 6.441 ( -1.355 -2.347 0.000) 2.710 10.347 ( 3.536 6.125 -0.000) 7.073 10.674 ( -5.146 -8.913 0.000) 10.292 10.676 ( -2.213 -3.834 -0.000) 4.427 11.616 ( -4.295 -7.439 0.000) 8.590 12.192 ( -2.120 -3.672 -0.000) 4.241 15.234 ( 7.132 12.354 -0.000) 14.265======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.543 ( -0.000 0.248 5.453) 5.459 3.576 ( -0.000 5.400 0.783) 5.457 4.504 ( -0.000 2.137 -1.205) 2.453 5.405 ( -0.000 5.067 3.114) 5.947 6.475 ( -0.000 3.215 -3.011) 4.405 7.189 ( -0.000 5.013 -2.563) 5.630 9.683 ( -0.000 3.058 -0.191) 3.064 10.134 ( -0.000 15.159 3.399) 15.536 10.588 ( 0.000 -6.591 -3.352) 7.394 11.277 ( -0.000 3.502 0.582) 3.550 12.414 ( 0.000 -17.550 0.385) 17.554 15.877 ( -0.000 2.092 -1.055) 2.343======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.577 ( 1.124 0.380 6.591) 6.697 3.704 ( 10.397 2.460 0.605) 10.701 4.581 ( 7.604 1.636 -1.281) 7.883 5.454 ( -0.301 2.825 4.679) 5.474 6.475 ( -1.643 1.783 -2.852) 3.743 7.203 ( -1.615 2.519 -3.430) 4.552 9.820 ( 13.739 0.850 -0.785) 13.787 10.204 ( -7.649 9.723 1.675) 12.484 10.550 ( 2.164 -1.696 1.398) 3.085 11.358 ( 5.303 2.671 1.278) 6.074 12.256 ( -1.780 -11.491 -2.071) 11.811 15.841 ( -6.258 1.498 -0.113) 6.435======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.628 ( 1.849 0.446 6.406) 6.682 3.955 ( 17.714 -0.445 0.842) 17.740 4.773 ( 14.213 1.207 -1.665) 14.361 5.477 ( -1.184 0.549 6.126) 6.263 6.437 ( -3.227 0.695 -2.357) 4.056 7.154 ( -4.071 -0.511 -4.466) 6.064 10.088 ( 16.754 -3.583 -1.004) 17.162 10.121 ( -8.396 3.923 3.406) 9.873 10.666 ( 10.753 4.480 1.554) 11.752 11.477 ( 4.586 1.555 2.347) 5.381 12.131 ( -2.481 -4.314 -3.619) 6.154 15.703 ( -11.608 1.037 0.405) 11.662======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.688 ( 2.442 0.505 5.101) 5.678 4.264 ( 20.478 -3.601 1.347) 20.836 5.048 ( 18.571 -0.367 -2.143) 18.698 5.465 ( -2.589 -0.929 6.908) 7.436 6.368 ( -4.520 -0.039 -1.412) 4.736 7.026 ( -7.042 -3.123 -5.522) 9.478 10.038 ( -3.369 -1.581 7.018) 7.944 10.258 ( 7.221 -2.620 -1.806) 7.891 11.021 ( 25.285 2.691 0.547) 25.434 11.522 ( -2.290 2.496 1.517) 3.712 12.073 ( -1.530 0.845 -3.186) 3.633 15.494 ( -14.532 1.533 0.545) 14.623======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.754 ( 3.152 0.836 3.258) 4.609 4.543 ( 18.036 -7.858 1.452) 19.727 5.306 ( 12.434 -10.582 3.529) 16.704 5.464 ( 3.637 5.952 0.487) 6.992 6.282 ( -5.148 -0.370 0.468) 5.182 6.835 ( -8.931 -3.933 -6.065) 11.490 10.036 ( 3.037 -4.077 9.483) 10.760 10.312 ( 4.542 -2.677 -3.693) 6.437 11.335 ( 3.094 -7.226 5.612) 9.659 11.608 ( 14.260 11.812 -4.579) 19.075 12.038 ( -3.398 -0.152 -2.087) 3.990 15.285 ( -12.954 4.063 0.588) 13.589======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.833 ( 3.939 1.622 1.371) 4.475 4.676 ( 8.876 -13.984 0.855) 16.585 5.270 ( -0.427 -12.034 7.424) 14.146 5.706 ( 14.889 4.443 -6.260) 16.752 6.210 ( -3.586 0.086 4.407) 5.683 6.637 ( -8.264 -2.286 -5.821) 10.364 10.118 ( 8.845 -6.714 9.494) 14.610 10.350 ( 5.329 -3.022 -5.375) 8.150 11.209 ( -11.885 -1.170 6.141) 13.429 11.917 ( -9.249 0.134 -4.854) 10.446 11.961 ( 16.450 0.755 -1.447) 16.531 15.185 ( -5.766 8.567 0.744) 10.353======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.598 ( -0.000 0.337 8.532) 8.538 3.625 ( 0.000 -0.564 0.239) 0.612 4.522 ( 0.000 0.531 -1.040) 1.168 5.495 ( -0.000 1.159 6.137) 6.246 6.492 ( 0.000 0.984 -3.063) 3.217 7.215 ( 0.000 -0.233 -4.323) 4.329 9.697 ( 0.000 -0.875 -1.429) 1.676 10.298 ( 0.000 -5.489 -0.399) 5.503 10.594 ( -0.000 11.267 7.606) 13.594 11.326 ( -0.000 0.577 1.647) 1.745 12.184 ( 0.000 -3.894 -4.985) 6.326 15.907 ( -0.000 1.181 0.553) 1.304======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.635 ( 0.695 -0.076 8.777) 8.804 3.698 ( 10.637 -3.459 0.345) 11.191 4.585 ( 7.825 -0.316 -1.056) 7.902 5.515 ( -0.618 -0.820 7.494) 7.564 6.473 ( -1.660 0.137 -2.910) 3.352 7.167 ( -1.815 -3.308 -5.415) 6.600 9.787 ( 12.745 -3.286 -2.057) 13.321 10.188 ( -2.064 -10.740 1.750) 11.076 10.719 ( -3.307 13.609 8.242) 16.250 11.396 ( 6.581 -0.070 2.975) 7.223 12.148 ( -1.845 3.676 -7.175) 8.270 15.866 ( -6.367 0.935 0.872) 6.494======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.675 ( 1.404 -0.803 7.187) 7.366 3.897 ( 17.910 -6.265 1.048) 19.003 4.757 ( 13.963 -1.875 -1.102) 14.131 5.509 ( -1.382 -2.497 8.179) 8.663 6.421 ( -3.017 -0.871 -2.299) 3.892 7.054 ( -4.027 -5.743 -6.594) 9.627 9.937 ( 8.206 -10.827 -0.810) 13.610 10.118 ( 7.059 -6.836 2.493) 10.138 10.844 ( 3.200 10.874 6.969) 13.306 11.520 ( 5.242 0.675 5.147) 7.378 12.144 ( -3.155 9.400 -8.600) 13.126 15.729 ( -11.362 1.380 0.900) 11.481======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.717 ( 2.616 -1.297 4.589) 5.439 4.147 ( 19.778 -9.571 1.808) 22.046 4.976 ( 15.866 -5.898 -0.115) 16.927 5.488 ( -0.706 -2.026 6.657) 6.995 6.343 ( -3.691 -2.430 -1.003) 4.531 6.888 ( -5.949 -5.984 -7.206) 11.097 9.890 ( 4.285 -14.329 3.552) 15.372 10.218 ( 7.224 -4.603 -0.935) 8.616 11.108 ( 14.442 5.618 7.688) 17.299 11.600 ( 1.313 1.469 5.564) 5.903 12.151 ( -5.208 12.184 -9.926) 16.556 15.544 ( -13.124 3.238 0.958) 13.551======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.773 ( 4.230 -1.089 1.844) 4.741 4.341 ( 15.274 -14.220 1.885) 20.953 5.103 ( 7.954 -13.034 4.514) 15.923 5.544 ( 7.336 2.067 -0.152) 7.623 6.254 ( -2.641 -4.465 1.503) 5.401 6.713 ( -6.541 -3.127 -6.612) 9.812 9.869 ( 8.511 -14.639 3.781) 17.351 10.256 ( 4.330 -5.290 -1.708) 7.046 11.349 ( 0.791 3.108 12.781) 13.177 11.677 ( 9.682 -5.201 3.443) 11.517 12.132 ( -8.222 16.238 -13.128) 22.441 15.396 ( -9.904 6.639 1.370) 12.002======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.657 ( -0.000 -1.077 9.868) 9.927 3.559 ( 0.000 -6.463 0.052) 6.463 4.510 ( 0.000 -1.120 -0.934) 1.458 5.530 ( -0.000 -2.992 8.844) 9.336 6.473 ( 0.000 -1.077 -3.061) 3.245 7.117 ( 0.000 -5.970 -6.458) 8.795 9.632 ( 0.000 -4.595 -2.189) 5.090 10.068 ( 0.000 -16.086 1.405) 16.147 10.963 ( -0.000 17.563 12.995) 21.848 11.319 ( 0.000 -2.541 2.234) 3.384 12.205 ( -0.000 10.597 -9.482) 14.220 15.931 ( -0.000 0.809 1.018) 1.300======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.673 ( 0.189 -2.674 8.733) 9.135 3.579 ( 11.084 -9.149 0.582) 14.384 4.554 ( 7.409 -2.225 -0.900) 7.788 5.517 ( -0.498 -5.313 9.586) 10.971 6.430 ( -1.360 -3.561 -2.890) 4.783 7.014 ( -1.779 -7.093 -7.386) 10.394 9.665 ( 10.112 -7.819 -2.716) 13.068 9.927 ( 2.460 -16.270 2.370) 16.625 11.060 ( -8.278 12.561 10.421) 18.300 11.426 ( 9.137 1.815 7.384) 11.888 12.279 ( -2.207 15.535 -11.171) 19.261 15.891 ( -6.085 1.186 0.901) 6.264======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.675 ( 1.341 -4.246 5.754) 7.275 3.733 ( 18.013 -11.748 1.712) 21.573 4.689 ( 12.251 -4.494 -0.540) 13.060 5.481 ( -0.303 -6.757 8.931) 11.204 6.338 ( -1.910 -8.050 -2.598) 8.672 6.884 ( -3.506 -5.039 -7.345) 9.572 9.682 ( 4.680 -14.395 -0.842) 15.160 9.934 ( 13.603 -12.462 0.559) 18.457 11.110 ( 0.039 8.873 8.210) 12.089 11.604 ( 3.601 3.737 11.863) 12.948 12.347 ( -4.577 18.580 -12.867) 23.059 15.772 ( -10.223 2.577 0.903) 10.581======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.685 ( 3.703 -4.833 2.349) 6.526 3.924 ( 18.451 -15.126 2.300) 23.969 4.835 ( 11.579 -9.001 1.302) 14.724 5.460 ( 2.960 -5.439 5.393) 8.212 6.203 ( -0.762 -12.920 -1.879) 13.078 6.764 ( -4.798 -0.539 -5.749) 7.508 9.617 ( 5.564 -14.538 0.456) 15.573 10.028 ( 11.371 -13.475 -1.081) 17.665 11.301 ( 10.522 5.168 8.095) 14.246 11.669 ( -4.562 2.023 13.287) 14.194 12.393 ( -7.062 20.798 -14.804) 26.487 15.632 ( -10.726 5.106 1.528) 11.977======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.668 ( -0.000 -4.992 9.023) 10.311 3.381 ( 0.000 -12.071 0.335) 12.076 4.466 ( 0.000 -2.733 -0.944) 2.891 5.488 ( 0.000 -8.520 10.360) 13.414 6.370 ( 0.000 -9.389 -3.716) 10.097 6.942 ( 0.000 -5.108 -7.360) 8.959 9.490 ( 0.000 -8.738 -2.274) 9.029 9.752 ( 0.000 -16.910 1.723) 16.998 11.270 ( 0.000 -3.682 2.179) 4.279 11.416 ( -0.000 18.241 18.192) 25.762 12.426 ( -0.000 19.155 -12.335) 22.783 15.956 ( -0.000 1.418 0.567) 1.527======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.631 ( -0.236 -7.598 6.782) 10.187 3.358 ( 11.795 -14.440 1.308) 18.691 4.489 ( 6.551 -3.953 -0.861) 7.700 5.427 ( 0.183 -11.369 10.037) 15.166 6.224 ( -0.360 -16.920 -4.930) 17.627 6.877 ( -1.796 -0.561 -6.004) 6.292 9.452 ( 6.269 -12.167 -2.454) 13.905 9.641 ( 5.415 -14.353 1.941) 15.462 11.212 ( -2.712 -0.083 3.553) 4.471 11.680 ( 2.570 13.788 18.268) 23.031 12.557 ( -2.610 21.336 -13.179) 25.214 15.929 ( -5.360 2.441 0.320) 5.898======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.577 ( 2.071 -9.243 3.114) 9.971 3.472 ( 17.905 -16.821 2.404) 24.685 4.581 ( 9.877 -6.501 -0.124) 11.825 5.357 ( 2.145 -12.517 7.998) 15.008 6.018 ( 0.903 -21.969 -5.333) 22.625 6.830 ( -3.429 3.176 -3.941) 6.114 9.404 ( 4.383 -13.258 -1.616) 14.057 9.676 ( 12.457 -14.069 0.675) 18.803 11.232 ( 3.452 0.561 3.946) 5.272 11.855 ( -3.096 10.257 18.067) 21.005 12.657 ( -5.321 22.758 -13.925) 27.205 15.844 ( -8.438 4.407 0.850) 9.557======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.572 ( 0.000 -10.902 6.851) 12.876 3.104 ( 0.000 -17.223 1.067) 17.256 4.393 ( 0.000 -4.148 -1.088) 4.288 5.327 ( 0.000 -16.007 9.940) 18.842 6.005 ( 0.000 -24.109 -6.835) 25.059 6.889 ( -0.000 3.235 -4.184) 5.288 9.268 ( 0.000 -12.929 -1.655) 13.034 9.481 ( 0.000 -11.634 1.689) 11.756 11.223 ( 0.000 -2.156 1.509) 2.632 11.878 ( -0.000 15.379 20.068) 25.283 12.748 ( -0.000 22.909 -12.464) 26.080 15.998 ( -0.000 2.963 -0.385) 2.988======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.465 ( -0.245 -13.672 4.196) 14.303 3.046 ( 12.614 -19.277 2.200) 23.142 4.393 ( 5.446 -5.298 -0.931) 7.654 5.196 ( 1.837 -20.288 8.304) 21.999 5.739 ( 1.054 -27.073 -7.079) 28.003 6.904 ( -1.767 4.994 -2.554) 5.881 9.182 ( 5.374 -14.486 -1.711) 15.545 9.428 ( 4.282 -8.255 1.911) 9.494 11.213 ( 0.329 -0.477 1.623) 1.723 12.064 ( -1.629 11.329 18.102) 21.417 12.908 ( -3.030 23.965 -11.169) 26.613 15.993 ( -4.234 4.323 -0.381) 6.063======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.339 ( 0.000 -17.320 4.513) 17.899 2.740 ( 0.000 -21.811 2.104) 21.913 4.295 ( 0.000 -5.121 -1.320) 5.288 4.962 ( 0.000 -29.737 5.566) 30.254 5.446 ( 0.000 -26.470 -5.647) 27.066 6.961 ( -0.000 5.135 -1.633) 5.389 8.982 ( 0.000 -15.724 -0.629) 15.736 9.358 ( 0.000 -1.990 2.024) 2.838 11.217 ( -0.000 0.860 0.563) 1.028 12.230 ( -0.000 8.003 15.177) 17.158 13.137 ( -0.000 24.729 -7.579) 25.864 16.067 ( -0.000 4.856 -1.246) 5.013======================= 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 0.00e+00 7.23e-05 Number of triplets: 570Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.681 ( -0.000 -0.000 20.688) 20.688 0.681 ( -0.000 -0.000 20.688) 20.688 1.282 ( -0.000 -0.000 39.615) 39.615 3.884 ( 0.000 0.000 -1.994) 1.994 3.884 ( 0.000 0.000 -1.994) 1.994 7.989 ( -0.000 -0.000 0.891) 0.891 7.989 ( -0.000 -0.000 0.891) 0.891 8.316 ( 0.000 0.000 -9.599) 9.599 11.525 ( 0.000 0.000 -0.672) 0.672 11.525 ( 0.000 0.000 -0.672) 0.672 14.733 ( -0.000 -0.000 3.484) 3.484 15.222 ( 0.000 0.000 -1.623) 1.623======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.054 ( 19.448 11.228 15.333) 27.192 1.114 ( 24.814 14.326 16.054) 32.844 1.590 ( 19.586 11.308 29.145) 36.890 3.878 ( 0.949 0.548 -2.477) 2.709 3.998 ( 9.441 5.451 -1.651) 11.026 7.342 ( -16.616 -9.593 6.218) 20.169 8.055 ( 4.967 2.868 1.217) 5.863 9.537 ( 51.426 29.691 -32.134) 67.519 11.321 ( -12.204 -7.046 -4.023) 14.655 11.487 ( -2.741 -1.582 -0.871) 3.282 14.688 ( -4.984 -2.877 4.749) 7.461 15.559 ( 21.516 12.422 -15.309) 29.183======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.568 ( 22.252 12.847 10.320) 27.689 1.582 ( 14.257 8.231 19.828) 25.771 2.367 ( 40.216 23.219 10.263) 47.558 3.909 ( 2.658 1.535 -2.628) 4.041 4.272 ( 15.223 8.789 -0.460) 17.584 7.137 ( -5.874 -3.392 0.804) 6.830 8.215 ( 8.985 5.187 1.513) 10.484 10.038 ( 1.514 0.874 -6.478) 6.710 11.244 ( 11.853 6.843 -23.909) 27.549 11.404 ( -4.320 -2.494 -1.035) 5.095 14.560 ( -8.126 -4.691 7.762) 12.177 15.821 ( 6.707 3.872 -18.174) 19.755======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.953 ( 14.468 8.353 13.864) 21.710 2.085 ( 21.544 12.438 6.773) 25.782 3.307 ( 41.226 23.802 3.729) 47.749 3.976 ( 4.028 2.326 -2.409) 5.238 4.648 ( 18.263 10.544 1.005) 21.112 7.028 ( -4.278 -2.470 -2.049) 5.348 8.457 ( 12.188 7.037 1.784) 14.186 9.855 ( -12.152 -7.016 4.561) 14.754 11.299 ( -4.517 -2.608 -1.188) 5.350 11.502 ( 14.814 8.553 -27.291) 32.209 14.397 ( -9.443 -5.452 12.468) 16.563 15.770 ( -4.513 -2.606 -17.631) 18.385======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.312 ( 14.492 8.367 7.049) 18.157 2.556 ( 19.108 11.032 4.086) 22.439 4.068 ( 4.835 2.792 -1.864) 5.886 4.180 ( 36.587 21.124 -0.417) 42.249 5.067 ( 18.663 10.775 2.469) 21.691 6.925 ( -4.383 -2.530 -2.699) 5.735 8.755 ( 13.789 7.961 2.063) 16.056 9.644 ( -7.423 -4.285 5.453) 10.158 11.208 ( -3.037 -1.753 -1.383) 3.770 11.628 ( 3.954 2.283 -24.405) 24.828 14.213 ( -12.617 -7.285 16.818) 22.251 15.574 ( -5.932 -3.425 -17.071) 18.394======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.628 ( 12.579 7.262 1.138) 14.569 2.952 ( 15.696 9.062 2.108) 18.246 4.172 ( 4.955 2.861 -1.120) 5.830 4.901 ( 29.014 16.751 -4.569) 33.813 5.475 ( 16.875 9.743 3.713) 19.836 6.823 ( -4.003 -2.311 -0.969) 4.723 9.063 ( 12.999 7.505 2.338) 15.190 9.582 ( 0.342 0.198 4.627) 4.644 11.166 ( -0.105 -0.061 -1.658) 1.663 11.524 ( -5.461 -3.153 -22.048) 22.932 13.895 ( -21.703 -12.530 14.874) 29.142 15.472 ( 1.953 1.127 -11.623) 11.840======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.867 ( 9.298 5.368 -3.701) 11.356 3.262 ( 11.844 6.838 0.841) 13.702 4.275 ( 4.423 2.554 -0.330) 5.118 5.423 ( 20.150 11.633 -9.005) 24.949 5.825 ( 13.269 7.661 4.448) 15.954 6.755 ( -2.071 -1.196 3.125) 3.936 9.328 ( 9.863 5.695 2.489) 11.658 9.687 ( 7.759 4.480 2.887) 9.413 11.195 ( 3.156 1.822 -1.945) 4.131 11.283 ( -9.004 -5.199 -19.041) 21.695 13.370 ( -28.391 -16.391 9.725) 34.195 15.564 ( 7.633 4.407 -4.668) 9.974======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.014 ( 5.732 3.309 -7.388) 9.919 3.482 ( 7.817 4.513 0.179) 9.028 4.362 ( 3.413 1.970 0.394) 3.961 5.738 ( 12.002 6.929 -12.697) 18.796 6.081 ( 8.332 4.810 4.513) 10.627 6.761 ( 0.802 0.463 8.141) 8.194 9.509 ( 5.761 3.326 2.376) 7.064 9.928 ( 13.032 7.524 0.617) 15.060 11.039 ( -6.929 -4.000 -15.217) 17.192 11.281 ( 4.799 2.771 -2.101) 5.926 12.755 ( -28.757 -16.603 7.356) 34.011 15.730 ( 7.523 4.344 -1.328) 8.788======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.076 ( 2.645 1.527 -9.811) 10.275 3.609 ( 3.641 2.102 -0.133) 4.206 4.426 ( 2.124 1.226 0.995) 2.646 5.891 ( 6.382 3.685 -14.299) 16.086 6.228 ( 3.896 2.249 4.537) 6.389 6.825 ( 1.285 0.742 11.414) 11.510 9.602 ( 2.096 1.210 2.053) 3.174 10.232 ( 13.001 7.506 -1.461) 15.084 10.904 ( -0.321 -0.186 -12.142) 12.148 11.372 ( 3.671 2.119 -2.094) 4.728 12.194 ( -23.140 -13.360 7.945) 27.876 15.864 ( 4.559 2.632 -0.478) 5.286======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.070 ( 0.015 0.009 -10.957) 10.957 3.640 ( -0.734 -0.424 -0.386) 0.931 4.462 ( 0.694 0.401 1.438) 1.647 5.937 ( 2.182 1.260 -14.446) 14.664 6.302 ( 1.721 0.994 4.825) 5.218 6.865 ( -1.898 -1.096 12.642) 12.831 9.620 ( -0.953 -0.550 1.700) 2.025 10.375 ( -1.843 -1.064 -3.124) 3.780 11.003 ( 13.497 7.793 -11.065) 19.114 11.415 ( 0.603 0.348 -1.984) 2.103 11.851 ( -9.054 -5.227 10.071) 14.517 15.926 ( 1.320 0.762 -0.155) 1.532======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.003 ( -2.808 -1.621 -10.940) 11.410 3.572 ( -5.318 -3.071 -0.771) 6.189 4.466 ( -0.794 -0.458 1.697) 1.929 5.883 ( -2.941 -1.698 -13.306) 13.732 6.343 ( 0.166 0.096 4.390) 4.394 6.821 ( -5.427 -3.134 12.560) 14.036 9.572 ( -3.917 -2.261 1.425) 4.742 10.161 ( -14.142 -8.165 -3.805) 16.767 11.354 ( 19.488 11.251 -10.332) 24.761 11.386 ( -2.451 -1.415 -1.793) 3.350 11.881 ( 7.778 4.491 9.640) 13.176 15.934 ( -0.329 -0.190 0.854) 0.934======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.867 ( -6.431 -3.713 -9.896) 12.372 3.399 ( -10.035 -5.794 -1.320) 11.662 4.438 ( -2.253 -1.301 1.756) 3.139 5.716 ( -8.456 -4.882 -11.453) 15.051 6.271 ( -10.084 -5.822 5.669) 12.950 6.769 ( -0.877 -0.506 9.197) 9.253 9.453 ( -7.307 -4.219 1.202) 8.522 9.807 ( -15.336 -8.854 -3.331) 18.019 11.309 ( -3.608 -2.083 -1.481) 4.421 11.742 ( 18.079 10.438 -10.728) 23.471 12.197 ( 16.974 9.800 7.244) 20.895 15.937 ( 0.422 0.243 2.476) 2.524======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.647 ( -10.787 -6.228 -7.843) 14.719 3.119 ( -14.676 -8.473 -1.872) 17.050 4.379 ( -3.532 -2.039 1.623) 4.390 5.427 ( -14.808 -8.550 -9.612) 19.616 5.931 ( -21.390 -12.350 7.692) 25.870 6.845 ( 4.514 2.606 4.499) 6.886 9.255 ( -10.960 -6.328 0.940) 12.690 9.504 ( -10.347 -5.974 -2.751) 12.261 11.236 ( -2.164 -1.249 -1.034) 2.704 12.054 ( 13.299 7.678 -13.391) 20.375 12.643 ( 20.614 11.901 7.011) 24.814 15.980 ( 2.660 1.536 3.184) 4.424======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.916 ( -0.000 15.223 15.226) 21.531 1.267 ( -0.000 24.617 20.264) 31.885 1.724 ( -0.000 25.113 26.047) 36.182 3.911 ( -0.000 3.109 -1.896) 3.642 3.951 ( -0.000 9.175 -2.355) 9.472 7.364 ( 0.000 -20.192 5.534) 20.936 8.031 ( -0.000 4.482 0.903) 4.572 9.424 ( -0.000 55.885 -27.765) 62.402 11.341 ( 0.000 -9.967 -5.226) 11.254 11.502 ( 0.000 -2.338 -0.678) 2.434 14.700 ( 0.000 -6.191 5.018) 7.969 15.499 ( -0.000 21.742 -12.925) 25.294======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.346 ( 21.582 15.884 10.323) 28.717 1.586 ( 6.620 12.780 23.384) 27.459 2.237 ( 16.515 38.178 12.002) 43.294 3.920 ( -0.772 5.011 -2.206) 5.529 4.152 ( 10.213 11.943 -1.140) 15.756 7.184 ( -4.726 -7.770 1.759) 9.263 8.149 ( 6.299 6.860 1.252) 9.397 9.890 ( 12.861 13.248 -13.736) 23.013 11.202 ( -4.012 5.313 -16.497) 17.790 11.447 ( -2.737 -1.823 -1.487) 3.609 14.617 ( -3.544 -8.425 7.099) 11.574 15.707 ( 6.805 11.197 -16.692) 21.221======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.874 ( 14.888 12.306 11.460) 22.459 1.914 ( 15.919 13.712 13.670) 25.066 3.009 ( 28.408 35.169 4.065) 45.392 3.973 ( 1.225 6.816 -1.883) 7.177 4.486 ( 14.875 13.556 0.479) 20.131 7.063 ( -3.925 -3.636 -1.315) 5.510 8.367 ( 9.479 9.971 1.664) 13.858 9.916 ( -4.086 -11.544 2.880) 12.580 11.249 ( 4.534 4.492 -16.254) 17.462 11.408 ( 0.099 8.191 -11.856) 14.411 14.484 ( -5.283 -9.603 10.780) 15.373 15.754 ( -1.470 1.444 -17.408) 17.529======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.201 ( 11.749 8.561 10.327) 17.832 2.407 ( 17.701 17.142 4.685) 25.082 3.796 ( 28.264 21.469 -1.707) 35.534 4.101 ( 5.590 14.793 -0.090) 15.814 4.889 ( 17.053 13.379 2.156) 21.782 6.962 ( -4.071 -2.622 -2.501) 5.450 8.657 ( 11.205 12.777 2.100) 17.123 9.713 ( -6.528 -10.452 5.619) 13.544 11.224 ( -1.342 -2.852 -3.246) 4.524 11.505 ( 4.520 7.403 -23.252) 24.817 14.334 ( -6.566 -11.244 15.282) 20.077 15.605 ( -7.332 -1.706 -17.538) 19.085======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.498 ( 11.806 6.959 3.768) 14.213 2.844 ( 13.851 16.737 2.255) 21.842 4.121 ( 6.369 5.303 -2.237) 8.584 4.628 ( 24.779 24.466 -2.737) 34.930 5.305 ( 16.902 11.831 3.637) 20.950 6.863 ( -3.981 -2.106 -1.564) 4.768 8.983 ( 10.817 14.474 2.583) 18.253 9.585 ( -1.423 -5.185 4.911) 7.282 11.177 ( -1.014 0.002 -2.153) 2.379 11.477 ( -1.825 -1.992 -22.039) 22.204 14.106 ( -13.492 -15.723 15.712) 26.002 15.443 ( -2.911 0.889 -14.093) 14.418======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.740 ( 10.098 4.601 -1.876) 11.255 3.200 ( 9.612 15.623 0.752) 18.359 4.253 ( 3.875 6.410 -0.931) 7.548 5.190 ( 20.269 16.689 -7.258) 27.240 5.687 ( 14.709 9.308 4.693) 18.029 6.790 ( -2.587 -1.156 1.532) 3.221 9.292 ( 7.898 14.706 3.015) 16.962 9.606 ( 5.492 -0.337 3.127) 6.329 11.183 ( 0.253 2.845 -1.728) 3.338 11.289 ( -5.762 -5.993 -19.960) 21.622 13.669 ( -23.383 -19.182 10.422) 31.989 15.459 ( 6.001 2.887 -6.445) 9.268======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.904 ( 7.428 2.149 -6.338) 9.998 3.467 ( 5.243 14.072 0.082) 15.017 4.367 ( 2.106 7.186 -0.013) 7.488 5.564 ( 13.401 9.822 -11.078) 19.969 5.991 ( 10.692 6.217 5.111) 13.382 6.777 ( 0.260 0.092 5.895) 5.901 9.534 ( 3.160 14.129 3.077) 14.801 9.773 ( 11.803 3.042 0.765) 12.213 11.031 ( -6.478 -7.777 -13.964) 17.247 11.271 ( 2.691 6.974 -4.126) 8.538 13.082 ( -27.496 -18.761 6.796) 33.974 15.605 ( 9.481 1.398 -1.729) 9.738======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.988 ( 4.677 0.149 -9.395) 10.496 3.643 ( 0.841 12.263 -0.094) 12.292 4.458 ( 0.105 7.511 0.689) 7.544 5.765 ( 7.884 4.927 -13.160) 16.113 6.189 ( 5.859 3.177 4.941) 8.297 6.833 ( 2.432 0.333 9.535) 9.845 9.686 ( -1.986 13.507 2.688) 13.914 10.042 ( 15.606 4.434 -1.685) 16.311 10.844 ( -2.189 -6.182 -10.688) 12.539 11.377 ( 2.140 8.262 -3.342) 9.165 12.489 ( -25.533 -15.486 6.319) 30.523 15.756 ( 8.508 -1.418 -0.394) 8.635======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.004 ( 2.235 -1.363 -10.931) 11.240 3.728 ( -3.695 10.322 -0.231) 10.966 4.517 ( -1.933 7.324 1.217) 7.672 5.849 ( 4.166 1.790 -13.726) 14.456 6.292 ( 2.627 1.042 4.883) 5.642 6.900 ( 1.080 -1.289 11.348) 11.472 9.747 ( -6.395 12.115 2.130) 13.864 10.307 ( 10.166 1.971 -3.282) 10.864 10.794 ( 6.794 -2.772 -8.815) 11.470 11.460 ( -0.162 7.582 -3.030) 8.167 12.032 ( -16.619 -8.644 7.893) 20.328 15.849 ( 5.892 -3.993 -0.306) 7.125======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.965 ( -0.184 -2.745 -11.031) 11.369 3.715 ( -8.473 8.262 -0.612) 11.850 4.541 ( -3.809 6.623 1.548) 7.795 5.845 ( 0.281 -1.089 -13.424) 13.471 6.346 ( 1.428 0.095 4.668) 4.882 6.901 ( -2.930 -3.815 11.867) 12.805 9.723 ( -9.472 9.125 1.766) 13.270 10.285 ( -8.876 -4.805 -3.931) 10.832 10.986 ( 18.847 -0.599 -7.994) 20.481 11.514 ( -0.969 9.898 -4.722) 11.010 11.870 ( -1.098 -0.319 10.145) 10.209 15.880 ( 3.791 -5.320 0.069) 6.533======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.868 ( -3.205 -4.312 -9.881) 11.247 3.599 ( -13.453 6.021 -1.243) 14.791 4.528 ( -5.415 5.455 1.623) 7.856 5.742 ( -4.654 -3.993 -12.091) 13.557 6.354 ( -2.743 -2.256 4.192) 5.494 6.826 ( -4.278 -4.417 10.882) 12.499 9.619 ( -11.762 4.672 1.660) 12.764 9.989 ( -16.286 -6.151 -3.423) 17.742 11.216 ( 10.776 -4.031 -4.737) 12.442 11.623 ( 5.114 14.112 -10.941) 18.574 12.041 ( 13.425 4.823 11.232) 18.157 15.889 ( 3.453 -4.891 1.105) 6.088======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.704 ( -7.172 -5.942 -7.624) 12.036 3.375 ( -18.420 3.609 -1.895) 18.865 4.477 ( -6.638 3.899 1.415) 7.828 5.531 ( -10.340 -6.300 -10.401) 15.962 6.167 ( -15.864 -9.045 6.178) 19.278 6.813 ( 2.443 -0.575 6.463) 6.933 9.432 ( -13.587 -0.594 1.557) 13.689 9.664 ( -15.363 -2.951 -2.532) 15.848 11.242 ( -0.214 -1.884 -2.421) 3.075 11.858 ( 12.709 9.242 -15.942) 22.384 12.430 ( 20.119 8.076 11.151) 24.379 15.922 ( 4.671 -3.158 1.766) 5.908======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.373 ( -0.000 22.325 9.711) 24.346 1.731 ( -0.000 10.332 24.806) 26.872 2.544 ( -0.000 44.211 6.599) 44.700 3.975 ( -0.000 4.820 -1.886) 5.176 4.198 ( -0.000 17.460 -0.642) 17.472 7.150 ( 0.000 -7.174 0.797) 7.218 8.175 ( -0.000 9.722 1.241) 9.801 9.857 ( -0.000 4.307 -6.119) 7.483 11.261 ( 0.000 11.852 -22.155) 25.126 11.430 ( 0.000 -4.466 -0.858) 4.548 14.575 ( 0.000 -11.192 8.209) 13.879 15.713 ( -0.000 10.981 -16.158) 19.537======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.769 ( 15.844 21.270 6.837) 27.389 1.937 ( 4.570 8.786 20.983) 23.203 3.074 ( 10.908 42.221 1.332) 43.628 4.024 ( 0.829 6.988 -1.617) 7.221 4.449 ( 7.784 19.178 0.976) 20.720 7.074 ( -2.251 -4.185 -1.113) 4.881 8.343 ( 6.568 12.256 1.645) 14.002 9.831 ( 0.455 -11.540 3.110) 11.960 11.253 ( -3.980 7.122 -17.018) 18.873 11.423 ( 2.274 4.653 -10.554) 11.756 14.471 ( -2.104 -12.986 10.781) 17.009 15.741 ( -0.567 4.807 -16.762) 17.446======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.159 ( 7.909 9.019 11.451) 16.584 2.304 ( 18.176 19.155 7.190) 27.367 3.665 ( 15.879 30.512 -3.558) 34.581 4.157 ( 5.253 13.744 -0.137) 14.714 4.803 ( 11.688 18.672 2.597) 22.181 6.990 ( -3.241 -2.662 -2.250) 4.760 8.625 ( 10.216 15.417 2.293) 18.636 9.694 ( -2.952 -13.346 5.997) 14.926 11.189 ( -1.069 -1.168 -8.649) 8.792 11.474 ( 1.135 7.013 -17.837) 19.200 14.336 ( -3.190 -14.866 14.182) 20.791 15.654 ( -5.909 0.932 -17.158) 18.171======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.406 ( 9.065 6.770 6.037) 12.824 2.795 ( 15.500 20.037 3.632) 25.591 4.050 ( 8.691 11.573 -4.843) 15.262 4.534 ( 16.208 25.225 -1.249) 30.009 5.194 ( 13.269 16.546 3.828) 21.553 6.903 ( -3.650 -1.850 -1.761) 4.455 8.977 ( 10.918 18.508 3.179) 21.722 9.562 ( -1.730 -8.485 5.120) 10.060 11.150 ( 1.399 -1.676 -6.741) 7.086 11.438 ( -2.777 0.133 -17.352) 17.574 14.155 ( -6.513 -18.614 15.716) 25.217 15.490 ( -6.899 1.544 -15.342) 16.892======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.621 ( 8.867 4.355 0.379) 9.886 3.217 ( 10.753 20.422 1.655) 23.139 4.242 ( 5.593 8.956 -2.907) 10.952 5.037 ( 17.167 20.183 -5.177) 26.998 5.571 ( 12.943 12.976 4.553) 18.885 6.830 ( -2.975 -0.919 0.528) 3.158 9.342 ( 8.577 19.909 4.539) 22.149 9.528 ( 2.984 -2.825 2.452) 4.785 11.163 ( 3.768 0.131 -9.589) 10.303 11.278 ( -7.014 -3.836 -12.170) 14.561 13.831 ( -15.119 -22.083 11.952) 29.310 15.405 ( -0.063 2.605 -9.017) 9.386======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.780 ( 7.390 1.845 -4.262) 8.729 3.552 ( 5.547 20.315 0.564) 21.066 4.402 ( 3.818 9.726 -1.413) 10.544 5.422 ( 12.615 12.921 -8.728) 20.057 5.892 ( 11.126 8.537 5.118) 14.929 6.799 ( -0.950 -0.019 3.965) 4.077 9.604 ( 8.549 1.471 2.651) 9.070 9.676 ( 4.272 19.952 2.091) 20.511 11.025 ( -6.858 -7.660 -14.877) 18.084 11.267 ( 3.898 6.583 -3.602) 8.456 13.332 ( -22.439 -21.544 7.189) 31.927 15.462 ( 6.696 0.088 -2.968) 7.325======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.873 ( 5.373 -0.117 -7.570) 9.284 3.793 ( 0.367 19.504 0.145) 19.508 4.542 ( 1.383 10.892 -0.180) 10.981 5.648 ( 7.666 6.961 -11.308) 15.333 6.129 ( 7.657 4.433 5.192) 10.259 6.825 ( 1.707 -0.160 7.330) 7.528 9.806 ( 13.523 2.058 -1.539) 13.765 9.915 ( -1.183 21.819 3.160) 22.079 10.808 ( -5.094 -6.739 -9.578) 12.771 11.402 ( 4.000 9.154 -4.309) 10.880 12.766 ( -24.192 -17.986 5.147) 30.582 15.575 ( 9.098 -4.023 -0.484) 9.960======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.909 ( 3.289 -1.335 -9.378) 10.027 3.938 ( -4.595 17.994 -0.093) 18.572 4.651 ( -1.724 11.839 0.862) 11.995 5.751 ( 4.468 2.698 -12.400) 13.454 6.266 ( 3.830 1.341 4.622) 6.151 6.886 ( 2.693 -1.840 9.668) 10.204 10.032 ( -0.417 13.830 0.985) 13.871 10.093 ( 8.098 9.348 -3.143) 12.761 10.690 ( 0.439 -3.494 -5.015) 6.128 11.517 ( 1.017 7.744 -3.666) 8.628 12.266 ( -19.608 -11.289 5.040) 23.180 15.667 ( 8.587 -7.611 -0.149) 11.475======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.897 ( 1.133 -2.051 -9.697) 9.976 3.983 ( -9.442 15.874 -0.554) 18.478 4.714 ( -4.978 12.063 1.590) 13.146 5.772 ( 1.915 -0.717 -12.568) 12.733 6.330 ( 2.051 -0.344 4.094) 4.592 6.921 ( 0.344 -4.366 10.664) 11.528 10.046 ( -13.246 15.139 1.444) 20.168 10.276 ( 6.136 -1.322 -5.887) 8.606 10.743 ( 7.824 4.273 -3.320) 9.513 11.559 ( 0.525 3.089 -2.077) 3.759 11.983 ( -9.010 -0.907 4.999) 10.344 15.714 ( 7.300 -9.533 -0.189) 12.008======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.841 ( -1.473 -2.584 -8.658) 9.155 3.923 ( -14.301 13.209 -1.285) 19.510 4.725 ( -7.796 11.117 1.751) 13.690 5.715 ( -1.409 -3.556 -11.723) 12.331 6.362 ( 0.841 -1.374 3.269) 3.644 6.879 ( -3.282 -6.310 10.587) 12.754 9.915 ( -15.352 6.338 1.022) 16.640 10.187 ( -11.338 -0.769 -3.732) 11.961 10.975 ( 13.051 6.244 -5.305) 15.410 11.637 ( 4.631 5.791 -6.080) 9.589 11.961 ( 3.011 2.542 8.671) 9.525 15.737 ( 6.782 -9.260 0.189) 11.479======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.737 ( -4.890 -2.964 -6.427) 8.603 3.752 ( -19.097 10.147 -2.030) 21.721 4.680 ( -9.738 8.790 1.224) 13.176 5.577 ( -5.839 -4.896 -9.990) 12.564 6.307 ( -7.096 -5.313 3.386) 9.489 6.804 ( -1.270 -4.622 8.380) 9.654 9.674 ( -15.715 -1.770 0.637) 15.827 9.943 ( -17.587 3.809 -1.236) 18.037 11.181 ( 6.299 4.465 -5.697) 9.595 11.734 ( 5.163 5.981 -13.718) 15.831 12.214 ( 17.567 4.534 13.216) 22.446 15.775 ( 7.355 -7.267 0.430) 10.348======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.873 ( -0.000 23.645 6.694) 24.574 2.047 ( -0.000 7.627 18.736) 20.229 3.402 ( -0.000 42.229 -1.745) 42.265 4.066 ( -0.000 5.893 -1.952) 6.208 4.605 ( -0.000 24.088 2.515) 24.219 7.051 ( 0.000 -3.417 -1.654) 3.796 8.417 ( -0.000 14.303 1.760) 14.410 9.726 ( 0.000 -12.892 5.897) 14.176 11.327 ( 0.000 -5.311 -1.166) 5.437 11.368 ( 0.000 13.015 -26.585) 29.599 14.388 ( 0.000 -15.448 12.156) 19.657 15.742 ( 0.000 4.747 -16.521) 17.190======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.187 ( 4.297 10.755 9.939) 15.262 2.250 ( 12.145 18.337 9.279) 23.871 3.808 ( 3.675 33.764 -4.778) 34.298 4.170 ( 6.171 10.118 -1.287) 11.921 4.895 ( 4.354 25.301 3.627) 25.928 7.001 ( -1.806 -2.382 -2.253) 3.744 8.634 ( 7.403 16.442 2.214) 18.167 9.620 ( -0.873 -12.196 7.344) 14.264 11.204 ( -5.148 -2.001 -7.525) 9.334 11.432 ( 3.429 4.273 -18.601) 19.391 14.262 ( -1.299 -17.798 14.094) 22.739 15.698 ( -3.556 3.184 -16.495) 17.172======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.368 ( 5.645 6.163 7.145) 10.996 2.726 ( 17.244 20.201 4.861) 27.001 4.071 ( 2.721 16.500 -5.540) 17.617 4.502 ( 14.220 20.878 -1.705) 25.319 5.237 ( 6.436 23.778 3.801) 24.925 6.935 ( -2.824 -1.487 -1.909) 3.719 8.979 ( 11.946 19.235 3.123) 22.857 9.523 ( -1.358 -8.218 6.326) 10.459 11.096 ( -1.547 -2.339 -9.052) 9.477 11.417 ( -0.469 -0.887 -14.490) 14.525 14.093 ( -3.096 -21.077 15.076) 26.098 15.580 ( -7.059 3.013 -15.179) 17.009======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.537 ( 6.602 4.040 2.201) 8.047 3.208 ( 15.369 20.290 3.127) 25.646 4.242 ( 4.183 11.991 -4.592) 13.504 4.941 ( 15.609 18.173 -3.022) 24.146 5.572 ( 6.930 19.642 3.220) 21.076 6.873 ( -2.866 -0.451 -0.202) 2.908 9.391 ( 11.027 19.717 5.925) 23.355 9.478 ( 1.507 -1.300 2.086) 2.883 11.046 ( 2.427 -3.124 -12.447) 13.060 11.317 ( -4.018 -2.135 -8.605) 9.734 13.836 ( -7.857 -24.389 12.940) 28.705 15.452 ( -5.770 3.310 -10.874) 12.748======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.673 ( 6.227 1.851 -1.948) 6.782 3.633 ( 10.500 21.290 1.865) 23.812 4.415 ( 4.974 11.113 -3.444) 12.653 5.318 ( 12.893 12.877 -4.840) 18.854 5.854 ( 6.732 13.328 3.137) 15.258 6.836 ( -1.953 0.385 2.360) 3.087 9.496 ( 4.398 -0.281 1.171) 4.560 9.810 ( 8.262 23.600 4.854) 25.472 10.978 ( -1.215 -6.056 -15.786) 16.952 11.263 ( 1.046 3.800 -2.644) 4.746 13.447 ( -14.712 -24.619 8.543) 29.926 15.395 ( -0.303 0.860 -5.073) 5.154======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.765 ( 5.066 0.188 -4.989) 7.112 3.969 ( 4.094 22.233 0.991) 22.629 4.594 ( 4.733 11.155 -1.902) 12.266 5.569 ( 7.464 8.532 -7.765) 13.740 6.073 ( 6.543 6.741 4.225) 10.301 6.831 ( -0.295 -0.145 4.885) 4.896 9.615 ( 9.434 1.565 -2.570) 9.902 10.150 ( 3.071 23.878 6.296) 24.884 10.812 ( -5.640 -4.906 -10.747) 13.091 11.384 ( 6.232 8.168 -4.221) 11.108 12.960 ( -19.213 -21.266 5.224) 29.132 15.410 ( 4.637 -4.067 -1.307) 6.305======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.813 ( 3.590 -0.678 -6.801) 7.720 4.196 ( -2.530 21.866 0.202) 22.013 4.768 ( 2.804 12.309 0.087) 12.624 5.685 ( 2.914 4.652 -10.064) 11.464 6.224 ( 4.720 1.909 4.329) 6.683 6.853 ( 1.815 -2.413 7.212) 7.818 9.814 ( 13.604 1.995 -5.400) 14.772 10.414 ( -3.392 25.639 5.514) 26.444 10.657 ( -3.113 -3.685 -4.851) 6.842 11.543 ( 3.627 8.270 -4.613) 10.140 12.477 ( -18.515 -14.849 3.585) 24.003 15.446 ( 7.243 -8.937 -0.094) 11.504======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.828 ( 1.939 -0.866 -7.377) 7.676 4.305 ( -8.296 19.752 -0.640) 21.433 4.913 ( -1.509 14.327 2.042) 14.550 5.701 ( 0.735 0.318 -11.151) 11.180 6.299 ( 2.550 -0.757 3.224) 4.180 6.882 ( 2.372 -5.291 8.922) 10.640 10.047 ( 14.296 1.176 -6.985) 15.954 10.416 ( -13.917 8.717 -2.409) 16.597 10.758 ( 4.568 16.160 5.479) 17.664 11.582 ( -2.909 0.545 -2.519) 3.887 12.144 ( -10.723 -3.528 1.590) 11.400 15.475 ( 8.283 -11.847 -0.061) 14.455======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.812 ( -0.060 -0.633 -6.761) 6.790 4.295 ( -13.354 16.478 -1.435) 21.259 4.993 ( -7.384 15.173 2.839) 17.112 5.650 ( -0.083 -3.670 -10.882) 11.484 6.331 ( 1.941 -1.792 2.079) 3.362 6.874 ( 0.014 -7.534 9.389) 12.038 10.192 ( -6.132 -0.870 -6.976) 9.329 10.240 ( -2.966 3.391 -0.893) 4.593 11.005 ( -0.562 22.351 2.400) 22.486 11.539 ( 4.666 -3.716 -0.168) 5.968 12.030 ( -4.743 2.118 0.793) 5.255 15.501 ( 8.920 -11.878 -0.104) 14.854======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.766 ( -2.694 -0.115 -5.036) 5.712 4.168 ( -18.094 12.545 -2.048) 22.113 4.968 ( -12.161 11.982 1.388) 17.128 5.565 ( -1.627 -3.926 -8.547) 9.545 6.332 ( -0.581 -3.258 1.093) 3.485 6.807 ( -2.067 -7.686 8.705) 11.795 9.920 ( -16.720 -2.485 -2.249) 17.053 10.218 ( -8.288 2.926 -0.788) 8.824 11.178 ( 0.557 16.870 -5.921) 17.888 11.658 ( 6.254 1.161 -5.679) 8.527 12.054 ( 8.038 0.659 8.934) 12.036 15.550 ( 9.588 -9.538 -0.267) 13.527======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.277 ( -0.000 5.778 11.413) 12.792 2.358 ( -0.000 22.524 4.956) 23.063 4.108 ( -0.000 33.583 -4.996) 33.952 4.170 ( -0.000 6.254 -2.023) 6.573 5.136 ( -0.000 28.173 3.774) 28.425 6.987 ( 0.000 -1.814 -2.385) 2.996 8.735 ( -0.000 17.017 2.182) 17.156 9.551 ( 0.000 -9.083 8.472) 12.421 11.221 ( 0.000 -4.461 -1.456) 4.693 11.343 ( 0.000 1.855 -23.324) 23.397 14.138 ( 0.000 -20.413 14.426) 24.996 15.711 ( 0.000 4.126 -15.698) 16.231======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.380 ( 2.419 4.866 7.272) 9.078 2.686 ( 11.591 20.515 4.492) 23.987 4.198 ( -1.535 11.330 -3.562) 11.976 4.486 ( 9.981 23.088 -3.204) 25.356 5.433 ( 1.838 27.316 2.791) 27.519 6.953 ( -1.502 -0.938 -2.070) 2.724 8.986 ( 8.997 18.024 2.511) 20.300 9.503 ( -1.062 -4.963 7.949) 9.431 11.103 ( -5.456 -2.977 -8.036) 10.159 11.322 ( 3.780 -3.121 -14.249) 15.069 13.966 ( -1.446 -23.290 14.194) 27.313 15.665 ( -4.401 4.485 -14.151) 15.483======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.494 ( 4.096 3.351 3.404) 6.292 3.130 ( 16.759 18.741 3.593) 25.396 4.298 ( 1.849 11.547 -4.047) 12.375 4.859 ( 12.435 17.031 -1.871) 21.170 5.720 ( 2.070 23.416 1.171) 23.537 6.913 ( -2.172 0.348 -0.853) 2.359 9.381 ( 14.903 19.630 3.536) 24.899 9.475 ( -1.475 -0.834 5.127) 5.400 10.969 ( -2.393 -4.111 -11.052) 12.032 11.292 ( 0.906 -2.671 -8.137) 8.612 13.732 ( -3.983 -26.009 12.444) 29.107 15.565 ( -7.169 4.456 -11.003) 13.868======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.597 ( 4.607 1.712 0.237) 4.920 3.601 ( 16.774 18.261 2.766) 24.949 4.445 ( 3.547 12.190 -4.205) 13.374 5.202 ( 12.965 10.978 -1.129) 17.026 5.946 ( 1.357 17.203 0.060) 17.256 6.886 ( -2.238 1.536 0.910) 2.862 9.474 ( -0.293 1.991 1.864) 2.743 9.851 ( 15.186 21.155 4.516) 26.430 10.871 ( 0.543 -5.263 -12.396) 13.478 11.271 ( 0.490 1.681 -3.957) 4.327 13.415 ( -8.065 -26.887 9.218) 29.546 15.453 ( -6.509 2.701 -6.586) 9.646======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.678 ( 4.241 0.507 -2.132) 4.774 4.040 ( 13.034 19.241 2.256) 23.349 4.613 ( 4.210 11.977 -3.788) 13.249 5.480 ( 10.563 6.869 -2.237) 12.797 6.097 ( 1.216 10.064 0.860) 10.173 6.869 ( -2.230 1.172 2.400) 3.480 9.524 ( 3.309 3.549 -1.920) 5.218 10.280 ( 9.622 19.287 7.434) 22.800 10.799 ( -0.271 -1.586 -11.600) 11.711 11.341 ( 5.105 6.334 -3.210) 8.745 13.020 ( -12.284 -24.630 5.962) 28.162 15.362 ( -3.284 -1.554 -2.686) 4.518======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.734 ( 3.404 0.012 -3.687) 5.018 4.399 ( 5.319 21.274 1.510) 21.981 4.790 ( 5.707 10.369 -2.193) 12.037 5.656 ( 4.808 5.334 -5.249) 8.895 6.195 ( 2.287 3.283 2.833) 4.903 6.846 ( -1.490 -1.533 3.783) 4.345 9.643 ( 7.928 4.075 -4.485) 9.979 10.564 ( 5.443 6.809 7.200) 11.307 10.770 ( -4.654 12.821 -5.903) 14.862 11.519 ( 7.366 9.078 -4.686) 12.595 12.600 ( -14.035 -19.076 3.664) 23.964 15.294 ( 0.652 -6.973 -0.573) 7.026======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.768 ( 2.334 0.182 -4.441) 5.020 4.610 ( -4.594 20.777 -0.415) 21.283 4.997 ( 7.237 10.557 1.226) 12.858 5.702 ( -1.902 3.841 -7.913) 8.999 6.255 ( 2.554 -1.331 2.754) 3.985 6.822 ( 0.788 -5.422 5.769) 7.957 9.828 ( 11.464 3.864 -5.724) 13.384 10.598 ( -4.228 0.627 -3.386) 5.453 10.913 ( 1.487 18.774 8.410) 20.625 11.648 ( -1.464 6.346 -4.322) 7.816 12.263 ( -9.679 -8.612 1.105) 13.003 15.248 ( 4.473 -11.107 0.025) 11.974======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.786 ( 1.026 0.845 -4.380) 4.577 4.654 ( -10.928 16.546 -1.618) 19.895 5.215 ( 2.545 14.196 4.214) 15.025 5.619 ( -5.643 -1.002 -9.361) 10.976 6.279 ( 2.336 -2.752 0.794) 3.695 6.804 ( 2.027 -8.455 7.340) 11.379 10.038 ( 11.379 3.050 -6.577) 13.492 10.461 ( -12.249 2.133 -2.963) 12.781 11.192 ( 9.365 13.260 10.616) 19.397 11.551 ( -11.385 3.253 -2.790) 12.165 12.124 ( -4.822 0.368 -2.158) 5.296 15.239 ( 7.934 -11.839 -0.011) 14.251======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.789 ( -0.713 1.845 -3.488) 4.010 4.560 ( -15.704 11.485 -1.925) 19.551 5.311 ( -13.118 13.618 2.179) 19.033 5.501 ( 2.089 -3.300 -6.512) 7.593 6.289 ( 1.947 -3.020 -0.832) 3.689 6.766 ( 0.640 -9.303 7.535) 11.988 10.131 ( -6.834 1.003 -9.117) 11.438 10.281 ( -4.281 1.448 2.345) 5.092 11.395 ( -4.104 -1.055 -6.020) 7.362 11.540 ( 7.109 18.514 8.714) 21.662 12.031 ( -3.865 -2.652 -0.504) 4.714 15.289 ( 10.297 -9.088 -0.324) 13.737======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.424 ( -0.000 3.496 6.078) 7.012 2.794 ( -0.000 19.759 3.747) 20.111 4.274 ( -0.000 5.947 -2.024) 6.282 4.630 ( -0.000 24.219 -3.400) 24.457 5.688 ( -0.000 26.390 1.083) 26.412 6.953 ( 0.000 0.038 -1.990) 1.991 9.078 ( -0.000 16.666 2.199) 16.810 9.515 ( -0.000 -0.581 8.418) 8.438 11.148 ( 0.000 -1.863 -1.472) 2.375 11.151 ( 0.000 -6.084 -18.598) 19.568 13.791 ( 0.000 -25.458 12.861) 28.522 15.705 ( 0.000 5.327 -12.411) 13.506======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.485 ( 1.828 2.386 4.060) 5.051 3.079 ( 10.664 17.547 3.222) 20.784 4.343 ( 2.301 7.126 -2.507) 7.897 4.876 ( 5.172 18.351 -1.374) 19.116 5.927 ( 0.178 22.393 -0.819) 22.409 6.945 ( -1.075 1.656 -1.373) 2.405 9.333 ( 10.998 15.998 2.059) 19.522 9.540 ( -1.958 3.325 6.944) 7.944 10.957 ( -5.327 -5.821 -11.565) 14.000 11.195 ( 4.580 -1.523 -5.134) 7.046 13.563 ( -1.840 -27.278 10.818) 29.402 15.680 ( -4.680 5.382 -9.809) 12.128======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.554 ( 2.910 1.336 2.258) 3.918 3.481 ( 16.876 15.433 2.662) 23.023 4.473 ( 4.811 9.336 -3.255) 10.996 5.129 ( 7.889 11.704 0.667) 14.130 6.106 ( -0.713 16.502 -2.127) 16.654 6.943 ( -1.754 3.380 -0.469) 3.837 9.554 ( -3.458 5.874 3.142) 7.505 9.749 ( 18.708 15.816 2.648) 24.640 10.799 ( -2.461 -5.751 -8.986) 10.949 11.244 ( 3.129 1.982 -3.551) 5.131 13.280 ( -4.224 -27.917 8.197) 29.400 15.592 ( -7.969 4.266 -6.544) 11.159======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.620 ( 3.200 0.636 0.825) 3.366 3.932 ( 18.811 14.131 2.330) 23.642 4.648 ( 5.110 11.683 -3.832) 13.315 5.361 ( 9.461 5.766 1.727) 11.213 6.206 ( -1.737 10.324 -1.924) 10.645 6.940 ( -2.938 3.602 0.034) 4.648 9.565 ( -2.653 6.787 -0.369) 7.296 10.231 ( 18.355 14.137 4.581) 23.617 10.721 ( 2.106 -2.080 -8.332) 8.842 11.323 ( 3.352 5.752 -1.991) 6.949 12.949 ( -6.807 -26.478 5.626) 27.912 15.460 ( -9.004 1.478 -3.413) 9.742======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.677 ( 2.932 0.484 -0.319) 2.989 4.378 ( 17.543 13.714 2.413) 22.398 4.824 ( 3.015 12.827 -3.852) 13.728 5.562 ( 9.335 2.281 0.841) 9.647 6.241 ( -2.025 4.698 -0.215) 5.120 6.904 ( -4.545 1.311 0.197) 4.735 9.609 ( 1.003 6.974 -2.424) 7.451 10.530 ( 5.450 0.825 6.239) 8.325 10.849 ( 9.257 13.724 -7.394) 18.131 11.464 ( 6.759 8.020 -1.692) 10.624 12.599 ( -8.474 -22.213 3.749) 24.068 15.305 ( -7.763 -2.746 -1.242) 8.328======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.725 ( 2.380 0.864 -1.195) 2.800 4.779 ( 11.901 15.512 2.440) 19.703 4.958 ( 1.894 9.557 -2.808) 10.139 5.710 ( 5.216 2.877 -2.075) 6.308 6.233 ( -1.241 -0.756 1.636) 2.188 6.821 ( -4.435 -2.779 1.021) 5.333 9.722 ( 5.539 6.939 -2.843) 9.323 10.601 ( 2.908 0.012 1.539) 3.290 11.062 ( 0.894 11.643 0.521) 11.689 11.674 ( 7.284 9.635 -3.155) 12.484 12.299 ( -6.805 -13.599 2.283) 15.376 15.153 ( -4.223 -6.897 -0.223) 8.091======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.765 ( 1.685 1.687 -1.724) 2.942 4.955 ( -7.897 14.435 -1.534) 16.525 5.165 ( 13.618 5.644 1.973) 14.872 5.750 ( -4.982 5.929 -3.906) 8.673 6.209 ( 1.420 -4.518 0.867) 4.815 6.729 ( -1.229 -7.041 3.157) 7.814 9.897 ( 8.479 6.617 -3.116) 11.198 10.626 ( -3.652 4.070 -2.363) 5.957 11.127 ( 2.579 -2.577 5.606) 6.687 11.787 ( -4.405 9.923 -0.674) 10.878 12.167 ( -1.506 -1.513 -1.292) 2.495 15.052 ( 1.592 -8.365 0.034) 8.515======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.802 ( 0.776 2.848 -1.790) 3.453 4.882 ( -12.419 7.274 -1.194) 14.442 5.390 ( 6.842 -0.396 -2.914) 7.448 5.657 ( -11.996 11.676 1.854) 16.843 6.207 ( 3.273 -3.886 -2.588) 5.702 6.671 ( 1.747 -9.275 5.122) 10.738 10.084 ( 7.320 5.909 -5.183) 10.741 10.505 ( -14.091 4.155 -1.208) 14.740 11.187 ( 10.210 -11.228 2.979) 15.466 11.797 ( -4.872 11.411 4.595) 13.231 12.108 ( -6.618 1.328 -3.912) 7.802 15.061 ( 7.610 -5.540 -0.120) 9.414======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.503 ( -0.000 1.509 4.266) 4.525 3.157 ( -0.000 15.675 2.689) 15.904 4.367 ( -0.000 5.093 -1.930) 5.446 5.005 ( -0.000 16.474 -0.046) 16.474 6.119 ( -0.000 18.354 -2.517) 18.526 6.973 ( -0.000 3.553 -1.608) 3.900 9.380 ( -0.000 12.970 1.561) 13.063 9.635 ( -0.000 7.321 6.833) 10.014 10.900 ( 0.000 -8.120 -12.703) 15.076 11.138 ( -0.000 1.760 -0.922) 1.987 13.345 ( 0.000 -28.062 8.535) 29.332 15.744 ( -0.000 5.612 -7.784) 9.596======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.541 ( 1.317 0.909 4.190) 4.485 3.393 ( 10.346 13.161 2.201) 16.884 4.448 ( 4.697 5.470 -2.160) 7.527 5.169 ( 2.371 12.217 1.799) 12.574 6.253 ( -0.814 13.004 -3.496) 13.491 7.004 ( -0.886 5.362 -1.682) 5.689 9.606 ( 12.735 11.055 0.883) 16.887 9.709 ( -3.591 9.701 4.833) 11.418 10.760 ( -2.668 -6.689 -7.921) 10.705 11.198 ( 3.819 3.431 -1.314) 5.299 13.085 ( -1.880 -27.869 6.006) 28.571 15.730 ( -5.154 4.949 -5.334) 8.916======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.590 ( 2.041 0.638 3.869) 4.421 3.749 ( 17.282 10.722 1.857) 20.422 4.612 ( 8.495 7.227 -2.789) 11.497 5.322 ( 3.754 7.162 3.563) 8.836 6.318 ( -1.967 8.026 -3.340) 8.913 7.027 ( -2.314 5.616 -1.998) 6.394 9.729 ( -6.420 10.357 1.480) 12.275 10.003 ( 21.700 9.206 0.854) 23.588 10.660 ( -0.284 -3.647 -4.081) 5.480 11.310 ( 4.549 5.752 -0.592) 7.357 12.795 ( -3.641 -26.191 3.719) 26.703 15.633 ( -9.453 3.281 -2.990) 10.444======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.644 ( 2.230 0.721 3.191) 3.959 4.164 ( 20.337 8.491 1.824) 22.114 4.835 ( 8.975 10.151 -3.592) 14.018 5.455 ( 5.395 1.922 4.717) 7.420 6.324 ( -2.974 4.042 -2.163) 5.465 7.007 ( -4.900 3.706 -2.602) 6.672 9.724 ( -5.327 9.864 0.040) 11.211 10.408 ( 14.138 0.783 4.266) 14.788 10.719 ( 12.096 7.620 -6.726) 15.799 11.445 ( 4.338 6.232 1.037) 7.664 12.499 ( -4.646 -22.319 2.223) 22.906 15.465 ( -12.042 0.726 -1.271) 12.131======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.698 ( 2.110 1.129 2.179) 3.236 4.581 ( 20.321 5.853 2.015) 21.243 5.052 ( 4.171 13.264 -3.596) 14.361 5.579 ( 8.436 -2.216 4.085) 9.632 6.285 ( -3.890 0.710 -0.470) 3.982 6.913 ( -7.574 0.399 -3.019) 8.163 9.762 ( -1.174 9.590 0.657) 9.683 10.525 ( 5.291 -3.501 3.689) 7.338 11.076 ( 12.304 13.628 -6.947) 19.630 11.582 ( 7.949 2.300 1.510) 8.412 12.254 ( -3.523 -14.410 2.066) 14.978 15.252 ( -12.049 -1.921 -0.370) 12.206======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.751 ( 1.915 1.867 1.033) 2.867 4.939 ( 16.835 0.689 1.418) 16.908 5.181 ( -2.873 13.773 -1.062) 14.110 5.727 ( 10.003 -1.245 0.633) 10.100 6.208 ( -4.708 -1.943 1.065) 5.203 6.758 ( -7.660 -3.165 -2.404) 8.630 9.874 ( 3.091 9.416 1.349) 10.001 10.605 ( 6.578 -1.917 1.887) 7.107 11.172 ( -6.889 2.148 -3.028) 7.826 11.793 ( 11.459 3.067 -1.919) 12.016 12.147 ( 0.407 -3.822 2.671) 4.680 15.053 ( -8.086 -2.827 -0.057) 8.566======================= 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 0.00e+00 7.23e-05 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.806 ( 1.693 2.932 -0.000) 3.386 5.053 ( -2.209 -3.826 -0.000) 4.418 5.293 ( 3.921 6.791 0.000) 7.841 5.862 ( 2.971 5.147 -0.000) 5.943 6.121 ( -1.697 -2.939 -0.000) 3.393 6.611 ( -3.486 -6.038 -0.000) 6.972 10.038 ( 5.163 8.943 -0.000) 10.326 10.702 ( 1.809 3.134 -0.000) 3.619 10.991 ( -5.585 -9.673 0.000) 11.169 11.891 ( -0.597 -1.035 -0.000) 1.195 12.183 ( 1.494 2.588 -0.000) 2.988 14.965 ( -0.002 -0.003 -0.000) 0.004======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.555 ( -0.000 0.660 5.859) 5.896 3.425 ( -0.000 10.623 1.686) 10.756 4.441 ( -0.000 3.849 -1.761) 4.233 5.270 ( -0.000 10.303 3.206) 10.790 6.353 ( -0.000 8.936 -4.132) 9.845 7.062 ( -0.000 6.508 -2.635) 7.021 9.583 ( -0.000 7.534 0.327) 7.541 9.870 ( -0.000 12.794 4.623) 13.603 10.694 ( 0.000 -6.423 -6.021) 8.804 11.198 ( -0.000 4.331 0.196) 4.335 12.854 ( 0.000 -26.608 3.403) 26.825 15.807 ( -0.000 4.697 -3.599) 5.917======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.590 ( 0.877 0.652 6.806) 6.893 3.607 ( 10.367 7.883 1.312) 13.089 4.523 ( 6.373 3.767 -1.882) 7.639 5.375 ( 0.682 7.219 4.771) 8.680 6.397 ( -1.210 5.563 -4.041) 6.982 7.104 ( -1.192 6.009 -3.458) 7.035 9.762 ( 13.917 5.183 -0.346) 14.855 9.962 ( -5.965 13.547 2.747) 15.055 10.619 ( -0.367 -4.423 -1.895) 4.826 11.283 ( 4.420 5.024 0.690) 6.727 12.604 ( -1.645 -23.885 0.972) 23.961 15.790 ( -5.780 3.674 -1.894) 7.106======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.639 ( 1.311 0.780 6.674) 6.846 3.913 ( 17.685 5.210 1.247) 18.478 4.709 ( 11.801 4.630 -2.427) 12.908 5.458 ( 0.657 3.709 6.293) 7.335 6.395 ( -2.466 3.008 -3.316) 5.111 7.103 ( -3.382 3.879 -4.376) 6.755 9.955 ( -8.422 11.427 2.074) 14.346 10.113 ( 20.827 2.248 -0.461) 20.953 10.616 ( 4.287 0.762 -0.511) 4.384 11.425 ( 5.387 4.904 1.795) 7.502 12.359 ( -2.608 -19.319 -0.712) 19.507 15.674 ( -10.921 2.164 -0.650) 11.152======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.692 ( 1.500 0.982 5.521) 5.805 4.280 ( 20.867 2.416 1.533) 21.063 4.974 ( 14.415 6.465 -3.543) 16.191 5.508 ( 0.642 -0.408 7.626) 7.664 6.354 ( -3.633 1.050 -2.090) 4.321 7.028 ( -6.554 0.879 -5.331) 8.494 9.936 ( -6.668 10.524 3.657) 12.984 10.368 ( 10.185 -6.115 2.249) 12.090 10.870 ( 20.847 10.748 -5.183) 24.021 11.526 ( 1.610 0.084 2.628) 3.083 12.168 ( -1.255 -11.635 -0.544) 11.715 15.474 ( -14.261 0.789 -0.047) 14.283======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.745 ( 1.716 1.368 3.744) 4.340 4.636 ( 19.784 -1.275 1.768) 19.904 5.260 ( 10.372 10.326 -4.431) 15.292 5.532 ( 4.146 -6.539 7.727) 10.939 6.284 ( -4.659 -0.044 -0.297) 4.669 6.871 ( -9.207 -1.807 -5.818) 11.040 9.976 ( -2.145 9.857 5.608) 11.542 10.438 ( 7.520 -7.929 1.691) 11.058 11.290 ( 6.176 14.696 -8.679) 18.150 11.523 ( 10.708 -8.305 2.537) 13.787 12.102 ( 1.310 -4.484 2.162) 5.148 15.238 ( -14.148 0.829 0.080) 14.172======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.617 ( -0.000 0.722 9.000) 9.029 3.584 ( -0.000 5.015 0.841) 5.085 4.489 ( -0.000 2.360 -1.567) 2.833 5.452 ( -0.000 5.566 6.126) 8.277 6.438 ( -0.000 3.655 -4.260) 5.613 7.153 ( -0.000 4.736 -4.490) 6.526 9.677 ( -0.000 2.658 -0.977) 2.831 10.165 ( -0.000 14.313 2.639) 14.554 10.577 ( 0.000 -3.773 1.223) 3.966 11.287 ( -0.000 3.821 1.384) 4.064 12.406 ( 0.000 -19.597 -1.857) 19.684 15.868 ( -0.000 3.129 -0.716) 3.210======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.660 ( 0.391 0.693 9.653) 9.686 3.711 ( 10.568 2.197 0.695) 10.816 4.566 ( 7.390 1.884 -1.630) 7.799 5.516 ( -0.267 3.307 7.525) 8.224 6.440 ( -1.387 2.173 -4.019) 4.775 7.158 ( -1.637 2.216 -5.505) 6.156 9.808 ( 13.848 0.451 -1.504) 13.936 10.222 ( -7.212 9.084 2.020) 11.774 10.579 ( 1.035 1.261 4.309) 4.608 11.375 ( 5.509 3.123 2.153) 6.688 12.224 ( -1.379 -13.521 -4.127) 14.204 15.841 ( -6.282 2.165 0.121) 6.645======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.705 ( 0.597 0.430 8.546) 8.578 3.965 ( 18.026 -0.512 1.038) 18.064 4.754 ( 13.698 1.590 -2.048) 13.941 5.553 ( -1.190 0.849 8.729) 8.851 6.408 ( -2.701 1.009 -3.295) 4.378 7.098 ( -4.098 -0.891 -6.663) 7.873 10.076 ( 17.780 -3.860 -1.364) 18.245 10.163 ( -7.421 4.414 4.804) 9.881 10.685 ( 7.769 6.427 2.292) 10.340 11.504 ( 4.334 2.066 2.885) 5.602 12.088 ( -1.145 -6.202 -4.813) 7.934 15.707 ( -11.704 1.389 0.438) 11.794======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.746 ( 1.068 0.170 6.242) 6.335 4.279 ( 20.709 -3.548 1.662) 21.076 5.022 ( 17.762 0.715 -2.888) 18.009 5.548 ( -2.792 -1.481 9.255) 9.779 6.351 ( -3.635 0.292 -1.881) 4.103 6.960 ( -6.871 -3.467 -7.568) 10.794 10.114 ( -1.738 -1.575 7.864) 8.206 10.243 ( 6.823 -3.516 -1.023) 7.744 11.021 ( 23.208 6.792 -0.740) 24.193 11.534 ( -4.239 2.555 0.882) 5.027 12.045 ( 1.175 -1.552 -2.257) 2.980 15.498 ( -14.654 1.749 0.370) 14.763======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.699 ( -0.000 0.359 11.303) 11.308 3.628 ( 0.000 -0.776 0.334) 0.845 4.509 ( 0.000 0.732 -1.408) 1.587 5.571 ( -0.000 1.672 8.869) 9.025 6.454 ( 0.000 1.383 -4.273) 4.491 7.160 ( 0.000 -0.550 -6.545) 6.568 9.680 ( 0.000 -1.160 -1.872) 2.202 10.301 ( 0.000 -5.060 0.910) 5.142 10.680 ( -0.000 13.504 9.356) 16.428 11.345 ( -0.000 0.758 2.164) 2.292 12.123 ( 0.000 -5.796 -7.020) 9.104 15.914 ( -0.000 1.576 0.620) 1.693======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.735 ( -0.223 -0.484 10.795) 10.808 3.702 ( 10.941 -3.500 0.556) 11.500 4.573 ( 7.708 -0.089 -1.436) 7.841 5.604 ( -0.726 -0.448 9.989) 10.026 6.438 ( -1.396 0.557 -4.005) 4.278 7.101 ( -1.872 -3.675 -7.734) 8.765 9.765 ( 12.627 -3.614 -2.217) 13.320 10.212 ( -0.896 -10.428 2.926) 10.868 10.807 ( -5.481 15.407 9.029) 18.681 11.429 ( 7.375 0.851 3.660) 8.277 12.066 ( -1.408 1.914 -8.799) 9.115 15.874 ( -6.422 1.090 0.668) 6.548======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.755 ( 0.010 -1.652 8.332) 8.494 3.909 ( 18.298 -6.096 1.360) 19.335 4.743 ( 13.773 -1.422 -1.605) 13.939 5.603 ( -1.851 -2.620 10.292) 10.780 6.394 ( -2.420 -0.429 -3.037) 3.907 6.977 ( -3.991 -5.954 -8.727) 11.293 9.926 ( 11.310 -10.452 -1.206) 15.447 10.150 ( 5.518 -8.589 3.561) 10.812 10.913 ( 1.082 13.147 6.662) 14.778 11.576 ( 4.529 3.154 5.839) 8.034 12.053 ( -1.873 6.923 -9.214) 11.676 15.736 ( -11.411 1.467 0.401) 11.512======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.767 ( -0.000 -1.834 11.530) 11.675 3.561 ( 0.000 -6.477 0.323) 6.485 4.498 ( 0.000 -0.961 -1.345) 1.653 5.631 ( -0.000 -2.754 11.036) 11.375 6.436 ( 0.000 -0.617 -4.164) 4.209 7.040 ( 0.000 -6.239 -8.785) 10.776 9.610 ( 0.000 -4.712 -2.178) 5.191 10.090 ( 0.000 -16.119 2.791) 16.359 11.098 ( -0.000 20.070 13.513) 24.195 11.342 ( 0.000 -2.542 2.357) 3.467 12.102 ( -0.000 9.343 -10.843) 14.312 15.939 ( -0.000 0.766 0.445) 0.886======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.768 ( -0.945 -3.852 9.813) 10.584 3.587 ( 11.553 -8.968 1.006) 14.660 4.543 ( 7.418 -2.034 -1.352) 7.810 5.623 ( -0.801 -5.459 11.257) 12.536 6.395 ( -1.032 -3.412 -3.843) 5.241 6.929 ( -1.771 -6.758 -9.365) 11.684 9.639 ( 9.928 -7.932 -2.286) 12.912 9.956 ( 2.854 -16.720 3.160) 17.254 11.153 ( -9.156 10.309 7.800) 15.841 11.514 ( 9.772 6.733 9.997) 15.517 12.161 ( -2.241 14.434 -12.002) 18.905 15.896 ( -6.045 1.094 -0.091) 6.143======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.765 ( -0.000 -6.338 10.013) 11.850 3.388 ( 0.000 -11.905 0.863) 11.936 4.454 ( 0.000 -2.625 -1.420) 2.984 5.599 ( 0.000 -8.925 11.398) 14.476 6.326 ( 0.000 -10.268 -4.941) 11.395 6.861 ( 0.000 -3.454 -8.676) 9.338 9.469 ( 0.000 -8.639 -1.836) 8.832 9.776 ( 0.000 -17.377 2.841) 17.608 11.291 ( 0.000 -3.890 1.934) 4.344 11.596 ( -0.000 20.275 16.894) 26.391 12.301 ( -0.000 18.678 -12.041) 22.223 15.954 ( -0.000 1.244 -0.999) 1.595======================= 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 0.00e+00 7.23e-05 Number of triplets: 580Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.881 ( -0.000 -0.000 18.623) 18.623 0.881 ( -0.000 -0.000 18.623) 18.623 1.667 ( -0.000 -0.000 36.352) 36.352 3.862 ( 0.000 0.000 -2.381) 2.381 3.862 ( 0.000 0.000 -2.381) 2.381 7.999 ( -0.000 -0.000 1.019) 1.019 7.999 ( -0.000 -0.000 1.019) 1.019 8.209 ( 0.000 0.000 -11.358) 11.358 11.518 ( 0.000 0.000 -0.769) 0.769 11.518 ( 0.000 0.000 -0.769) 0.769 14.772 ( -0.000 -0.000 4.265) 4.265 15.203 ( 0.000 0.000 -2.179) 2.179======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.203 ( 17.026 9.830 13.915) 24.086 1.270 ( 25.971 14.994 14.900) 33.486 1.888 ( 11.325 6.539 29.057) 31.864 3.852 ( 0.885 0.511 -2.555) 2.752 3.979 ( 9.885 5.707 -1.951) 11.580 7.388 ( -17.923 -10.348 3.063) 20.921 8.067 ( 5.080 2.933 1.148) 5.977 9.256 ( 50.880 29.376 -23.624) 63.323 11.290 ( -16.372 -9.453 -2.329) 19.048 11.478 ( -2.801 -1.617 -0.835) 3.340 14.741 ( -4.125 -2.381 5.562) 7.323 15.430 ( 16.188 9.346 -10.733) 21.555======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.666 ( 20.512 11.842 8.893) 25.299 1.780 ( 13.563 7.830 19.123) 24.717 2.476 ( 34.728 20.050 10.772) 41.522 3.884 ( 2.713 1.566 -2.348) 3.915 4.266 ( 15.944 9.205 -0.604) 18.421 7.140 ( -7.344 -4.240 -0.132) 8.481 8.229 ( 9.119 5.265 1.285) 10.608 9.964 ( 13.764 7.947 -7.793) 17.702 11.032 ( 2.050 1.183 -17.911) 18.067 11.394 ( -4.391 -2.535 -0.886) 5.147 14.642 ( -6.498 -3.752 8.430) 11.285 15.647 ( 5.969 3.446 -16.130) 17.540======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.095 ( 11.140 6.431 14.112) 19.094 2.146 ( 20.346 11.747 5.101) 24.041 3.341 ( 39.103 22.576 2.784) 45.237 3.954 ( 4.187 2.418 -1.784) 5.154 4.659 ( 18.999 10.969 1.150) 21.968 7.007 ( -4.900 -2.829 -2.084) 6.030 8.473 ( 12.349 7.130 1.465) 14.334 9.908 ( -11.053 -6.381 6.117) 14.153 11.227 ( 15.693 9.061 -26.737) 32.299 11.288 ( -4.617 -2.666 -0.969) 5.419 14.526 ( -7.159 -4.133 12.954) 15.367 15.592 ( -4.744 -2.739 -17.567) 18.401======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.381 ( 11.403 6.584 6.619) 14.738 2.589 ( 18.312 10.573 2.355) 21.276 4.053 ( 5.053 2.917 -0.990) 5.918 4.170 ( 34.886 20.142 -1.713) 40.319 5.094 ( 19.299 11.143 2.882) 22.471 6.900 ( -4.109 -2.373 -1.995) 5.148 8.774 ( 13.977 8.070 1.723) 16.231 9.704 ( -7.822 -4.516 6.289) 11.006 11.195 ( -3.188 -1.840 -1.161) 3.859 11.382 ( 5.126 2.960 -23.865) 24.588 14.380 ( -12.156 -7.018 16.085) 21.348 15.403 ( -4.475 -2.584 -16.563) 17.351======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.633 ( 10.118 5.842 -0.132) 11.684 2.966 ( 15.254 8.807 0.587) 17.624 4.166 ( 5.176 2.989 -0.157) 5.979 4.849 ( 27.252 15.734 -5.852) 32.007 5.516 ( 17.306 9.992 4.338) 20.449 6.819 ( -2.758 -1.592 0.203) 3.191 9.086 ( 13.172 7.605 2.043) 15.346 9.630 ( -0.392 -0.226 4.898) 4.919 11.150 ( -0.293 -0.169 -1.508) 1.545 11.305 ( -4.340 -2.506 -20.906) 21.499 14.027 ( -23.895 -13.796 10.907) 29.669 15.370 ( 5.357 3.093 -8.288) 10.342======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.820 ( 7.511 4.336 -5.581) 10.313 3.265 ( 11.686 6.747 -0.278) 13.497 4.276 ( 4.613 2.663 0.559) 5.356 5.328 ( 18.469 10.663 -9.690) 23.425 5.875 ( 13.363 7.715 5.272) 16.306 6.792 ( -0.109 -0.063 3.951) 3.953 9.352 ( 9.935 5.736 2.292) 11.699 9.716 ( 6.760 3.903 2.895) 8.325 11.097 ( -7.546 -4.357 -17.382) 19.444 11.175 ( 3.008 1.737 -1.925) 3.972 13.450 ( -29.392 -16.969 6.047) 34.474 15.530 ( 9.282 5.359 -1.850) 10.876======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.928 ( 4.632 2.674 -9.497) 10.900 3.480 ( 7.814 4.512 -0.498) 9.037 4.370 ( 3.564 2.057 1.096) 4.258 5.612 ( 10.962 6.329 -12.177) 17.564 6.132 ( 8.150 4.706 5.478) 10.890 6.842 ( 2.594 1.498 7.665) 8.230 9.533 ( 5.692 3.286 2.318) 6.969 9.934 ( 11.958 6.904 0.527) 13.818 10.894 ( -5.460 -3.153 -13.417) 14.825 11.259 ( 4.756 2.746 -2.225) 5.926 12.818 ( -28.461 -16.432 5.142) 33.264 15.723 ( 7.825 4.518 -0.038) 9.036======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.966 ( 2.197 1.268 -11.782) 12.052 3.606 ( 3.652 2.108 -0.442) 4.240 4.439 ( 2.237 1.291 1.451) 2.962 5.752 ( 5.956 3.439 -13.001) 14.708 6.279 ( 3.821 2.206 5.380) 6.958 6.933 ( 2.315 1.337 9.905) 10.260 9.624 ( 1.951 1.126 2.159) 3.120 10.216 ( 12.267 7.082 -1.481) 14.241 10.787 ( 0.138 0.080 -10.888) 10.890 11.350 ( 3.716 2.145 -2.337) 4.886 12.268 ( -21.954 -12.675 6.797) 26.245 15.861 ( 4.492 2.594 -0.174) 5.190======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.950 ( 0.126 0.073 -12.517) 12.518 3.636 ( -0.810 -0.468 -0.418) 1.025 4.477 ( 0.766 0.442 1.623) 1.848 5.797 ( 2.088 1.206 -13.119) 13.339 6.354 ( 1.617 0.934 5.315) 5.634 6.984 ( -1.378 -0.796 10.822) 10.939 9.639 ( -1.101 -0.636 1.992) 2.363 10.343 ( -2.653 -1.532 -2.984) 4.277 10.890 ( 13.510 7.800 -11.033) 19.107 11.393 ( 0.704 0.406 -2.318) 2.457 11.951 ( -8.006 -4.622 9.644) 13.360 15.924 ( 1.517 0.876 -0.348) 1.786======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.886 ( -2.246 -1.297 -11.884) 12.164 3.565 ( -5.515 -3.184 -0.573) 6.394 4.483 ( -0.769 -0.444 1.609) 1.838 5.751 ( -2.449 -1.414 -12.614) 12.927 6.390 ( -0.183 -0.106 4.722) 4.726 6.940 ( -5.527 -3.191 10.871) 12.606 9.589 ( -4.057 -2.342 1.906) 5.058 10.123 ( -14.028 -8.099 -3.628) 16.599 11.233 ( 19.097 11.026 -12.993) 25.595 11.366 ( -2.290 -1.322 -2.196) 3.438 11.989 ( 7.377 4.259 11.270) 14.126 15.940 ( 0.306 0.177 0.228) 0.421======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.071 ( -0.000 12.078 15.041) 19.291 1.449 ( -0.000 30.513 15.747) 34.337 1.993 ( -0.000 12.728 26.306) 29.224 3.889 ( -0.000 3.281 -2.345) 4.033 3.929 ( -0.000 9.596 -2.081) 9.819 7.403 ( 0.000 -20.911 2.301) 21.038 8.042 ( -0.000 4.523 1.128) 4.661 9.182 ( -0.000 55.680 -20.385) 59.294 11.298 ( 0.000 -15.864 -3.330) 16.210 11.494 ( 0.000 -2.348 -0.825) 2.489 14.754 ( 0.000 -5.184 5.778) 7.762 15.388 ( -0.000 16.287 -9.446) 18.828======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.451 ( 19.868 13.810 10.396) 26.335 1.811 ( 5.595 16.349 20.690) 26.957 2.356 ( 14.033 29.025 11.358) 34.182 3.898 ( -0.824 5.298 -2.152) 5.777 4.141 ( 10.665 12.680 -0.938) 16.596 7.194 ( -5.678 -8.966 0.318) 10.617 8.162 ( 6.392 6.990 1.266) 9.556 9.755 ( 18.118 24.875 -12.686) 33.286 11.060 ( -8.179 -4.990 -11.643) 15.079 11.435 ( -3.053 -2.559 -1.010) 4.109 14.693 ( -2.761 -7.044 7.787) 10.857 15.552 ( 5.451 9.436 -14.062) 17.790======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.953 ( 19.227 14.092 6.298) 24.657 2.086 ( 7.006 9.395 17.611) 21.154 3.041 ( 27.355 31.548 2.141) 41.811 3.956 ( 1.360 7.386 -1.429) 7.645 4.492 ( 15.414 14.380 0.740) 21.093 7.048 ( -4.582 -4.219 -1.638) 6.441 8.383 ( 9.550 10.263 1.431) 14.091 9.955 ( -1.155 -8.618 4.877) 9.969 11.028 ( 7.109 11.534 -23.930) 27.499 11.353 ( -3.935 -0.293 -2.338) 4.586 14.596 ( -3.703 -7.925 11.358) 14.336 15.581 ( -2.035 1.006 -16.703) 16.857======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.298 ( 9.434 6.658 8.684) 14.448 2.453 ( 15.541 16.713 4.465) 23.255 3.774 ( 27.148 18.242 -2.552) 32.806 4.100 ( 6.116 16.082 -0.086) 17.206 4.913 ( 17.575 14.112 2.463) 22.674 6.939 ( -4.060 -2.610 -2.021) 5.233 8.677 ( 11.254 13.257 1.704) 17.473 9.777 ( -6.781 -10.928 7.065) 14.674 11.154 ( 5.067 -0.325 -13.354) 14.287 11.313 ( -1.006 5.882 -11.836) 13.255 14.489 ( -5.238 -10.352 15.375) 19.261 15.427 ( -7.038 -1.242 -17.444) 18.851======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.529 ( 9.102 5.412 2.413) 10.861 2.862 ( 12.864 16.685 1.216) 21.103 4.103 ( 7.681 4.651 -1.265) 9.068 4.594 ( 22.652 23.551 -3.994) 32.920 5.344 ( 17.351 12.348 3.963) 21.661 6.853 ( -3.158 -1.527 -0.541) 3.550 9.007 ( 10.810 15.143 2.092) 18.723 9.638 ( -1.989 -6.104 5.430) 8.409 11.144 ( 0.978 -1.384 -5.924) 6.162 11.274 ( -3.119 0.106 -16.299) 16.595 14.251 ( -15.494 -16.775 12.549) 26.057 15.312 ( 0.438 2.884 -11.311) 11.681======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.713 ( 7.794 3.649 -3.460) 9.275 3.203 ( 9.166 15.714 -0.185) 18.193 4.249 ( 4.570 5.931 0.093) 7.487 5.112 ( 18.489 15.901 -7.952) 25.650 5.737 ( 15.001 9.553 5.127) 18.508 6.810 ( -1.051 -0.191 2.432) 2.656 9.320 ( 7.744 15.494 2.479) 17.498 9.639 ( 4.854 -1.669 3.291) 6.097 11.097 ( -4.609 -5.035 -17.708) 18.978 11.166 ( 0.053 2.735 -1.547) 3.142 13.754 ( -25.215 -19.693 6.106) 32.572 15.411 ( 8.600 3.875 -2.872) 9.861======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.831 ( 5.681 1.769 -7.929) 9.913 3.464 ( 5.127 14.266 -0.609) 15.172 4.371 ( 2.547 6.863 0.863) 7.371 5.453 ( 12.086 9.328 -10.696) 18.641 6.046 ( 10.654 6.170 5.675) 13.557 6.836 ( 1.999 1.042 5.778) 6.203 9.564 ( 2.804 14.807 2.667) 15.304 9.781 ( 11.164 1.418 0.803) 11.282 10.893 ( -5.596 -5.740 -12.804) 15.106 11.237 ( 3.045 6.178 -2.772) 7.425 13.136 ( -27.686 -18.656 3.925) 33.615 15.598 ( 10.184 1.505 0.201) 10.296======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.885 ( 3.550 0.315 -10.745) 11.320 3.640 ( 0.829 12.451 -0.564) 12.492 4.468 ( 0.381 7.325 1.340) 7.456 5.638 ( 7.210 4.772 -11.847) 14.666 6.243 ( 5.733 2.917 5.483) 8.453 6.923 ( 3.696 0.981 8.280) 9.120 9.713 ( -2.407 13.846 2.536) 14.281 10.025 ( 15.195 2.774 -1.669) 15.536 10.744 ( -1.932 -3.991 -9.017) 10.048 11.345 ( 2.541 7.629 -2.995) 8.580 12.544 ( -24.576 -15.222 4.676) 29.285 15.756 ( 8.394 -1.545 0.277) 8.539======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.888 ( 1.694 -0.687 -11.901) 12.041 3.724 ( -3.741 10.349 -0.504) 11.016 4.531 ( -1.793 7.258 1.592) 7.644 5.718 ( 3.786 1.749 -12.119) 12.817 6.344 ( 2.685 0.709 5.159) 5.859 7.005 ( 1.782 -0.916 9.539) 9.747 9.769 ( -6.644 12.101 2.192) 13.978 10.274 ( 10.403 0.611 -3.099) 10.872 10.709 ( 5.401 -0.754 -8.000) 9.682 11.430 ( 0.012 7.215 -2.998) 7.813 12.108 ( -14.903 -8.713 7.044) 18.645 15.845 ( 5.791 -4.004 -0.292) 7.046======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.849 ( -0.236 -1.602 -11.540) 11.653 3.708 ( -8.571 8.019 -0.660) 11.756 4.557 ( -3.789 6.618 1.603) 7.792 5.716 ( 0.233 -0.877 -12.010) 12.045 6.393 ( 1.324 -0.446 4.663) 4.867 7.011 ( -2.590 -3.672 9.927) 10.897 9.743 ( -9.528 9.045 2.107) 13.305 10.246 ( -8.761 -5.209 -3.716) 10.849 10.899 ( 18.026 1.508 -9.020) 20.214 11.469 ( -2.263 8.207 -4.189) 9.489 11.971 ( 0.606 -0.479 9.833) 9.864 15.879 ( 4.084 -5.112 -0.321) 6.551======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.476 ( -0.000 19.992 10.437) 22.553 1.977 ( -0.000 9.735 23.542) 25.475 2.596 ( -0.000 38.498 3.542) 38.660 3.953 ( -0.000 4.968 -2.389) 5.512 4.196 ( -0.000 18.684 0.321) 18.687 7.152 ( 0.000 -8.330 -0.427) 8.341 8.189 ( -0.000 9.873 1.503) 9.987 9.801 ( -0.000 15.679 -4.840) 16.409 11.058 ( 0.000 1.997 -17.761) 17.873 11.420 ( 0.000 -4.542 -1.028) 4.657 14.662 ( 0.000 -9.429 8.887) 12.957 15.559 ( 0.000 9.273 -14.275) 17.023======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.842 ( 14.492 19.647 7.391) 25.507 2.146 ( 2.976 6.135 20.028) 21.156 3.073 ( 10.585 39.177 -1.430) 40.607 4.007 ( 1.292 7.228 -1.854) 7.573 4.463 ( 7.801 20.481 1.680) 21.980 7.060 ( -2.597 -4.866 -1.665) 5.761 8.360 ( 6.642 12.511 1.706) 14.267 9.876 ( 1.666 -7.615 5.936) 9.798 11.033 ( -1.775 12.261 -23.490) 26.557 11.370 ( -0.369 -2.623 -2.535) 3.666 14.583 ( -1.398 -11.124 11.433) 16.012 15.575 ( -1.059 4.073 -16.119) 16.660======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.252 ( 9.040 10.359 6.884) 15.376 2.396 ( 13.200 14.575 10.537) 22.309 3.624 ( 15.356 28.092 -4.421) 32.319 4.153 ( 5.979 14.115 -0.596) 15.341 4.831 ( 11.809 19.697 2.775) 23.133 6.967 ( -3.260 -2.772 -2.122) 4.777 8.647 ( 10.346 15.902 1.997) 19.076 9.766 ( -3.406 -13.622 8.246) 16.284 11.053 ( 1.565 4.711 -17.633) 18.318 11.348 ( -0.702 2.263 -7.317) 7.691 14.482 ( -2.162 -13.748 14.593) 20.165 15.479 ( -6.023 1.261 -17.292) 18.354======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.457 ( 6.868 5.217 4.163) 9.577 2.834 ( 13.872 19.662 3.726) 24.350 4.005 ( 9.997 11.322 -3.929) 15.606 4.517 ( 14.858 23.913 -2.120) 28.233 5.232 ( 13.554 17.002 3.573) 22.035 6.888 ( -3.048 -1.420 -1.120) 3.544 9.006 ( 11.068 19.353 2.490) 22.433 9.619 ( -2.675 -9.524 6.148) 11.647 11.049 ( 2.729 -1.500 -13.026) 13.393 11.307 ( -3.485 0.796 -8.394) 9.123 14.307 ( -7.338 -19.329 14.075) 25.011 15.339 ( -4.907 3.406 -14.048) 15.265======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.617 ( 6.633 3.348 -1.045) 7.504 3.232 ( 9.704 20.626 1.174) 22.825 4.218 ( 6.830 8.268 -1.689) 10.857 4.982 ( 15.333 19.822 -5.512) 25.660 5.616 ( 13.472 12.891 4.313) 19.138 6.839 ( -1.778 -0.154 1.188) 2.144 9.381 ( 8.625 21.692 3.078) 23.546 9.558 ( 2.026 -4.961 3.484) 6.392 11.021 ( 1.148 -3.740 -15.530) 16.015 11.215 ( -3.745 0.742 -2.884) 4.784 13.932 ( -17.527 -22.689 7.825) 29.719 15.330 ( 3.196 3.857 -5.663) 7.560======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.730 ( 5.426 1.556 -5.320) 7.757 3.555 ( 5.011 20.676 -0.060) 21.275 4.394 ( 4.747 9.075 -0.141) 10.242 5.335 ( 10.827 12.903 -8.402) 18.823 5.944 ( 11.592 8.294 5.137) 15.151 6.839 ( 0.558 0.698 3.947) 4.047 9.616 ( 8.024 -1.585 0.193) 8.181 9.710 ( 3.633 22.407 4.087) 23.065 10.884 ( -4.662 -5.906 -12.709) 14.770 11.237 ( 2.857 5.753 -2.361) 6.843 13.387 ( -23.566 -21.397 3.717) 32.047 15.444 ( 8.286 0.203 -0.549) 8.307======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.792 ( 3.831 0.275 -8.222) 9.075 3.791 ( 0.175 19.790 -0.501) 19.797 4.547 ( 1.987 10.555 0.970) 10.784 5.539 ( 6.531 7.041 -10.128) 13.957 6.182 ( 7.625 4.047 5.212) 10.083 6.895 ( 3.163 0.336 6.386) 7.135 9.786 ( 13.359 -0.129 -2.196) 13.539 9.952 ( -2.489 23.022 3.659) 23.443 10.721 ( -3.637 -4.773 -7.453) 9.569 11.362 ( 4.029 8.596 -3.528) 10.128 12.807 ( -23.984 -17.808 2.924) 30.015 15.575 ( 9.317 -4.229 0.579) 10.248======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.811 ( 2.258 -0.368 -9.655) 9.922 3.934 ( -4.672 18.044 -0.680) 18.652 4.664 ( -1.472 11.893 1.735) 12.109 5.634 ( 3.838 2.737 -10.788) 11.773 6.313 ( 3.798 0.757 4.564) 5.986 6.976 ( 3.679 -1.504 8.070) 8.996 10.017 ( 12.785 1.527 -3.375) 13.311 10.088 ( -6.175 19.559 1.373) 20.556 10.647 ( 0.489 -0.569 -3.450) 3.530 11.481 ( 1.505 7.785 -3.467) 8.654 12.311 ( -18.579 -11.824 3.852) 22.356 15.666 ( 8.377 -7.726 0.108) 11.396======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.798 ( 0.641 -0.630 -9.663) 9.705 3.975 ( -9.537 15.647 -0.951) 18.349 4.733 ( -5.082 12.335 2.014) 13.492 5.652 ( 1.628 -0.575 -10.896) 11.031 6.371 ( 2.148 -1.119 3.920) 4.608 7.019 ( 0.857 -4.207 8.761) 9.756 10.061 ( -12.881 14.189 1.505) 19.223 10.217 ( 7.089 -2.710 -5.690) 9.485 10.712 ( 4.909 7.452 -2.914) 9.388 11.534 ( 0.120 4.312 -2.804) 5.144 12.036 ( -7.060 -3.050 5.321) 9.352 15.711 ( 7.262 -9.443 -0.348) 11.917======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.946 ( -0.000 22.163 7.482) 23.392 2.232 ( -0.000 3.954 17.412) 17.855 3.375 ( -0.000 40.517 -3.494) 40.667 4.043 ( -0.000 6.034 -2.460) 6.516 4.633 ( -0.000 25.143 2.919) 25.312 7.031 ( 0.000 -3.924 -2.145) 4.472 8.436 ( -0.000 14.476 1.916) 14.602 9.802 ( 0.000 -11.374 9.157) 14.602 11.105 ( 0.000 13.450 -25.319) 28.670 11.314 ( 0.000 -5.418 -1.279) 5.567 14.515 ( 0.000 -13.789 12.820) 18.828 15.574 ( 0.000 4.326 -16.508) 17.065======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.260 ( 7.004 16.483 5.905) 18.858 2.368 ( 7.605 8.402 12.359) 16.768 3.759 ( 3.056 32.778 -4.745) 33.261 4.154 ( 6.837 10.256 -1.808) 12.458 4.930 ( 4.325 25.752 3.172) 26.305 6.977 ( -1.757 -2.493 -2.430) 3.899 8.656 ( 7.560 16.678 2.094) 18.431 9.707 ( -1.431 -12.477 9.781) 15.918 11.072 ( -4.533 4.827 -17.580) 18.786 11.307 ( 3.402 -1.096 -6.515) 7.431 14.407 ( -0.891 -17.018 14.511) 22.382 15.528 ( -3.629 3.774 -16.949) 17.740======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.431 ( 4.003 4.826 5.248) 8.177 2.780 ( 16.288 18.812 5.631) 25.513 4.019 ( 2.813 17.032 -4.676) 17.885 4.485 ( 14.027 20.107 -1.628) 24.570 5.270 ( 6.557 23.408 2.690) 24.457 6.916 ( -2.343 -1.149 -1.762) 3.149 9.007 ( 12.328 19.683 2.399) 23.348 9.595 ( -2.637 -9.115 7.584) 12.147 10.982 ( -1.731 -0.848 -12.761) 12.905 11.309 ( 0.313 -1.209 -7.278) 7.385 14.242 ( -3.285 -21.754 14.221) 26.196 15.427 ( -6.138 4.881 -14.889) 16.828======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.553 ( 4.738 3.079 1.143) 5.765 3.241 ( 14.413 20.038 3.115) 24.879 4.201 ( 4.788 11.810 -3.442) 13.200 4.913 ( 14.486 18.568 -2.510) 23.684 5.599 ( 7.518 18.587 2.182) 20.168 6.872 ( -1.899 0.142 -0.039) 1.905 9.434 ( 12.532 22.434 2.454) 25.814 9.514 ( -0.880 -4.539 4.886) 6.727 10.915 ( 0.803 -3.441 -12.444) 12.936 11.256 ( -2.136 -0.935 -4.069) 4.690 13.953 ( -9.536 -25.392 9.923) 28.882 15.351 ( -3.307 5.092 -8.808) 10.698======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.650 ( 4.391 1.625 -2.361) 5.244 3.650 ( 9.640 21.615 1.351) 23.706 4.388 ( 5.980 10.419 -1.937) 12.168 5.271 ( 10.713 13.861 -4.405) 18.064 5.885 ( 8.039 12.221 2.778) 14.889 6.858 ( -0.710 0.818 2.067) 2.333 9.505 ( 3.187 -1.719 0.542) 3.661 9.860 ( 8.633 24.714 4.692) 26.596 10.836 ( -1.006 -4.903 -11.882) 12.893 11.240 ( 1.212 3.266 -1.907) 3.971 13.516 ( -16.432 -24.737 4.972) 30.111 15.355 ( 1.928 1.377 -2.756) 3.634======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.714 ( 3.415 0.654 -4.905) 6.013 3.975 ( 3.433 22.681 0.111) 22.940 4.584 ( 5.898 10.493 -0.155) 12.038 5.495 ( 5.265 9.353 -6.866) 12.741 6.115 ( 7.490 6.046 3.931) 10.398 6.876 ( 1.145 -0.056 4.006) 4.166 9.592 ( 8.466 0.095 -2.081) 8.719 10.212 ( 2.573 25.573 5.657) 26.317 10.716 ( -3.645 -3.974 -7.894) 9.560 11.346 ( 5.559 7.416 -3.193) 9.803 12.999 ( -19.916 -21.020 2.433) 29.059 15.403 ( 5.558 -4.210 0.034) 6.972======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.746 ( 2.268 0.338 -6.409) 6.807 4.193 ( -2.894 21.978 -0.763) 22.181 4.778 ( 3.709 12.249 1.717) 12.913 5.590 ( 1.478 5.083 -8.582) 10.083 6.265 ( 4.708 1.267 3.708) 6.125 6.920 ( 3.290 -2.417 5.914) 7.186 9.766 ( 12.825 0.792 -3.956) 13.444 10.454 ( -7.173 23.826 1.716) 24.942 10.630 ( 1.098 0.510 -0.034) 1.211 11.499 ( 3.911 7.923 -4.003) 9.700 12.504 ( -18.472 -15.124 1.736) 23.937 15.448 ( 7.281 -9.122 0.397) 11.678======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.755 ( 1.068 0.538 -6.858) 6.961 4.295 ( -8.424 19.518 -1.324) 21.299 4.940 ( -1.340 14.969 3.108) 15.347 5.596 ( -0.010 0.453 -9.573) 9.583 6.329 ( 2.555 -1.687 2.736) 4.106 6.964 ( 3.294 -5.304 7.240) 9.560 9.983 ( 13.686 0.329 -5.569) 14.780 10.392 ( -12.230 6.611 -2.412) 14.110 10.815 ( 1.797 20.629 5.614) 21.454 11.554 ( -1.536 1.213 -2.912) 3.509 12.159 ( -10.499 -5.526 1.239) 11.929 15.474 ( 8.116 -11.856 -0.027) 14.368======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.387 ( -0.000 2.874 9.917) 10.325 2.411 ( -0.000 21.507 5.594) 22.223 4.064 ( -0.000 33.539 -3.597) 33.732 4.147 ( -0.000 6.409 -2.474) 6.870 5.168 ( -0.000 27.748 2.548) 27.865 6.962 ( 0.000 -1.747 -2.685) 3.204 8.756 ( -0.000 17.111 2.071) 17.236 9.647 ( 0.000 -9.662 10.288) 14.113 11.120 ( 0.000 3.572 -20.320) 20.631 11.207 ( 0.000 -4.528 -1.389) 4.737 14.284 ( 0.000 -20.489 14.501) 25.102 15.548 ( 0.000 5.443 -16.300) 17.185======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.448 ( 1.212 3.305 6.063) 7.011 2.735 ( 11.649 19.224 5.139) 23.058 4.163 ( -2.352 12.266 -3.288) 12.915 4.462 ( 10.655 22.822 -1.539) 25.233 5.453 ( 1.861 26.228 1.144) 26.319 6.930 ( -1.183 -0.593 -2.367) 2.712 9.009 ( 9.182 18.077 2.004) 20.374 9.589 ( -1.962 -5.792 8.799) 10.716 10.995 ( -5.437 -1.767 -12.240) 13.509 11.225 ( 4.195 -2.848 -5.607) 7.560 14.106 ( -1.527 -24.386 13.358) 27.847 15.520 ( -3.986 6.627 -14.240) 16.205======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.526 ( 2.711 2.526 3.019) 4.780 3.169 ( 16.432 18.003 3.836) 24.675 4.260 ( 1.470 11.832 -3.403) 12.399 4.848 ( 12.411 17.669 -0.142) 21.593 5.724 ( 2.305 22.042 -0.366) 22.165 6.902 ( -1.436 0.819 -1.262) 2.080 9.405 ( 15.043 19.154 1.475) 24.400 9.535 ( -2.610 -1.364 6.132) 6.803 10.862 ( -2.847 -3.660 -9.338) 10.426 11.232 ( 1.635 -1.725 -4.165) 4.796 13.847 ( -4.698 -27.468 10.266) 29.698 15.458 ( -5.877 6.655 -10.027) 13.393======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.601 ( 3.073 1.616 0.601) 3.524 3.629 ( 16.371 18.073 2.570) 24.521 4.408 ( 3.655 11.973 -3.077) 12.891 5.196 ( 11.877 12.101 0.175) 16.957 5.942 ( 2.283 16.003 -0.840) 16.187 6.891 ( -1.263 1.715 0.119) 2.133 9.491 ( -1.715 0.866 1.429) 2.394 9.892 ( 16.314 21.459 3.279) 27.155 10.766 ( -0.731 -4.358 -7.894) 9.047 11.240 ( 1.215 1.932 -2.232) 3.192 13.493 ( -9.248 -27.720 6.200) 29.873 15.394 ( -4.758 3.965 -5.010) 7.966======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.660 ( 2.674 1.017 -1.291) 3.139 4.060 ( 12.484 19.629 1.490) 23.310 4.583 ( 4.981 11.271 -2.064) 12.494 5.461 ( 8.143 8.267 -1.345) 11.682 6.104 ( 2.959 9.190 0.502) 9.667 6.887 ( -1.060 0.801 1.244) 1.820 9.509 ( 2.122 2.548 -1.046) 3.477 10.350 ( 11.207 21.187 5.930) 24.692 10.698 ( -0.526 -1.881 -7.894) 8.132 11.315 ( 4.364 6.152 -1.780) 7.750 13.066 ( -13.251 -24.698 3.019) 28.190 15.341 ( -1.996 -1.258 -1.425) 2.756======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.701 ( 1.961 0.955 -2.683) 3.457 4.407 ( 4.215 21.894 -0.021) 22.296 4.780 ( 7.436 9.554 0.168) 12.108 5.609 ( 2.085 6.570 -3.956) 7.947 6.220 ( 3.394 2.671 1.977) 4.750 6.879 ( 0.182 -2.205 2.596) 3.411 9.608 ( 6.951 3.580 -2.347) 8.163 10.614 ( 0.760 -0.836 1.213) 1.658 10.736 ( 1.747 21.748 0.493) 21.824 11.479 ( 6.405 8.890 -3.066) 11.378 12.625 ( -14.631 -18.965 1.202) 23.983 15.292 ( 1.152 -7.077 0.055) 7.171======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.728 ( 1.184 1.389 -3.531) 3.975 4.600 ( -5.131 20.648 -1.566) 21.333 5.019 ( 8.648 10.543 2.863) 13.934 5.631 ( -3.978 4.865 -6.060) 8.730 6.276 ( 2.380 -2.020 1.485) 3.457 6.874 ( 2.585 -6.006 4.539) 7.960 9.782 ( 10.344 3.836 -3.319) 11.520 10.562 ( -5.552 1.794 -3.642) 6.878 10.999 ( 3.984 18.483 8.201) 20.610 11.608 ( -1.163 6.976 -3.404) 7.848 12.267 ( -10.589 -9.536 -0.421) 14.256 15.249 ( 4.478 -11.194 0.196) 12.058======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.485 ( -0.000 2.048 5.793) 6.145 2.835 ( -0.000 18.966 4.151) 19.415 4.252 ( -0.000 6.123 -2.382) 6.570 4.610 ( -0.000 24.993 -0.490) 24.998 5.690 ( -0.000 25.011 -0.690) 25.020 6.930 ( 0.000 0.457 -2.600) 2.640 9.098 ( -0.000 16.583 1.716) 16.671 9.602 ( -0.000 -1.494 8.543) 8.673 10.986 ( 0.000 -4.618 -13.559) 14.324 11.135 ( 0.000 -1.782 -1.102) 2.095 13.915 ( 0.000 -27.090 11.562) 29.454 15.579 ( 0.000 7.783 -12.341) 14.590======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.529 ( 1.048 1.826 4.610) 5.068 3.113 ( 10.643 16.801 3.474) 20.190 4.317 ( 1.850 7.377 -2.590) 8.035 4.876 ( 5.439 19.082 1.498) 19.899 5.911 ( 0.250 21.126 -2.401) 21.263 6.927 ( -0.672 2.028 -2.257) 3.107 9.350 ( 10.927 15.741 1.153) 19.197 9.609 ( -2.822 2.343 6.449) 7.419 10.853 ( -3.742 -5.373 -8.181) 10.479 11.160 ( 3.444 -0.333 -2.154) 4.076 13.663 ( -2.050 -29.113 8.845) 30.496 15.583 ( -4.168 7.784 -9.249) 12.787======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.583 ( 1.745 1.483 3.511) 4.192 3.509 ( 16.786 14.919 2.661) 22.614 4.442 ( 4.389 9.450 -2.876) 10.809 5.148 ( 7.807 12.491 3.083) 15.049 6.078 ( -0.299 15.752 -3.279) 16.093 6.932 ( -1.105 3.341 -1.707) 3.911 9.582 ( -4.481 5.245 2.405) 7.305 9.770 ( 18.796 15.111 1.295) 24.152 10.731 ( -2.338 -4.782 -4.088) 6.712 11.219 ( 3.093 2.775 -1.558) 4.437 13.350 ( -4.631 -29.412 5.717) 30.319 15.530 ( -7.068 6.060 -5.608) 10.869======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.636 ( 1.790 1.235 2.416) 3.250 3.954 ( 18.789 13.953 2.011) 23.490 4.614 ( 5.000 11.465 -2.881) 12.835 5.388 ( 8.449 6.793 3.516) 11.397 6.182 ( -0.719 10.119 -2.676) 10.491 6.933 ( -2.158 2.944 -1.478) 3.938 9.565 ( -3.831 6.225 0.458) 7.324 10.265 ( 21.051 14.833 1.564) 25.799 10.660 ( -0.303 -2.423 -3.354) 4.148 11.313 ( 3.335 6.545 -0.086) 7.346 12.992 ( -7.200 -27.291 3.027) 28.387 15.430 ( -8.103 2.410 -2.514) 8.819======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.681 ( 1.451 1.321 1.215) 2.308 4.399 ( 17.497 13.978 1.566) 22.450 4.793 ( 3.474 12.228 -2.282) 12.915 5.577 ( 7.024 3.597 2.290) 8.218 6.235 ( -0.622 4.591 -1.012) 4.742 6.898 ( -3.350 0.203 -1.257) 3.584 9.596 ( 0.119 7.148 -0.053) 7.150 10.588 ( 2.764 -1.677 4.916) 5.884 10.778 ( 13.455 15.750 -6.397) 21.680 11.459 ( 5.382 8.927 0.768) 10.452 12.624 ( -8.766 -22.318 1.274) 24.012 15.295 ( -7.185 -2.484 -0.676) 7.633======================= 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 0.00e+00 7.23e-05 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.718 ( 1.031 1.786 -0.000) 2.062 4.792 ( 9.861 17.080 -0.000) 19.723 4.943 ( 4.529 7.845 -0.000) 9.058 5.699 ( 2.413 4.180 -0.000) 4.827 6.242 ( -0.518 -0.897 -0.000) 1.036 6.826 ( -2.372 -4.108 -0.000) 4.744 9.707 ( 4.430 7.674 -0.000) 8.861 10.609 ( 0.505 0.875 -0.000) 1.010 11.065 ( 5.640 9.769 -0.000) 11.280 11.657 ( 5.945 10.296 -0.000) 11.889 12.311 ( -7.640 -13.233 -0.000) 15.280 15.152 ( -3.999 -6.926 -0.000) 7.997======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.554 ( -0.000 1.453 5.741) 5.922 3.186 ( -0.000 15.009 2.854) 15.278 4.346 ( -0.000 5.281 -2.196) 5.719 5.021 ( -0.000 17.168 3.140) 17.453 6.086 ( -0.000 17.471 -3.903) 17.901 6.951 ( -0.000 3.726 -2.824) 4.676 9.391 ( -0.000 12.663 0.740) 12.685 9.700 ( -0.000 6.349 5.765) 8.576 10.800 ( 0.000 -6.741 -6.625) 9.451 11.132 ( -0.000 2.056 -0.230) 2.069 13.421 ( 0.000 -30.057 6.434) 30.738 15.668 ( -0.000 7.935 -7.212) 10.723======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.594 ( 0.633 1.368 6.272) 6.451 3.416 ( 10.356 12.588 2.238) 16.453 4.425 ( 4.396 5.666 -2.272) 7.522 5.202 ( 2.478 12.792 4.793) 13.884 6.212 ( -0.614 12.725 -4.607) 13.547 6.979 ( -0.609 5.135 -3.158) 6.059 9.609 ( 12.413 10.746 -0.155) 16.419 9.753 ( -4.329 8.760 3.699) 10.448 10.706 ( -1.593 -5.552 -2.453) 6.276 11.192 ( 3.315 4.072 0.013) 5.251 13.135 ( -1.908 -29.729 3.755) 30.026 15.679 ( -4.843 6.860 -4.667) 9.607======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.641 ( 0.853 1.345 6.086) 6.291 3.767 ( 17.346 10.352 1.732) 20.274 4.585 ( 8.046 7.323 -2.564) 11.178 5.371 ( 3.684 7.757 6.118) 10.544 6.280 ( -1.401 8.235 -4.224) 9.360 6.998 ( -1.940 4.953 -3.679) 6.468 9.745 ( -7.327 10.140 1.746) 12.632 10.003 ( 22.201 8.930 -0.902) 23.947 10.639 ( -0.766 -3.151 0.086) 3.244 11.313 ( 4.641 6.563 1.092) 8.112 12.821 ( -3.515 -27.667 1.482) 27.929 15.606 ( -9.066 4.555 -2.370) 10.419======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.687 ( 0.758 1.431 5.104) 5.355 4.182 ( 20.503 8.373 1.526) 22.199 4.802 ( 8.687 9.888 -2.916) 13.480 5.513 ( 4.636 2.847 6.734) 8.657 6.299 ( -2.064 4.374 -2.959) 5.670 6.972 ( -4.363 2.753 -4.358) 6.753 9.735 ( -5.818 10.502 2.078) 12.185 10.446 ( 18.355 1.367 2.791) 18.617 10.658 ( 7.149 6.588 -5.027) 10.944 11.464 ( 4.530 6.975 2.777) 8.769 12.512 ( -4.220 -23.147 0.199) 23.530 15.454 ( -11.771 1.367 -0.857) 11.882======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.628 ( -0.000 1.371 8.426) 8.537 3.442 ( -0.000 10.087 1.688) 10.228 4.422 ( -0.000 4.033 -1.964) 4.485 5.318 ( -0.000 10.791 6.219) 12.455 6.305 ( -0.000 9.061 -5.152) 10.424 7.027 ( -0.000 6.122 -4.222) 7.437 9.582 ( -0.000 7.143 -0.570) 7.166 9.911 ( -0.000 12.153 3.187) 12.564 10.662 ( 0.000 -5.024 -0.237) 5.030 11.204 ( -0.000 4.706 0.998) 4.811 12.878 ( 0.000 -28.573 1.225) 28.599 15.773 ( -0.000 6.378 -3.023) 7.058======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.673 ( 0.115 1.390 9.329) 9.433 3.621 ( 10.446 7.476 1.251) 12.907 4.503 ( 6.143 3.946 -1.983) 7.566 5.438 ( 0.723 7.667 7.565) 10.796 6.352 ( -0.918 5.902 -4.955) 7.761 7.060 ( -1.106 5.490 -5.192) 7.637 9.754 ( 13.871 4.942 -1.337) 14.785 9.987 ( -6.484 13.222 2.277) 14.901 10.621 ( -0.284 -3.178 2.406) 3.996 11.296 ( 4.481 5.491 1.718) 7.293 12.604 ( -1.409 -25.766 -1.089) 25.828 15.773 ( -5.689 4.904 -1.426) 7.645======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.717 ( -0.024 1.302 8.704) 8.801 3.925 ( 17.877 5.029 1.109) 18.604 4.685 ( 11.293 4.746 -2.294) 12.462 5.535 ( 0.646 4.190 8.735) 9.710 6.357 ( -1.852 3.351 -4.101) 5.610 7.049 ( -3.272 3.250 -6.284) 7.795 9.982 ( -8.144 12.013 3.166) 14.854 10.104 ( 21.759 2.621 -1.357) 21.959 10.621 ( 1.883 0.928 1.547) 2.608 11.448 ( 5.676 5.230 2.852) 8.228 12.343 ( -1.837 -20.844 -2.420) 21.064 15.669 ( -10.890 2.883 -0.368) 11.271======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.721 ( -0.000 1.322 11.378) 11.455 3.592 ( -0.000 4.658 0.808) 4.728 4.473 ( -0.000 2.523 -1.747) 3.069 5.528 ( -0.000 6.018 8.846) 10.699 6.390 ( -0.000 4.004 -5.156) 6.529 7.099 ( -0.000 4.289 -6.353) 7.665 9.664 ( -0.000 2.371 -1.609) 2.865 10.187 ( -0.000 13.586 1.694) 13.691 10.612 ( -0.000 -1.392 5.628) 5.798 11.304 ( -0.000 4.077 1.982) 4.533 12.377 ( 0.000 -21.649 -3.808) 21.982 15.863 ( -0.000 4.055 -0.393) 4.074======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.768 ( -0.506 0.946 11.475) 11.525 3.718 ( 10.739 2.013 0.667) 10.946 4.548 ( 7.224 2.038 -1.741) 7.706 5.606 ( -0.290 3.751 10.032) 10.715 6.395 ( -1.070 2.475 -4.832) 5.534 7.092 ( -1.669 1.738 -7.558) 7.933 9.790 ( 13.862 0.267 -1.985) 14.006 10.245 ( -6.046 8.979 2.563) 11.124 10.635 ( -0.982 3.270 6.528) 7.367 11.400 ( 5.844 3.443 2.729) 7.311 12.173 ( -0.821 -15.479 -5.796) 16.549 15.843 ( -6.319 2.688 0.249) 6.872======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.822 ( -0.000 0.280 12.653) 12.656 3.632 ( 0.000 -0.908 0.398) 0.991 4.494 ( 0.000 0.857 -1.611) 1.825 5.673 ( -0.000 2.102 11.226) 11.421 6.407 ( 0.000 1.681 -5.075) 5.346 7.083 ( 0.000 -1.020 -8.747) 8.807 9.660 ( 0.000 -1.295 -2.060) 2.433 10.317 ( 0.000 -4.099 2.177) 4.641 10.781 ( -0.000 14.864 10.446) 18.168 11.369 ( -0.000 0.837 2.389) 2.531 12.044 ( 0.000 -7.614 -8.595) 11.482 15.919 ( -0.000 1.772 0.531) 1.850======================= 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 0.00e+00 7.23e-05 Number of triplets: 570Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.056 ( -0.000 -0.000 15.950) 15.950 1.056 ( -0.000 -0.000 15.950) 15.950 2.013 ( -0.000 -0.000 31.838) 31.838 3.837 ( 0.000 0.000 -2.516) 2.516 3.837 ( 0.000 0.000 -2.516) 2.516 8.010 ( -0.000 -0.000 1.026) 1.026 8.010 ( -0.000 -0.000 1.026) 1.026 8.090 ( 0.000 0.000 -11.908) 11.908 11.510 ( 0.000 0.000 -0.773) 0.773 11.510 ( 0.000 0.000 -0.773) 0.773 14.818 ( -0.000 -0.000 4.790) 4.790 15.178 ( 0.000 0.000 -2.735) 2.735======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.332 ( 14.933 8.622 11.437) 20.691 1.415 ( 25.885 14.945 13.686) 32.874 2.167 ( 5.971 3.447 25.630) 26.541 3.827 ( 0.943 0.545 -2.302) 2.546 3.959 ( 10.345 5.973 -2.026) 12.116 7.406 ( -18.064 -10.429 0.434) 20.863 8.078 ( 5.126 2.959 0.936) 5.992 9.053 ( 48.453 27.974 -16.733) 58.397 11.270 ( -18.520 -10.693 -1.640) 21.448 11.470 ( -2.815 -1.625 -0.697) 3.325 14.800 ( -3.236 -1.868 6.160) 7.205 15.334 ( 11.912 6.878 -8.643) 16.245======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.745 ( 18.861 10.889 6.534) 22.738 1.967 ( 14.298 8.255 17.826) 24.297 2.577 ( 28.480 16.443 8.906) 34.070 3.863 ( 2.882 1.664 -1.703) 3.738 4.260 ( 16.725 9.656 -0.546) 19.321 7.135 ( -8.225 -4.749 -0.940) 9.544 8.240 ( 9.213 5.319 0.895) 10.676 9.886 ( 25.350 14.636 -7.454) 30.206 10.880 ( -8.868 -5.120 -12.298) 16.003 11.386 ( -4.432 -2.559 -0.625) 5.156 14.730 ( -4.914 -2.837 8.949) 10.597 15.494 ( 4.276 2.469 -14.302) 15.130======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.186 ( 19.230 11.102 2.786) 22.379 2.236 ( 7.826 4.518 13.580) 16.312 3.359 ( 37.122 21.433 0.723) 42.871 3.941 ( 4.423 2.554 -0.837) 5.176 4.672 ( 19.819 11.443 1.291) 22.922 6.987 ( -5.177 -2.989 -1.764) 6.233 8.486 ( 12.506 7.220 0.956) 14.472 9.981 ( -10.375 -5.990 8.207) 14.522 10.964 ( 16.045 9.264 -25.000) 31.117 11.280 ( -4.714 -2.722 -0.623) 5.479 14.659 ( -4.978 -2.874 13.419) 14.599 15.416 ( -5.465 -3.155 -16.999) 18.133======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.445 ( 8.105 4.679 5.799) 11.009 2.602 ( 17.670 10.202 0.283) 20.406 4.048 ( 5.289 3.053 0.083) 6.107 4.145 ( 33.309 19.231 -3.209) 38.595 5.125 ( 20.033 11.566 3.044) 23.332 6.885 ( -3.616 -2.088 -0.940) 4.280 8.789 ( 14.196 8.196 1.159) 16.433 9.770 ( -8.603 -4.967 6.654) 11.956 11.151 ( 6.272 3.621 -21.388) 22.581 11.185 ( -3.369 -1.945 -0.784) 3.969 14.535 ( -13.423 -7.750 14.062) 20.928 15.245 ( -1.629 -0.940 -14.307) 14.430======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.626 ( 7.406 4.276 -1.188) 8.634 2.964 ( 15.025 8.675 -1.019) 17.379 4.169 ( 5.357 3.093 0.845) 6.243 4.785 ( 25.677 14.825 -6.658) 30.387 5.561 ( 17.871 10.318 4.575) 21.136 6.827 ( -1.555 -0.898 1.369) 2.258 9.104 ( 13.411 7.743 1.482) 15.557 9.679 ( -1.214 -0.701 4.464) 4.679 11.107 ( -3.267 -1.886 -17.844) 18.238 11.136 ( -0.549 -0.317 -1.157) 1.320 14.111 ( -26.168 -15.108 5.445) 30.703 15.311 ( 8.616 4.975 -3.153) 10.437======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.757 ( 5.519 3.187 -6.669) 9.225 3.257 ( 11.746 6.781 -1.336) 13.629 4.286 ( 4.726 2.729 1.356) 5.623 5.230 ( 17.171 9.913 -9.453) 21.965 5.930 ( 13.597 7.850 5.673) 16.694 6.834 ( 1.420 0.820 4.293) 4.595 9.373 ( 10.106 5.835 1.804) 11.808 9.743 ( 5.819 3.360 2.255) 7.087 10.936 ( -6.241 -3.603 -14.046) 15.786 11.157 ( 2.764 1.596 -1.658) 3.597 13.493 ( -29.610 -17.096 2.383) 34.274 15.527 ( 10.023 5.787 1.101) 11.625======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.826 ( 3.402 1.964 -10.389) 11.107 3.472 ( 7.990 4.613 -1.079) 9.288 4.384 ( 3.624 2.092 1.632) 4.491 5.495 ( 10.263 5.925 -10.850) 16.067 6.190 ( 8.032 4.637 5.916) 11.001 6.915 ( 3.880 2.240 6.742) 8.095 9.555 ( 5.741 3.315 1.976) 6.918 9.938 ( 11.011 6.357 0.077) 12.715 10.772 ( -4.359 -2.517 -10.355) 11.514 11.237 ( 4.613 2.663 -2.077) 5.717 12.860 ( -27.610 -15.941 3.005) 32.023 15.729 ( 7.542 4.354 1.158) 8.785======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.843 ( 1.687 0.974 -12.330) 12.483 3.600 ( 3.792 2.189 -0.674) 4.430 4.455 ( 2.254 1.302 1.711) 3.115 5.630 ( 5.580 3.222 -11.164) 12.890 6.335 ( 3.685 2.127 5.569) 7.009 7.025 ( 3.125 1.804 8.174) 8.935 9.645 ( 1.933 1.116 2.013) 3.006 10.202 ( 11.739 6.778 -1.378) 13.625 10.687 ( -0.065 -0.038 -8.846) 8.846 11.326 ( 3.670 2.119 -2.307) 4.825 12.330 ( -20.446 -11.804 5.442) 24.228 15.860 ( 4.129 2.384 0.104) 4.769======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.216 ( -0.000 10.284 13.536) 17.000 1.588 ( -0.000 33.197 11.746) 35.213 2.245 ( -0.000 4.623 23.172) 23.629 3.864 ( -0.000 3.333 -2.558) 4.202 3.910 ( -0.000 10.330 -1.484) 10.436 7.413 ( 0.000 -20.601 -0.271) 20.602 8.054 ( -0.000 4.647 1.221) 4.805 9.007 ( -0.000 53.895 -14.410) 55.789 11.271 ( 0.000 -19.465 -2.219) 19.591 11.485 ( 0.000 -2.412 -0.875) 2.566 14.816 ( -0.000 -4.110 6.320) 7.539 15.301 ( -0.000 12.085 -7.916) 14.447======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.552 ( 17.626 12.637 9.253) 23.580 2.000 ( 6.383 22.509 16.551) 28.659 2.462 ( 10.887 17.780 9.461) 22.895 3.878 ( -0.533 5.386 -1.862) 5.724 4.134 ( 10.858 13.717 -0.506) 17.502 7.191 ( -6.123 -9.567 -0.882) 11.393 8.174 ( 6.267 7.239 1.124) 9.640 9.639 ( 21.486 33.243 -9.997) 40.825 10.962 ( -11.433 -13.889 -7.773) 19.596 11.426 ( -3.028 -2.865 -0.818) 4.248 14.774 ( -2.006 -5.648 8.283) 10.224 15.420 ( 3.848 7.207 -12.219) 14.699======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.008 ( 17.841 13.898 4.507) 23.060 2.258 ( 3.616 7.844 16.197) 18.356 3.050 ( 26.840 28.183 -0.449) 38.921 3.945 ( 1.731 7.699 -0.836) 7.936 4.501 ( 15.836 15.329 0.941) 22.060 7.031 ( -4.844 -4.574 -1.640) 6.861 8.396 ( 9.482 10.627 1.016) 14.278 10.017 ( 2.219 -4.734 7.485) 9.130 10.790 ( 4.726 9.804 -22.583) 25.068 11.338 ( -4.187 -1.854 -1.028) 4.693 14.714 ( -2.146 -6.196 11.856) 13.548 15.417 ( -3.053 -0.069 -15.730) 16.024======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.371 ( 9.389 5.793 5.264) 12.224 2.499 ( 11.010 15.668 4.575) 19.689 3.746 ( 27.033 16.597 -2.947) 31.858 4.099 ( 5.997 16.001 -0.134) 17.088 4.938 ( 18.112 14.831 2.396) 23.532 6.922 ( -3.740 -2.534 -1.208) 4.676 8.691 ( 11.254 13.745 1.095) 17.799 9.854 ( -7.790 -11.666 7.856) 16.078 10.972 ( 9.499 5.606 -19.435) 22.347 11.255 ( -4.330 0.913 -2.317) 4.995 14.644 ( -4.827 -10.104 15.066) 18.772 15.255 ( -6.135 -0.540 -16.515) 17.626======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.547 ( 6.628 3.653 1.036) 7.639 2.867 ( 11.652 17.151 -0.251) 20.736 4.096 ( 9.062 4.088 -0.196) 9.944 4.550 ( 20.547 22.830 -4.570) 31.053 5.384 ( 17.951 12.805 3.778) 22.372 6.853 ( -2.225 -1.057 0.558) 2.526 9.025 ( 10.841 15.743 1.359) 19.163 9.691 ( -2.839 -6.862 4.852) 8.871 11.025 ( 2.807 -2.022 -14.875) 15.272 11.187 ( -4.318 1.341 -2.923) 5.384 14.351 ( -18.914 -18.000 6.863) 26.997 15.223 ( 4.992 4.748 -5.677) 8.927======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.673 ( 5.502 2.592 -4.363) 7.485 3.195 ( 8.764 16.140 -1.334) 18.414 4.255 ( 5.133 5.532 1.087) 7.624 5.032 ( 16.956 15.361 -7.703) 24.142 5.789 ( 15.514 9.766 5.081) 19.022 6.838 ( 0.246 0.467 2.999) 3.045 9.341 ( 7.742 16.101 1.688) 17.945 9.670 ( 4.109 -2.540 2.405) 5.396 10.937 ( -3.592 -4.237 -13.458) 14.559 11.153 ( -0.252 2.572 -1.082) 2.801 13.792 ( -26.344 -19.576 1.523) 32.857 15.402 ( 10.367 4.021 1.137) 11.178======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.748 ( 3.882 1.391 -8.357) 9.319 3.454 ( 5.129 14.603 -1.354) 15.536 4.384 ( 2.805 6.650 1.608) 7.394 5.350 ( 11.121 9.031 -9.440) 17.157 6.104 ( 10.782 6.059 5.762) 13.644 6.892 ( 3.278 1.657 5.225) 6.387 9.587 ( 2.744 15.333 1.965) 15.700 9.787 ( 10.416 0.330 0.137) 10.422 10.780 ( -4.586 -4.213 -9.227) 11.132 11.213 ( 2.849 5.520 -1.978) 6.519 13.162 ( -27.225 -18.185 1.198) 32.762 15.609 ( 10.189 1.120 2.005) 10.444======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.775 ( 2.341 0.532 -10.706) 10.971 3.632 ( 0.962 12.634 -0.989) 12.709 4.484 ( 0.460 7.253 1.799) 7.487 5.527 ( 6.697 4.637 -9.957) 12.865 6.299 ( 5.659 2.563 5.470) 8.277 6.999 ( 4.632 1.464 6.800) 8.357 9.736 ( -2.633 14.188 2.078) 14.579 10.008 ( 14.841 1.482 -1.801) 15.023 10.666 ( -2.021 -2.404 -6.232) 6.979 11.317 ( 2.652 7.073 -2.485) 7.952 12.583 ( -23.225 -14.741 2.958) 27.667 15.761 ( 7.898 -1.913 0.883) 8.175======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.581 ( -0.000 18.329 9.995) 20.877 2.202 ( -0.000 11.402 20.695) 23.628 2.613 ( -0.000 31.749 -0.224) 31.750 3.927 ( -0.000 5.017 -2.657) 5.677 4.204 ( -0.000 19.906 1.183) 19.941 7.142 ( 0.000 -8.953 -1.371) 9.057 8.205 ( -0.000 10.058 1.586) 10.182 9.761 ( -0.000 26.922 -3.163) 27.107 10.902 ( 0.000 -8.992 -13.155) 15.935 11.409 ( 0.000 -4.648 -1.076) 4.771 14.754 ( 0.000 -7.612 9.370) 12.072 15.423 ( 0.000 6.914 -12.781) 14.531======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.916 ( 12.886 18.579 6.994) 23.667 2.336 ( 1.452 3.537 17.071) 17.494 3.047 ( 10.623 37.395 -3.610) 39.042 3.987 ( 1.988 7.231 -1.957) 7.750 4.481 ( 7.634 21.590 1.956) 22.983 7.041 ( -2.686 -5.315 -1.887) 6.247 8.377 ( 6.537 12.791 1.560) 14.449 9.952 ( 3.011 -2.742 9.006) 9.884 10.800 ( -1.982 9.631 -22.131) 24.217 11.351 ( -0.996 -3.869 -1.441) 4.247 14.702 ( -0.697 -9.174 11.982) 15.106 15.416 ( -1.734 2.531 -15.269) 15.575======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.306 ( 9.896 11.892 4.194) 16.029 2.501 ( 8.368 10.566 9.625) 16.562 3.579 ( 15.384 26.930 -4.181) 31.295 4.145 ( 6.537 13.936 -0.828) 15.415 4.857 ( 11.889 20.383 2.340) 23.713 6.948 ( -2.982 -2.869 -1.678) 4.465 8.664 ( 10.309 16.348 1.470) 19.383 9.858 ( -4.632 -14.472 9.589) 17.968 10.863 ( 3.659 9.180 -18.577) 21.042 11.302 ( -1.554 -0.745 -2.727) 3.226 14.631 ( -1.494 -13.034 14.859) 19.822 15.306 ( -5.967 1.395 -16.863) 17.942======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.490 ( 5.084 4.030 2.290) 6.880 2.866 ( 11.798 19.649 2.547) 23.060 3.972 ( 11.378 11.200 -2.562) 16.169 4.494 ( 13.500 22.998 -2.162) 26.755 5.264 ( 14.016 17.156 2.774) 22.326 6.880 ( -2.251 -1.172 -0.371) 2.565 9.026 ( 11.133 19.975 1.574) 22.922 9.681 ( -3.958 -10.356 5.597) 12.420 10.910 ( 3.075 -0.070 -13.042) 13.400 11.253 ( -3.163 0.232 -2.988) 4.358 14.433 ( -9.967 -20.571 10.268) 25.059 15.214 ( -1.265 5.328 -10.206) 11.583======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.602 ( 4.544 2.555 -1.886) 5.543 3.238 ( 8.577 21.158 -0.088) 22.830 4.208 ( 8.004 7.685 -0.272) 11.099 4.928 ( 13.499 19.714 -4.969) 24.404 5.657 ( 14.302 12.741 3.702) 19.509 6.853 ( -0.632 0.242 1.617) 1.753 9.404 ( 8.586 21.964 1.615) 23.638 9.592 ( 1.178 -5.287 2.849) 6.121 10.880 ( 0.265 -3.631 -11.489) 12.052 11.196 ( -2.501 1.184 -1.064) 2.965 13.986 ( -19.980 -22.539 2.695) 30.241 15.295 ( 6.388 4.005 -1.081) 7.617======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.676 ( 3.484 1.456 -5.357) 6.554 3.549 ( 4.559 21.151 -1.081) 21.663 4.399 ( 5.477 8.629 1.125) 10.282 5.255 ( 9.290 12.988 -7.219) 17.524 5.995 ( 12.227 8.020 4.797) 15.390 6.877 ( 1.796 1.033 3.528) 4.091 9.613 ( 7.332 -1.642 -0.722) 7.548 9.749 ( 3.387 22.393 3.279) 22.884 10.776 ( -3.274 -4.631 -8.291) 10.045 11.218 ( 2.127 5.003 -1.329) 5.597 13.407 ( -24.070 -20.793 0.303) 31.809 15.451 ( 9.211 -0.382 1.879) 9.408======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.711 ( 2.240 0.792 -7.649) 8.010 3.783 ( 0.124 20.029 -1.229) 20.067 4.562 ( 2.311 10.472 1.946) 10.899 5.445 ( 5.617 7.109 -8.355) 12.325 6.233 ( 7.707 3.511 4.868) 9.769 6.953 ( 4.325 0.650 5.147) 6.754 9.764 ( 12.836 -1.145 -2.020) 13.044 9.985 ( -3.174 23.516 2.652) 23.877 10.661 ( -2.605 -3.179 -4.196) 5.873 11.331 ( 3.811 7.925 -2.480) 9.136 12.825 ( -23.287 -17.418 0.728) 29.090 15.586 ( 9.094 -4.770 1.547) 10.384======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.022 ( -0.000 21.012 7.421) 22.284 2.390 ( -0.000 0.775 13.410) 13.433 3.337 ( -0.000 40.214 -3.616) 40.377 4.017 ( -0.000 6.107 -2.720) 6.685 4.661 ( -0.000 25.628 2.590) 25.759 7.009 ( 0.000 -4.311 -2.278) 4.876 8.455 ( -0.000 14.618 1.836) 14.733 9.911 ( 0.000 -10.418 12.205) 16.047 10.859 ( 0.000 13.998 -22.970) 26.899 11.302 ( 0.000 -5.512 -1.235) 5.649 14.648 ( 0.000 -12.136 13.435) 18.105 15.409 ( 0.000 3.137 -16.150) 16.451======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.317 ( 6.564 16.782 5.212) 18.759 2.480 ( 6.255 5.002 9.291) 12.267 3.716 ( 2.471 32.696 -3.382) 32.963 4.135 ( 7.507 10.435 -1.925) 12.998 4.957 ( 4.292 25.642 2.122) 26.085 6.952 ( -1.537 -2.658 -2.281) 3.825 8.675 ( 7.540 16.839 1.727) 18.531 9.813 ( -2.359 -13.500 10.759) 17.423 10.889 ( -2.137 9.269 -17.238) 19.688 11.267 ( 1.867 -3.425 -2.458) 4.611 14.555 ( -0.666 -16.696 14.739) 22.281 15.357 ( -3.569 4.121 -16.751) 17.616======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.475 ( 2.672 4.247 3.320) 6.017 2.834 ( 15.021 17.784 4.704) 23.749 3.979 ( 2.955 17.308 -3.152) 17.839 4.471 ( 13.776 20.112 -0.934) 24.396 5.290 ( 6.802 22.723 1.294) 23.754 6.900 ( -1.685 -1.056 -1.453) 2.463 9.027 ( 12.439 19.884 1.494) 23.502 9.670 ( -4.112 -9.973 6.733) 12.716 10.860 ( -1.225 1.214 -10.462) 10.603 11.258 ( 0.550 -1.854 -3.195) 3.735 14.376 ( -4.448 -23.047 12.078) 26.398 15.284 ( -4.301 6.797 -12.864) 15.172======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.561 ( 3.054 2.688 0.459) 4.095 3.267 ( 13.214 20.174 1.925) 24.193 4.174 ( 5.551 11.492 -1.848) 12.895 4.892 ( 13.105 19.254 -1.437) 23.335 5.616 ( 8.448 17.553 1.088) 19.510 6.872 ( -0.890 0.314 0.020) 0.944 9.449 ( 11.526 20.135 0.783) 23.214 9.562 ( -0.752 -2.622 3.826) 4.699 10.810 ( -0.200 -2.690 -7.595) 8.060 11.227 ( -1.128 -0.794 -1.748) 2.226 14.032 ( -11.975 -25.917 5.538) 29.082 15.279 ( -0.154 5.962 -5.062) 7.823======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.628 ( 2.608 1.804 -2.037) 3.769 3.658 ( 8.683 22.130 0.034) 23.773 4.377 ( 7.031 9.796 -0.170) 12.059 5.232 ( 8.511 14.807 -3.276) 17.391 5.910 ( 9.554 11.276 2.249) 14.949 6.876 ( 0.438 0.822 1.494) 1.760 9.507 ( 2.279 -2.321 -0.099) 3.254 9.899 ( 9.148 25.407 2.807) 27.149 10.744 ( -1.250 -4.055 -6.065) 7.402 11.226 ( 1.161 2.797 -0.770) 3.125 13.547 ( -17.949 -24.279 1.124) 30.215 15.341 ( 3.903 0.996 -0.018) 4.028======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.668 ( 1.729 1.333 -3.922) 4.489 3.970 ( 2.895 23.037 -1.079) 23.243 4.591 ( 6.853 10.123 1.535) 12.320 5.433 ( 3.346 10.096 -5.334) 11.899 6.152 ( 8.345 5.268 3.365) 10.427 6.911 ( 2.462 -0.155 2.848) 3.768 9.574 ( 7.732 -0.543 -1.315) 7.862 10.258 ( 2.183 26.745 2.896) 26.990 10.659 ( -2.251 -3.306 -3.072) 5.043 11.321 ( 4.794 6.705 -1.721) 8.420 13.009 ( -20.186 -20.538 -0.329) 28.799 15.410 ( 6.073 -4.819 1.349) 7.869======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.469 ( -0.000 20.653 5.600) 21.399 2.472 ( -0.000 1.201 6.680) 6.787 4.039 ( -0.000 34.155 -1.163) 34.175 4.121 ( -0.000 6.519 -2.666) 7.043 5.186 ( -0.000 26.933 1.051) 26.954 6.934 ( 0.000 -1.844 -2.664) 3.240 8.776 ( -0.000 17.119 1.696) 17.203 9.752 ( 0.000 -10.759 9.993) 14.684 10.940 ( 0.000 5.761 -14.713) 15.801 11.194 ( 0.000 -4.525 -1.142) 4.667 14.430 ( 0.000 -21.215 14.120) 25.484 15.384 ( 0.000 6.744 -15.927) 17.296======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.501 ( 0.175 2.897 4.291) 5.181 2.786 ( 11.544 18.162 4.761) 22.041 4.133 ( -2.717 12.417 -2.552) 12.964 4.456 ( 10.851 23.634 0.450) 26.009 5.456 ( 1.922 25.017 -0.470) 25.095 6.906 ( -0.780 -0.555 -2.425) 2.608 9.025 ( 9.141 17.994 1.294) 20.225 9.673 ( -2.931 -6.688 7.207) 10.259 10.885 ( -3.842 0.002 -8.287) 9.134 11.189 ( 3.164 -2.924 -2.223) 4.848 14.233 ( -1.986 -26.020 11.569) 28.545 15.381 ( -3.198 8.758 -12.881) 15.901======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.555 ( 1.467 2.594 2.679) 4.007 3.205 ( 15.887 17.567 3.109) 23.889 4.231 ( 1.462 11.774 -2.387) 12.102 4.857 ( 11.959 18.719 1.785) 22.285 5.713 ( 2.721 20.755 -1.705) 21.002 6.888 ( -0.665 0.844 -1.598) 1.926 9.415 ( 14.578 18.424 0.454) 23.498 9.588 ( -3.281 -1.531 3.859) 5.292 10.794 ( -2.811 -2.627 -3.497) 5.199 11.202 ( 1.857 -1.409 -1.872) 2.990 13.936 ( -5.971 -28.808 7.052) 30.254 15.367 ( -4.056 8.316 -7.627) 11.990======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.611 ( 1.573 2.121 1.315) 2.950 3.650 ( 15.710 18.183 1.492) 24.076 4.384 ( 4.133 11.554 -1.577) 12.372 5.206 ( 10.357 13.387 1.743) 17.015 5.930 ( 3.531 14.904 -1.604) 15.400 6.888 ( -0.317 1.447 -0.725) 1.649 9.502 ( -2.691 0.461 0.800) 2.845 9.912 ( 17.173 21.260 0.422) 27.333 10.719 ( -1.898 -3.546 -1.187) 4.193 11.225 ( 1.559 2.137 -0.658) 2.726 13.538 ( -10.652 -28.057 2.697) 30.132 15.355 ( -2.853 4.425 -2.712) 5.923======================= 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 0.00e+00 7.23e-05 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.654 ( 1.053 1.823 -0.000) 2.105 4.068 ( 11.637 20.155 -0.000) 23.274 4.573 ( 6.081 10.533 -0.000) 12.163 5.454 ( 5.608 9.714 -0.000) 11.217 6.107 ( 4.748 8.224 -0.000) 9.496 6.894 ( 0.123 0.212 -0.000) 0.245 9.503 ( 1.376 2.384 -0.000) 2.753 10.385 ( 13.113 22.712 -0.000) 26.225 10.654 ( -1.715 -2.971 -0.000) 3.431 11.306 ( 3.657 6.334 -0.000) 7.314 13.081 ( -14.104 -24.428 -0.000) 28.208 15.334 ( -0.885 -1.533 -0.000) 1.770======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.539 ( -0.000 1.938 4.767) 5.146 2.877 ( -0.000 18.245 4.084) 18.696 4.227 ( -0.000 6.259 -2.479) 6.732 4.620 ( -0.000 25.933 2.505) 26.053 5.675 ( -0.000 23.675 -2.222) 23.779 6.902 ( 0.000 0.499 -2.930) 2.972 9.112 ( -0.000 16.394 1.002) 16.424 9.679 ( -0.000 -2.321 6.179) 6.600 10.885 ( 0.000 -3.298 -5.953) 6.806 11.126 ( 0.000 -1.588 -0.575) 1.689 14.022 ( 0.000 -29.049 9.408) 30.534 15.460 ( -0.000 10.120 -10.927) 14.893======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.577 ( 0.327 2.362 4.823) 5.381 3.147 ( 10.501 16.176 3.183) 19.546 4.292 ( 1.688 7.464 -2.380) 8.014 4.906 ( 5.403 20.000 4.225) 21.143 5.880 ( 0.382 20.006 -3.658) 20.342 6.901 ( -0.273 1.959 -2.894) 3.506 9.357 ( 10.700 15.414 0.214) 18.765 9.663 ( -3.610 1.674 3.774) 5.485 10.804 ( -2.580 -4.620 -1.190) 5.424 11.147 ( 2.763 0.225 -0.680) 2.854 13.740 ( -2.462 -30.932 6.194) 31.642 15.497 ( -3.463 9.834 -7.591) 12.897======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.625 ( 0.570 2.342 4.642) 5.231 3.533 ( 16.524 14.594 2.066) 22.143 4.416 ( 4.360 9.344 -2.160) 10.535 5.191 ( 7.329 13.443 5.357) 16.221 6.040 ( 0.241 15.124 -4.168) 15.689 6.910 ( -0.498 2.901 -2.760) 4.035 9.602 ( -4.878 5.201 1.512) 7.289 9.772 ( 18.248 14.383 -1.060) 23.259 10.721 ( -2.243 -4.429 2.247) 5.449 11.211 ( 3.107 3.517 0.043) 4.693 13.394 ( -5.234 -30.613 2.875) 31.190 15.481 ( -6.019 7.324 -4.007) 10.293======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.618 ( -0.000 2.402 6.665) 7.085 3.214 ( -0.000 14.381 2.688) 14.630 4.324 ( -0.000 5.420 -2.208) 5.853 5.068 ( -0.000 17.896 6.003) 18.876 6.041 ( -0.000 16.732 -4.925) 17.442 6.917 ( -0.000 3.501 -3.714) 5.104 9.394 ( -0.000 12.309 -0.182) 12.311 9.745 ( -0.000 5.814 2.902) 6.498 10.771 ( 0.000 -6.013 1.011) 6.098 11.134 ( -0.000 2.431 0.502) 2.482 13.474 ( 0.000 -31.972 3.938) 32.214 15.601 ( -0.000 9.932 -5.852) 11.528======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.666 ( -0.083 2.492 7.740) 8.132 3.437 ( 10.283 12.093 1.940) 15.991 4.403 ( 4.269 5.763 -2.093) 7.471 5.264 ( 2.427 13.411 7.416) 15.516 6.161 ( -0.375 12.512 -5.382) 13.626 6.941 ( -0.376 4.594 -4.344) 6.334 9.603 ( 12.172 10.374 -1.098) 16.031 9.780 ( -4.874 8.560 1.582) 9.977 10.713 ( -1.128 -5.278 3.794) 6.597 11.197 ( 3.186 4.663 1.098) 5.753 13.161 ( -1.995 -31.409 1.357) 31.501 15.637 ( -4.489 8.418 -3.529) 10.172======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.722 ( -0.000 2.531 10.005) 10.320 3.459 ( -0.000 9.599 1.486) 9.714 4.402 ( -0.000 4.152 -1.928) 4.578 5.395 ( -0.000 11.276 8.823) 14.317 6.250 ( -0.000 9.168 -5.781) 10.839 6.977 ( -0.000 5.484 -5.580) 7.824 9.572 ( -0.000 6.827 -1.373) 6.963 9.933 ( -0.000 12.092 1.228) 12.154 10.690 ( 0.000 -4.530 5.677) 7.263 11.218 ( -0.000 5.054 1.654) 5.318 12.879 ( 0.000 -30.393 -0.902) 30.406 15.746 ( -0.000 7.776 -2.192) 8.079======================= 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 0.00e+00 7.23e-05 Number of triplets: 580Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.201 ( -0.000 -0.000 12.673) 12.673 1.201 ( -0.000 -0.000 12.673) 12.673 2.306 ( -0.000 -0.000 25.894) 25.894 3.812 ( 0.000 0.000 -2.338) 2.338 3.812 ( 0.000 0.000 -2.338) 2.338 7.973 ( 0.000 0.000 -11.007) 11.007 8.020 ( -0.000 -0.000 0.908) 0.908 8.020 ( -0.000 -0.000 0.908) 0.908 11.502 ( 0.000 0.000 -0.684) 0.684 11.502 ( 0.000 0.000 -0.684) 0.684 14.868 ( -0.000 -0.000 5.057) 5.057 15.148 ( 0.000 0.000 -3.274) 3.274======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.432 ( 13.084 7.554 8.148) 17.165 1.544 ( 25.875 14.939 11.693) 32.084 2.400 ( 2.017 1.164 20.093) 20.227 3.807 ( 1.136 0.656 -1.700) 2.147 3.939 ( 10.819 6.246 -1.842) 12.627 7.401 ( -17.619 -10.172 -1.236) 20.382 8.086 ( 5.096 2.942 0.606) 5.916 8.914 ( 46.204 26.676 -11.078) 54.490 11.256 ( -19.726 -11.389 -1.233) 22.811 11.465 ( -2.782 -1.606 -0.472) 3.247 14.864 ( -2.299 -1.327 6.530) 7.049 15.252 ( 8.608 4.970 -7.677) 12.559======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.796 ( 17.377 10.033 3.500) 20.369 2.139 ( 16.202 9.354 16.102) 24.684 2.649 ( 22.026 12.717 4.954) 25.912 3.851 ( 3.153 1.820 -0.751) 3.717 4.255 ( 17.487 10.096 -0.417) 20.197 7.123 ( -8.566 -4.945 -1.258) 9.970 8.247 ( 9.256 5.344 0.386) 10.695 9.818 ( 34.124 19.701 -5.835) 39.833 10.779 ( -17.862 -10.313 -7.722) 22.024 11.381 ( -4.437 -2.562 -0.282) 5.131 14.822 ( -3.324 -1.919 9.217) 9.984 15.357 ( 2.258 1.304 -12.700) 12.965======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.201 ( 18.301 10.566 0.118) 21.133 2.366 ( 4.576 2.642 11.803) 12.931 3.355 ( 35.749 20.639 -1.543) 41.308 3.938 ( 4.699 2.713 0.285) 5.434 4.684 ( 20.624 11.907 1.163) 23.843 6.973 ( -5.108 -2.949 -1.061) 5.992 8.492 ( 12.639 7.297 0.318) 14.598 10.074 ( -11.103 -6.410 10.171) 16.365 10.725 ( 17.007 9.819 -22.095) 29.561 11.276 ( -4.793 -2.767 -0.192) 5.538 14.798 ( -2.813 -1.624 13.904) 14.278 15.248 ( -6.601 -3.811 -16.231) 17.931======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.496 ( 4.959 2.863 4.150) 7.072 2.594 ( 17.267 9.969 -1.819) 20.021 4.055 ( 5.494 3.172 1.151) 6.448 4.107 ( 32.036 18.496 -4.024) 37.210 5.154 ( 20.818 12.020 2.694) 24.190 6.882 ( -2.992 -1.727 0.267) 3.465 8.797 ( 14.418 8.324 0.436) 16.654 9.833 ( -9.752 -5.630 5.272) 12.433 10.959 ( 7.361 4.250 -16.027) 18.141 11.180 ( -3.557 -2.054 -0.296) 4.118 14.651 ( -17.823 -10.290 7.592) 21.936 15.129 ( 3.989 2.303 -7.323) 8.651======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.609 ( 4.810 2.777 -2.248) 5.992 2.946 ( 15.047 8.687 -2.452) 17.547 4.182 ( 5.462 3.154 1.695) 6.531 4.717 ( 24.390 14.082 -6.429) 28.888 5.606 ( 18.586 10.731 4.260) 21.880 6.846 ( -0.564 -0.326 2.308) 2.398 9.115 ( 13.687 7.902 0.717) 15.821 9.715 ( -1.959 -1.131 2.394) 3.294 10.953 ( -2.462 -1.421 -12.102) 12.431 11.127 ( -0.842 -0.486 -0.644) 1.166 14.135 ( -27.295 -15.759 -0.681) 31.525 15.309 ( 10.456 6.037 2.793) 12.393======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.687 ( 3.600 2.079 -7.000) 8.141 3.239 ( 12.016 6.937 -2.172) 14.044 4.302 ( 4.751 2.743 1.928) 5.815 5.140 ( 16.223 9.366 -8.191) 20.445 5.988 ( 13.976 8.069 5.540) 17.062 6.877 ( 2.452 1.416 4.209) 5.073 9.388 ( 10.358 5.980 1.070) 12.009 9.758 ( 5.161 2.980 0.294) 5.967 10.820 ( -5.366 -3.098 -8.497) 10.517 11.142 ( 2.450 1.414 -1.163) 3.059 13.500 ( -28.984 -16.734 -0.994) 33.482 15.552 ( 9.748 5.628 3.765) 11.869======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.341 ( -0.000 9.538 11.061) 14.605 1.686 ( -0.000 33.847 7.651) 34.701 2.454 ( -0.000 -0.507 17.758) 17.765 3.838 ( -0.000 3.238 -2.465) 4.069 3.899 ( -0.000 11.312 -0.673) 11.332 7.402 ( 0.000 -19.881 -1.696) 19.953 8.066 ( -0.000 4.841 1.165) 4.979 8.887 ( -0.000 52.133 -9.455) 52.983 11.252 ( 0.000 -21.705 -1.409) 21.751 11.477 ( 0.000 -2.525 -0.818) 2.654 14.882 ( -0.000 -2.961 6.636) 7.267 15.225 ( -0.000 8.880 -7.232) 11.453======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.635 ( 14.906 12.428 6.973) 20.621 2.142 ( 9.528 29.463 11.468) 33.021 2.544 ( 6.639 6.475 6.667) 11.422 3.861 ( 0.136 5.193 -1.393) 5.379 4.131 ( 10.745 14.893 -0.052) 18.365 7.179 ( -6.168 -9.787 -1.373) 11.650 8.184 ( 5.933 7.576 0.841) 9.660 9.555 ( 23.474 38.600 -6.666) 45.666 10.899 ( -13.584 -20.212 -4.815) 24.824 11.419 ( -2.825 -3.126 -0.598) 4.256 14.859 ( -1.274 -4.211 8.458) 9.534 15.303 ( 2.332 5.003 -10.749) 12.084======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.042 ( 15.725 14.373 2.074) 21.405 2.409 ( 0.943 5.840 13.296) 14.553 3.033 ( 27.070 26.225 -2.754) 37.791 3.940 ( 2.328 7.626 -0.151) 7.975 4.510 ( 16.095 16.216 0.801) 22.862 7.017 ( -4.738 -4.754 -1.179) 6.815 8.403 ( 9.279 11.023 0.471) 14.416 10.107 ( 6.779 0.772 10.260) 12.321 10.574 ( 0.327 4.927 -20.004) 20.605 11.330 ( -4.083 -2.471 -0.428) 4.792 14.835 ( -0.491 -4.239 12.125) 12.854 15.264 ( -4.418 -1.690 -14.514) 15.265======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.402 ( 10.925 7.758 1.054) 13.441 2.543 ( 5.378 12.308 3.888) 13.983 3.716 ( 27.442 16.404 -2.647) 32.080 4.099 ( 5.598 15.033 0.203) 16.043 4.959 ( 18.650 15.432 1.777) 24.272 6.915 ( -3.185 -2.454 -0.185) 4.025 8.699 ( 11.203 14.198 0.353) 18.089 9.928 ( -9.717 -12.714 6.106) 17.127 10.796 ( 11.198 7.985 -14.226) 19.787 11.242 ( -4.437 -0.454 -0.557) 4.495 14.787 ( -7.442 -11.751 12.091) 18.430 15.101 ( -2.501 1.709 -12.674) 13.031======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.549 ( 4.631 2.176 -0.542) 5.145 2.856 ( 10.523 17.812 -1.925) 20.777 4.099 ( 10.420 3.740 0.798) 11.099 4.505 ( 18.471 22.295 -4.047) 29.234 5.419 ( 18.721 13.223 3.055) 23.122 6.863 ( -1.319 -0.784 1.510) 2.153 9.034 ( 10.895 16.250 0.480) 19.570 9.728 ( -3.766 -7.263 2.068) 8.439 10.896 ( 2.765 -1.352 -9.653) 10.132 11.173 ( -3.881 0.929 -0.481) 4.019 14.381 ( -21.980 -18.075 -1.090) 28.479 15.206 ( 8.921 5.161 2.386) 10.579======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.626 ( 3.446 1.769 -4.761) 6.137 3.176 ( 8.596 16.675 -2.416) 18.915 4.270 ( 5.498 5.277 1.877) 7.848 4.960 ( 15.674 15.003 -6.407) 22.623 5.838 ( 16.237 10.007 4.567) 19.612 6.870 ( 1.215 0.771 3.160) 3.472 9.354 ( 7.845 16.569 0.757) 18.348 9.682 ( 3.494 -2.780 -0.159) 4.468 10.833 ( -2.918 -3.966 -6.847) 8.434 11.145 ( -0.649 2.460 -0.341) 2.567 13.786 ( -26.415 -18.792 -2.717) 32.532 15.433 ( 10.889 3.282 4.817) 12.351======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.675 ( -0.000 17.405 8.534) 19.385 2.391 ( -0.000 17.366 16.259) 23.790 2.592 ( -0.000 22.273 -3.787) 22.593 3.900 ( -0.000 4.944 -2.608) 5.590 4.218 ( -0.000 20.837 1.563) 20.896 7.127 ( 0.000 -9.246 -1.606) 9.385 8.220 ( -0.000 10.254 1.472) 10.359 9.737 ( -0.000 36.714 -1.449) 36.743 10.792 ( 0.000 -18.968 -8.662) 20.853 11.399 ( 0.000 -4.772 -0.991) 4.874 14.850 ( -0.000 -5.666 9.484) 11.048 15.300 ( 0.000 4.354 -11.347) 12.154======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.980 ( 11.011 18.176 5.641) 21.987 2.483 ( 0.436 0.431 11.355) 11.371 3.007 ( 10.818 37.763 -3.760) 39.462 3.968 ( 2.834 7.032 -1.801) 7.793 4.500 ( 7.355 22.286 1.609) 23.524 7.023 ( -2.554 -5.631 -1.570) 6.379 8.391 ( 6.267 13.065 1.220) 14.542 10.058 ( 4.819 3.776 11.908) 13.390 10.589 ( -3.377 4.122 -19.471) 20.187 11.339 ( -1.043 -4.348 -0.969) 4.575 14.825 ( 0.062 -6.922 12.316) 14.128 15.266 ( -2.540 0.307 -14.196) 14.424======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.339 ( 9.182 12.750 2.164) 15.860 2.580 ( 5.557 8.270 5.616) 11.438 3.543 ( 15.568 26.755 -2.620) 31.065 4.138 ( 7.047 13.551 -0.594) 15.285 4.876 ( 11.958 20.712 1.336) 23.953 6.935 ( -2.484 -3.026 -0.934) 4.025 8.676 ( 10.119 16.718 0.778) 19.558 9.950 ( -6.999 -16.211 7.815) 19.310 10.699 ( 5.876 12.482 -12.758) 18.791 11.283 ( -1.616 -1.890 -1.074) 2.709 14.780 ( -1.870 -13.457 14.347) 19.759 15.141 ( -5.033 2.189 -15.406) 16.355======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.504 ( 3.761 3.459 0.428) 5.127 2.881 ( 9.816 19.954 0.283) 22.239 3.955 ( 12.561 11.227 -0.798) 16.866 4.476 ( 12.228 22.407 -1.407) 25.565 5.287 ( 14.661 17.161 1.589) 22.627 6.880 ( -1.388 -1.184 0.360) 1.860 9.037 ( 11.129 20.398 0.551) 23.243 9.723 ( -5.330 -10.715 2.323) 12.191 10.808 ( 3.185 0.967 -6.509) 7.311 11.236 ( -2.732 -0.262 -0.687) 2.829 14.501 ( -14.431 -20.952 2.364) 25.551 15.148 ( 4.002 5.950 -2.050) 7.458======================= 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 0.00e+00 7.23e-05 Number of triplets: 2920Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.580 ( 2.788 2.230 -2.352) 4.275 3.229 ( 7.687 21.836 -1.698) 23.212 4.213 ( 8.935 7.305 1.132) 11.596 4.884 ( 11.756 19.727 -3.622) 23.248 5.690 ( 15.375 12.657 2.819) 20.113 6.870 ( 0.349 0.231 1.747) 1.797 9.414 ( 8.555 21.728 0.483) 23.357 9.608 ( 0.592 -4.587 -0.063) 4.625 10.798 ( -0.174 -3.423 -4.391) 5.570 11.192 ( -2.173 1.083 0.270) 2.443 13.986 ( -21.590 -21.373 -2.604) 30.491 15.309 ( 8.552 2.798 3.744) 9.746======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.093 ( -0.000 20.308 6.516) 21.327 2.494 ( -0.000 -1.310 6.585) 6.714 3.309 ( -0.000 40.854 -1.565) 40.884 3.989 ( -0.000 6.088 -2.649) 6.639 4.683 ( -0.000 25.605 1.665) 25.659 6.987 ( 0.000 -4.673 -1.890) 5.041 8.472 ( -0.000 14.710 1.522) 14.788 10.046 ( 0.000 -11.530 14.097) 18.211 10.644 ( -0.000 16.294 -19.118) 25.120 11.290 ( 0.000 -5.578 -1.034) 5.673 14.787 ( 0.000 -10.396 14.049) 17.477 15.248 ( 0.000 1.356 -15.613) 15.672======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.364 ( 5.167 16.175 4.066) 17.460 2.550 ( 6.156 4.238 4.360) 8.653 3.694 ( 1.733 32.836 -1.029) 32.898 4.117 ( 8.311 10.809 -1.584) 13.727 4.972 ( 4.252 25.185 0.745) 25.553 6.932 ( -1.205 -2.956 -1.742) 3.636 8.690 ( 7.365 16.916 1.151) 18.486 9.913 ( -3.808 -15.447 8.158) 17.879 10.746 ( -0.298 12.823 -10.028) 16.281 11.249 ( 1.361 -4.044 -1.213) 4.436 14.703 ( -0.916 -17.400 14.239) 22.502 15.192 ( -3.084 4.922 -15.515) 16.566======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.499 ( 1.695 4.286 1.445) 4.831 2.871 ( 13.685 17.632 2.434) 22.452 3.957 ( 3.128 17.156 -1.207) 17.481 4.467 ( 13.519 20.724 0.208) 24.745 5.296 ( 7.146 21.962 -0.184) 23.096 6.887 ( -0.968 -1.272 -0.982) 1.876 9.037 ( 12.344 19.920 0.493) 23.440 9.721 ( -5.590 -10.472 2.897) 12.219 10.789 ( -0.694 2.817 -2.889) 4.095 11.238 ( 0.754 -2.271 -1.039) 2.609 14.476 ( -7.209 -24.337 6.881) 26.299 15.178 ( -0.975 8.184 -7.492) 11.138======================= 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 0.00e+00 7.23e-05 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.564 ( 1.719 2.977 -0.000) 3.438 3.277 ( 11.954 20.704 -0.000) 23.907 4.164 ( 6.383 11.056 -0.000) 12.766 4.885 ( 11.601 20.093 -0.000) 23.202 5.621 ( 9.636 16.690 -0.000) 19.272 6.872 ( 0.027 0.047 -0.000) 0.055 9.452 ( 11.148 19.309 -0.000) 22.296 9.583 ( -1.031 -1.785 -0.000) 2.062 10.771 ( -1.118 -1.936 -0.000) 2.236 11.219 ( -0.561 -0.972 -0.000) 1.123 14.061 ( -14.586 -25.263 -0.000) 29.172 15.253 ( 3.023 5.236 -0.000) 6.046======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.519 ( -0.000 1.158 2.543) 2.795 2.522 ( -0.000 20.066 4.938) 20.664 4.041 ( -0.000 35.001 1.549) 35.036 4.094 ( -0.000 6.558 -2.524) 7.027 5.189 ( -0.000 25.964 -0.469) 25.968 6.909 ( 0.000 -2.172 -2.230) 3.113 8.790 ( -0.000 17.037 1.097) 17.073 9.837 ( 0.000 -12.078 6.066) 13.516 10.835 ( -0.000 8.056 -5.347) 9.669 11.184 ( 0.000 -4.447 -0.741) 4.509 14.566 ( 0.000 -22.938 12.320) 26.037 15.232 ( 0.000 8.458 -13.771) 16.161======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.535 ( -0.384 3.509 2.366) 4.249 2.829 ( 11.060 17.761 3.544) 21.221 4.111 ( -2.587 11.843 -1.689) 12.239 4.471 ( 10.607 25.212 2.501) 27.466 5.444 ( 2.009 23.852 -1.909) 24.013 6.882 ( -0.366 -0.873 -2.152) 2.352 9.034 ( 8.941 17.813 0.438) 19.936 9.725 ( -3.842 -7.228 2.847) 8.666 10.843 ( -2.810 1.352 0.411) 3.146 11.174 ( 2.700 -2.919 -0.734) 4.043 14.334 ( -3.029 -27.786 7.826) 29.026 15.267 ( -1.859 10.508 -9.221) 14.103======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.580 ( -0.000 3.195 3.467) 4.715 2.916 ( -0.000 17.689 3.510) 18.034 4.202 ( -0.000 6.329 -2.257) 6.719 4.659 ( -0.000 26.966 4.979) 27.422 5.646 ( -0.000 22.477 -3.440) 22.738 6.872 ( 0.000 0.130 -2.849) 2.852 9.118 ( -0.000 16.122 0.151) 16.122 9.720 ( 0.000 -2.657 1.721) 3.166 10.872 ( 0.000 -2.606 3.511) 4.372 11.124 ( 0.000 -1.306 0.037) 1.306 14.100 ( 0.000 -30.856 5.884) 31.412 15.364 ( -0.000 11.871 -7.794) 14.201======================= 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 0.00e+00 7.23e-05 Number of triplets: 570Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.311 ( -0.000 -0.000 8.834) 8.834 1.311 ( -0.000 -0.000 8.834) 8.834 2.532 ( -0.000 -0.000 18.438) 18.438 3.791 ( 0.000 0.000 -1.820) 1.820 3.791 ( 0.000 0.000 -1.820) 1.820 7.873 ( 0.000 0.000 -8.549) 8.549 8.028 ( -0.000 -0.000 0.677) 0.677 8.028 ( -0.000 -0.000 0.677) 0.677 11.496 ( 0.000 0.000 -0.510) 0.510 11.496 ( 0.000 0.000 -0.510) 0.510 14.920 ( -0.000 -0.000 5.066) 5.066 15.112 ( 0.000 0.000 -3.757) 3.757======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.495 ( 11.444 6.607 4.284) 13.891 1.649 ( 26.283 15.175 8.848) 31.613 2.568 ( -1.003 -0.579 13.033) 13.084 3.794 ( 1.453 0.839 -0.804) 1.860 3.922 ( 11.235 6.487 -1.472) 13.057 7.385 ( -16.962 -9.793 -1.631) 19.654 8.090 ( 4.993 2.883 0.197) 5.769 8.826 ( 44.576 25.736 -6.320) 51.858 11.245 ( -20.400 -11.778 -0.853) 23.571 11.461 ( -2.703 -1.561 -0.186) 3.127 14.931 ( -1.375 -0.794 6.622) 6.809 15.177 ( 6.141 3.545 -7.130) 10.056======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.815 ( 16.151 9.325 0.117) 18.650 2.292 ( 19.265 11.123 13.899) 26.230 2.673 ( 15.655 9.038 -0.342) 18.080 3.848 ( 3.488 2.014 0.354) 4.044 4.251 ( 18.105 10.453 -0.467) 20.911 7.112 ( -8.536 -4.928 -0.890) 9.897 8.248 ( 9.239 5.334 -0.176) 10.670 9.769 ( 39.254 22.663 -3.766) 45.482 10.721 ( -23.478 -13.555 -3.741) 27.367 11.380 ( -4.404 -2.542 0.100) 5.086 14.914 ( -1.727 -0.997 8.586) 8.815 15.238 ( 0.278 0.160 -10.560) 10.565======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.189 ( 17.665 10.199 -2.540) 20.556 2.468 ( 1.472 0.850 8.028) 8.206 3.332 ( 35.339 20.403 -2.673) 40.893 3.946 ( 4.962 2.865 1.363) 5.890 4.694 ( 21.317 12.307 0.560) 24.621 6.967 ( -4.799 -2.771 -0.055) 5.542 8.492 ( 12.729 7.349 -0.368) 14.703 10.175 ( -16.080 -9.284 8.251) 20.319 10.530 ( 21.674 12.514 -14.742) 29.046 11.276 ( -4.842 -2.796 0.269) 5.598 14.940 ( 0.046 0.027 14.069) 14.069 15.089 ( -8.720 -5.035 -15.074) 18.128======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.525 ( 2.424 1.399 1.332) 3.100 2.566 ( 17.163 9.909 -3.637) 20.148 4.068 ( 31.089 17.949 -3.498) 36.068 4.071 ( 5.630 3.251 2.008) 6.805 5.177 ( 21.636 12.492 1.788) 25.048 6.890 ( -2.370 -1.368 1.392) 3.070 8.797 ( 14.613 8.437 -0.352) 16.877 9.865 ( -10.717 -6.188 0.559) 12.388 10.841 ( 7.909 4.566 -6.535) 11.230 11.179 ( -3.726 -2.151 0.238) 4.309 14.662 ( -21.448 -12.383 -5.412) 25.351 15.123 ( 8.460 4.884 6.301) 11.624======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.437 ( -0.000 9.618 7.823) 12.397 1.742 ( -0.000 33.398 3.308) 33.561 2.600 ( -0.000 -3.431 10.845) 11.375 3.815 ( -0.000 2.985 -2.022) 3.606 3.897 ( -0.000 12.308 0.107) 12.309 7.383 ( 0.000 -19.173 -1.728) 19.251 8.077 ( -0.000 5.081 0.965) 5.172 8.813 ( -0.000 50.839 -5.238) 51.109 11.242 ( 0.000 -23.046 -0.725) 23.057 11.469 ( 0.000 -2.671 -0.660) 2.751 14.949 ( -0.000 -1.861 6.624) 6.881 15.154 ( -0.000 6.582 -6.764) 9.438======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.690 ( 11.773 13.163 3.760) 18.056 2.230 ( 14.680 34.291 5.846) 37.756 2.596 ( 1.687 -1.629 3.409) 4.137 3.850 ( 1.143 4.718 -0.760) 4.914 4.132 ( 10.320 15.942 0.133) 18.991 7.166 ( -5.986 -9.855 -0.989) 11.573 8.191 ( 5.430 7.961 0.451) 9.647 9.504 ( 24.480 41.579 -3.282) 48.361 10.863 ( -14.690 -24.001 -2.322) 28.235 11.414 ( -2.500 -3.389 -0.318) 4.223 14.942 ( -0.668 -2.753 7.475) 7.994 15.204 ( 1.143 3.071 -8.528) 9.136======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.049 ( 13.483 15.457 -0.743) 20.525 2.518 ( -1.390 2.741 7.810) 8.393 3.000 ( 28.154 26.682 -3.102) 38.913 3.942 ( 3.092 7.211 0.607) 7.869 4.515 ( 16.166 16.901 0.175) 23.388 7.009 ( -4.399 -4.855 -0.296) 6.558 8.405 ( 8.967 11.407 -0.136) 14.510 10.218 ( 17.370 14.127 10.051) 24.542 10.394 ( -10.454 -8.344 -14.081) 19.421 11.329 ( -3.861 -2.836 0.073) 4.792 14.952 ( 1.502 -1.067 9.759) 9.931 15.130 ( -6.224 -4.664 -10.699) 13.227======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.396 ( 11.502 10.437 -2.056) 15.666 2.568 ( 1.825 9.005 0.637) 9.210 3.696 ( 27.747 17.093 -1.297) 32.615 4.104 ( 5.293 13.760 0.900) 14.771 4.972 ( 19.184 15.904 0.655) 24.927 6.918 ( -2.540 -2.440 0.867) 3.627 8.698 ( 11.103 14.574 -0.428) 18.327 9.960 ( -11.622 -12.972 -0.557) 17.425 10.705 ( 12.366 8.471 -2.701) 15.230 11.241 ( -4.335 -0.894 0.361) 4.440 14.825 ( -15.622 -12.921 -7.217) 21.519 15.062 ( 6.406 3.184 7.585) 10.427======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.750 ( -0.000 17.202 6.216) 18.291 2.497 ( -0.000 42.157 -0.991) 42.169 2.568 ( 0.000 -4.197 4.787) 6.367 3.876 ( -0.000 4.739 -2.185) 5.219 4.234 ( -0.000 21.309 1.353) 21.352 7.113 ( 0.000 -9.432 -1.050) 9.490 8.234 ( -0.000 10.437 1.171) 10.502 9.731 ( -0.000 43.703 0.169) 43.703 10.726 ( 0.000 -26.087 -4.324) 26.443 11.390 ( 0.000 -4.897 -0.781) 4.959 14.941 ( -0.000 -3.385 7.895) 8.590 15.197 ( 0.000 1.644 -8.450) 8.609======================= 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 0.00e+00 7.23e-05 Number of triplets: 2916Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.027 ( 8.887 18.472 3.462) 20.789 2.552 ( 0.954 -1.828 1.776) 2.722 2.983 ( 10.287 39.014 -0.344) 40.349 3.952 ( 3.770 6.697 -1.320) 7.798 4.512 ( 6.999 22.549 0.767) 23.622 7.011 ( -2.294 -5.926 -0.748) 6.398 8.401 ( 5.869 13.300 0.725) 14.556 10.188 ( 8.439 16.850 12.943) 22.862 10.412 ( -6.869 -8.356 -14.717) 18.264 11.332 ( -0.851 -4.618 -0.538) 4.727 14.945 ( 0.991 -3.023 10.439) 10.914 15.134 ( -3.533 -3.731 -10.915) 12.064======================= 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 0.00e+00 7.23e-05 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.350 ( 7.832 13.565 -0.000) 15.663 2.609 ( 4.384 7.593 -0.000) 8.767 3.530 ( 15.540 26.916 -0.000) 31.079 4.134 ( 7.604 13.171 -0.000) 15.208 4.883 ( 12.003 20.790 -0.000) 24.007 6.930 ( -1.904 -3.298 -0.000) 3.808 8.680 ( 9.807 16.986 -0.000) 19.614 9.994 ( -9.827 -17.020 -0.000) 19.653 10.630 ( 8.097 14.024 -0.000) 16.193 11.278 ( -1.352 -2.342 -0.000) 2.704 14.884 ( -9.088 -15.741 -0.000) 18.177 15.032 ( 2.578 4.465 0.000) 5.156======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.151 ( -0.000 20.104 4.838) 20.678 2.519 ( 0.000 -0.984 -1.556) 1.841 3.309 ( -0.000 41.077 1.428) 41.102 3.965 ( -0.000 5.961 -2.191) 6.351 4.694 ( -0.000 25.229 0.481) 25.234 6.972 ( 0.000 -5.089 -1.031) 5.192 8.485 ( -0.000 14.738 1.010) 14.773 10.176 ( 0.000 -19.220 9.391) 21.391 10.492 ( -0.000 24.947 -8.607) 26.390 11.281 ( 0.000 -5.607 -0.697) 5.650 14.931 ( -0.000 -7.729 14.414) 16.355 15.094 ( 0.000 -1.678 -14.723) 14.818======================= 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 0.00e+00 7.23e-05 Number of triplets: 580Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.379 ( -0.000 -0.000 4.545) 4.545 1.379 ( -0.000 -0.000 4.545) 4.545 2.675 ( -0.000 -0.000 9.630) 9.630 3.776 ( 0.000 0.000 -1.001) 1.001 3.776 ( 0.000 0.000 -1.001) 1.001 7.805 ( 0.000 0.000 -4.698) 4.698 8.033 ( -0.000 -0.000 0.361) 0.361 8.033 ( -0.000 -0.000 0.361) 0.361 11.492 ( 0.000 0.000 -0.272) 0.272 11.492 ( 0.000 0.000 -0.272) 0.272 14.970 ( -0.000 -0.000 4.689) 4.689 15.072 ( 0.000 0.000 -3.997) 3.997======================= 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 0.00e+00 7.23e-05 Number of triplets: 1539Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.517 ( 10.043 5.799 0.123) 11.598 1.721 ( 27.079 15.634 5.249) 31.706 2.660 ( -3.035 -1.752 5.088) 6.179 3.791 ( 1.847 1.067 0.243) 2.147 3.910 ( 11.440 6.605 -1.068) 13.253 7.372 ( -16.435 -9.489 -0.805) 18.995 8.089 ( 4.828 2.788 -0.238) 5.580 8.783 ( 43.663 25.209 -2.241) 50.468 11.239 ( -20.671 -11.934 -0.408) 23.872 11.461 ( -2.589 -1.495 0.124) 2.992 14.996 ( -0.986 -0.569 5.690) 5.803 15.109 ( 4.904 2.831 -5.912) 8.186======================= 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 0.00e+00 7.23e-05 Number of triplets: 1550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.799 ( 15.288 8.826 -3.240) 17.947 2.418 ( 24.414 14.095 10.947) 30.241 2.641 ( 8.673 5.008 -5.902) 11.625 3.857 ( 3.826 2.209 1.397) 4.634 4.245 ( 18.455 10.655 -0.842) 21.327 7.107 ( -8.352 -4.822 0.032) 9.644 8.243 ( 9.163 5.290 -0.720) 10.605 9.741 ( 40.493 23.379 -1.841) 46.794 10.703 ( -25.107 -14.495 0.190) 28.992 11.383 ( -4.335 -2.503 0.471) 5.028 14.979 ( -0.894 -0.516 2.314) 2.534 15.160 ( -0.723 -0.417 -2.989) 3.104======================= 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 0.00e+00 7.23e-05 Number of triplets: 1548Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.498 ( -0.000 10.354 4.014) 11.105 1.753 ( -0.000 32.400 -1.098) 32.419 2.670 ( 0.000 -4.372 3.056) 5.334 3.799 ( -0.000 2.597 -1.246) 2.881 3.901 ( -0.000 13.004 0.665) 13.021 7.371 ( 0.000 -18.814 -0.630) 18.825 8.085 ( -0.000 5.337 0.643) 5.375 8.780 ( -0.000 50.223 -1.472) 50.245 11.237 ( 0.000 -23.722 -0.120) 23.723 11.464 ( 0.000 -2.833 -0.419) 2.864 15.010 ( -0.000 -1.782 4.396) 4.744 15.093 ( -0.000 6.050 -4.330) 7.440======================= 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 0.00e+00 7.23e-05 Number of triplets: 1467Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.709 ( 8.488 14.701 -0.000) 16.975 2.260 ( 19.891 34.453 -0.000) 39.783 2.613 ( -2.124 -3.680 -0.000) 4.249 3.846 ( 2.342 4.057 -0.000) 4.685 4.132 ( 9.608 16.642 -0.000) 19.217 7.161 ( -5.743 -9.947 -0.000) 11.486 8.193 ( 4.819 8.347 -0.000) 9.638 9.488 ( 24.615 42.634 -0.000) 49.230 10.852 ( -14.696 -25.454 -0.000) 29.392 11.412 ( -2.103 -3.642 -0.000) 4.206 14.989 ( -0.922 -1.597 -0.000) 1.844 15.152 ( 1.056 1.830 0.000) 2.113======================= 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 0.00e+00 7.23e-05 Number of triplets: 290Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.402 ( -0.000 -0.000 0.000) 0.000 1.402 ( -0.000 -0.000 0.000) 0.000 2.724 ( -0.000 -0.000 0.000) 0.000 3.771 ( -0.000 -0.000 0.000) 0.000 3.771 ( -0.000 -0.000 0.000) 0.000 7.781 ( -0.000 -0.000 0.000) 0.000 8.035 ( -0.000 -0.000 0.000) 0.000 8.035 ( -0.000 -0.000 0.000) 0.000 11.491 ( -0.000 -0.000 0.000) 0.000 11.491 ( -0.000 -0.000 0.000) 0.000 15.004 ( -0.000 -0.000 0.000) 0.000 15.042 ( 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 1832.238 1832.238 4522.212 -0.000 -0.000 0.000 3/69984 20.0 1040.444 1040.444 1324.102 -0.000 -0.000 0.000 3/69984 30.0 502.956 502.956 388.273 0.000 -0.000 0.000 3/69984 40.0 269.335 269.335 158.329 0.000 -0.000 0.000 3/69984 50.0 171.846 171.846 83.214 0.000 -0.000 0.000 3/69984 60.0 123.122 123.122 51.947 0.000 -0.000 0.000 3/69984 70.0 94.311 94.311 36.305 0.000 -0.000 0.000 3/69984 80.0 75.345 75.345 27.370 0.000 -0.000 0.000 3/69984 90.0 62.035 62.035 21.754 0.000 -0.000 0.000 3/69984 100.0 52.300 52.300 17.968 0.000 -0.000 0.000 3/69984 110.0 44.960 44.960 15.276 0.000 -0.000 0.000 3/69984 120.0 39.288 39.288 13.281 0.000 -0.000 0.000 3/69984 130.0 34.810 34.810 11.751 0.000 -0.000 0.000 3/69984 140.0 31.209 31.209 10.546 0.000 -0.000 0.000 3/69984 150.0 28.263 28.263 9.573 0.000 -0.000 0.000 3/69984 160.0 25.818 25.818 8.773 0.000 -0.000 0.000 3/69984 170.0 23.759 23.759 8.103 0.000 -0.000 0.000 3/69984 180.0 22.007 22.007 7.534 0.000 -0.000 0.000 3/69984 190.0 20.498 20.498 7.044 0.000 -0.000 0.000 3/69984 200.0 19.186 19.186 6.618 0.000 -0.000 0.000 3/69984 210.0 18.036 18.036 6.244 0.000 -0.000 0.000 3/69984 220.0 17.019 17.019 5.913 0.000 -0.000 0.000 3/69984 230.0 16.115 16.115 5.617 0.000 -0.000 0.000 3/69984 240.0 15.304 15.304 5.351 0.000 -0.000 0.000 3/69984 250.0 14.574 14.574 5.110 0.000 -0.000 0.000 3/69984 260.0 13.913 13.913 4.891 0.000 -0.000 0.000 3/69984 270.0 13.311 13.311 4.692 0.000 -0.000 0.000 3/69984 280.0 12.761 12.761 4.508 0.000 -0.000 0.000 3/69984 290.0 12.256 12.256 4.340 0.000 -0.000 0.000 3/69984 300.0 11.791 11.791 4.183 0.000 -0.000 0.000 3/69984 310.0 11.362 11.362 4.039 0.000 -0.000 0.000 3/69984 320.0 10.963 10.963 3.904 0.000 -0.000 0.000 3/69984 330.0 10.593 10.593 3.778 0.000 -0.000 0.000 3/69984 340.0 10.247 10.247 3.661 0.000 -0.000 0.000 3/69984 350.0 9.924 9.924 3.550 0.000 -0.000 0.000 3/69984 360.0 9.622 9.622 3.447 0.000 -0.000 0.000 3/69984 370.0 9.338 9.338 3.349 0.000 -0.000 0.000 3/69984 380.0 9.070 9.070 3.257 0.000 -0.000 0.000 3/69984 390.0 8.818 8.818 3.170 0.000 -0.000 0.000 3/69984 400.0 8.581 8.581 3.088 0.000 -0.000 0.000 3/69984 410.0 8.355 8.355 3.010 0.000 -0.000 0.000 3/69984 420.0 8.142 8.142 2.936 0.000 -0.000 0.000 3/69984 430.0 7.940 7.940 2.865 0.000 -0.000 0.000 3/69984 440.0 7.748 7.748 2.798 0.000 -0.000 0.000 3/69984 450.0 7.565 7.565 2.734 0.000 -0.000 0.000 3/69984 460.0 7.390 7.390 2.673 0.000 -0.000 0.000 3/69984 470.0 7.224 7.224 2.615 0.000 -0.000 0.000 3/69984 480.0 7.065 7.065 2.559 0.000 -0.000 0.000 3/69984 490.0 6.913 6.913 2.505 0.000 -0.000 0.000 3/69984 500.0 6.768 6.768 2.454 0.000 -0.000 0.000 3/69984 510.0 6.629 6.629 2.405 0.000 -0.000 0.000 3/69984 520.0 6.496 6.496 2.358 0.000 -0.000 0.000 3/69984 530.0 6.368 6.368 2.312 0.000 -0.000 0.000 3/69984 540.0 6.244 6.244 2.269 0.000 -0.000 0.000 3/69984 550.0 6.126 6.126 2.227 0.000 -0.000 0.000 3/69984 560.0 6.012 6.012 2.186 0.000 -0.000 0.000 3/69984 570.0 5.903 5.903 2.147 0.000 -0.000 0.000 3/69984 580.0 5.797 5.797 2.110 0.000 -0.000 0.000 3/69984 590.0 5.695 5.695 2.074 0.000 -0.000 0.000 3/69984 600.0 5.597 5.597 2.038 0.000 -0.000 0.000 3/69984 610.0 5.502 5.502 2.005 0.000 -0.000 0.000 3/69984 620.0 5.411 5.411 1.972 0.000 -0.000 0.000 3/69984 630.0 5.322 5.322 1.940 0.000 -0.000 0.000 3/69984 640.0 5.236 5.236 1.909 0.000 -0.000 0.000 3/69984 650.0 5.153 5.153 1.880 0.000 -0.000 0.000 3/69984 660.0 5.073 5.073 1.851 0.000 -0.000 0.000 3/69984 670.0 4.995 4.995 1.823 0.000 -0.000 0.000 3/69984 680.0 4.920 4.920 1.796 0.000 -0.000 0.000 3/69984 690.0 4.847 4.847 1.770 0.000 -0.000 0.000 3/69984 700.0 4.776 4.776 1.744 0.000 -0.000 0.000 3/69984 710.0 4.707 4.707 1.719 0.000 -0.000 0.000 3/69984 720.0 4.640 4.640 1.695 0.000 -0.000 0.000 3/69984 730.0 4.575 4.575 1.672 0.000 -0.000 0.000 3/69984 740.0 4.512 4.512 1.649 0.000 -0.000 0.000 3/69984 750.0 4.450 4.450 1.627 0.000 -0.000 0.000 3/69984 760.0 4.390 4.390 1.605 0.000 -0.000 0.000 3/69984 770.0 4.332 4.332 1.584 0.000 -0.000 0.000 3/69984 780.0 4.275 4.275 1.564 0.000 -0.000 0.000 3/69984 790.0 4.220 4.220 1.544 0.000 -0.000 0.000 3/69984 800.0 4.166 4.166 1.524 0.000 -0.000 0.000 3/69984 810.0 4.114 4.114 1.505 0.000 -0.000 0.000 3/69984 820.0 4.063 4.063 1.487 0.000 -0.000 0.000 3/69984 830.0 4.013 4.013 1.469 0.000 -0.000 0.000 3/69984 840.0 3.965 3.965 1.451 0.000 -0.000 0.000 3/69984 850.0 3.917 3.917 1.434 0.000 -0.000 0.000 3/69984 860.0 3.871 3.871 1.417 0.000 -0.000 0.000 3/69984 870.0 3.826 3.826 1.401 0.000 -0.000 0.000 3/69984 880.0 3.781 3.781 1.385 0.000 -0.000 0.000 3/69984 890.0 3.738 3.738 1.369 0.000 -0.000 0.000 3/69984 900.0 3.696 3.696 1.354 0.000 -0.000 0.000 3/69984 910.0 3.655 3.655 1.339 0.000 -0.000 0.000 3/69984 920.0 3.615 3.615 1.324 0.000 -0.000 0.000 3/69984 930.0 3.575 3.575 1.310 0.000 -0.000 0.000 3/69984 940.0 3.537 3.537 1.296 0.000 -0.000 0.000 3/69984 950.0 3.499 3.499 1.282 0.000 -0.000 0.000 3/69984 960.0 3.462 3.462 1.269 0.000 -0.000 0.000 3/69984 970.0 3.426 3.426 1.256 0.000 -0.000 0.000 3/69984 980.0 3.390 3.390 1.243 0.000 -0.000 0.000 3/69984 990.0 3.356 3.356 1.230 0.000 -0.000 0.000 3/69984 1000.0 3.322 3.322 1.218 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 23:55:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|