# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/122e3bbc-0b73-41b2-b465-2a0a5127d236/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 RbErSe2 / R-3m (166) / materials id 10784](https://mdr.nims.go.jp/datasets/36f87660-328d-4c30-80ac-c9ebb666d571) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 23:45:49]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)Number of symmetry operations in supercell: 324------------------------------ primitive cell ------------------------------Lattice vectors: a 2.070139421257652 1.195195552123159 7.878440893333326 b -2.070139421257647 1.195195552123159 7.878440893333326 c 0.000000000000002 -2.390391104246321 7.878440893333326Atomic positions (fractional): *1 Se 0.76845780065403 0.76845780065403 0.76845780065403 78.960 2 Se 0.23154219934597 0.23154219934597 0.23154219934597 78.960 *3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 *4 Er 0.50000000000000 0.50000000000000 0.50000000000000 167.259-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.140278842515299 0.000000000000000 0.000000000000000 b -2.070139421257649 3.585586656369480 0.000000000000000 c 0.000000000000000 0.000000000000000 23.635322680000002Atomic positions (fractional): *1 Se 0.66666666666667 0.33333333333333 0.10179113398736 78.960 > 1 2 Se 0.00000000000000 0.00000000000000 0.23154219934597 78.960 > 2 3 Se 0.33333333333333 0.66666666666667 0.43512446732069 78.960 > 1 4 Se 0.66666666666667 0.33333333333333 0.56487553267931 78.960 > 2 5 Se 0.00000000000000 0.00000000000000 0.76845780065403 78.960 > 1 6 Se 0.33333333333333 0.66666666666667 0.89820886601264 78.960 > 2 *7 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 8 Rb 0.66666666666667 0.33333333333333 0.33333333333333 85.468 > 3 9 Rb 0.33333333333333 0.66666666666667 0.66666666666667 85.468 > 3 *10 Er 0.33333333333333 0.66666666666667 0.16666666666667 167.259 > 4 11 Er 0.00000000000000 0.00000000000000 0.50000000000000 167.259 > 4 12 Er 0.66666666666667 0.33333333333333 0.83333333333333 167.259 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 12.420836527545896 0.000000000000000 0.000000000000000 b -6.210418263772947 10.756759969108440 0.000000000000000 c 0.000000000000000 0.000000000000000 23.635322680000002Atomic positions (fractional): *1 Se 0.22222222222222 0.11111111111111 0.10179113398736 78.960 > 1 2 Se 0.55555555555556 0.11111111111111 0.10179113398736 78.960 > 1 3 Se 0.88888888888889 0.11111111111111 0.10179113398736 78.960 > 1 4 Se 0.22222222222222 0.44444444444444 0.10179113398736 78.960 > 1 5 Se 0.55555555555556 0.44444444444444 0.10179113398736 78.960 > 1 6 Se 0.88888888888889 0.44444444444444 0.10179113398736 78.960 > 1 7 Se 0.22222222222222 0.77777777777778 0.10179113398736 78.960 > 1 8 Se 0.55555555555556 0.77777777777778 0.10179113398736 78.960 > 1 9 Se 0.88888888888889 0.77777777777778 0.10179113398736 78.960 > 1 10 Se 0.00000000000000 0.00000000000000 0.23154219934597 78.960 > 2 11 Se 0.33333333333333 0.00000000000000 0.23154219934597 78.960 > 2 12 Se 0.66666666666667 0.00000000000000 0.23154219934597 78.960 > 2 13 Se 0.00000000000000 0.33333333333333 0.23154219934597 78.960 > 2 14 Se 0.33333333333333 0.33333333333333 0.23154219934597 78.960 > 2 15 Se 0.66666666666667 0.33333333333333 0.23154219934597 78.960 > 2 16 Se 0.00000000000000 0.66666666666667 0.23154219934597 78.960 > 2 17 Se 0.33333333333333 0.66666666666667 0.23154219934597 78.960 > 2 18 Se 0.66666666666667 0.66666666666667 0.23154219934597 78.960 > 2 19 Se 0.11111111111111 0.22222222222222 0.43512446732069 78.960 > 1 20 Se 0.44444444444444 0.22222222222222 0.43512446732069 78.960 > 1 21 Se 0.77777777777778 0.22222222222222 0.43512446732069 78.960 > 1 22 Se 0.11111111111111 0.55555555555556 0.43512446732069 78.960 > 1 23 Se 0.44444444444444 0.55555555555556 0.43512446732069 78.960 > 1 24 Se 0.77777777777778 0.55555555555556 0.43512446732069 78.960 > 1 25 Se 0.11111111111111 0.88888888888889 0.43512446732069 78.960 > 1 26 Se 0.44444444444444 0.88888888888889 0.43512446732069 78.960 > 1 27 Se 0.77777777777778 0.88888888888889 0.43512446732069 78.960 > 1 28 Se 0.22222222222222 0.11111111111111 0.56487553267931 78.960 > 2 29 Se 0.55555555555556 0.11111111111111 0.56487553267931 78.960 > 2 30 Se 0.88888888888889 0.11111111111111 0.56487553267931 78.960 > 2 31 Se 0.22222222222222 0.44444444444444 0.56487553267931 78.960 > 2 32 Se 0.55555555555556 0.44444444444444 0.56487553267931 78.960 > 2 33 Se 0.88888888888889 0.44444444444444 0.56487553267931 78.960 > 2 34 Se 0.22222222222222 0.77777777777778 0.56487553267931 78.960 > 2 35 Se 0.55555555555556 0.77777777777778 0.56487553267931 78.960 > 2 36 Se 0.88888888888889 0.77777777777778 0.56487553267931 78.960 > 2 37 Se 0.00000000000000 0.00000000000000 0.76845780065403 78.960 > 1 38 Se 0.33333333333333 0.00000000000000 0.76845780065403 78.960 > 1 39 Se 0.66666666666667 0.00000000000000 0.76845780065403 78.960 > 1 40 Se 0.00000000000000 0.33333333333333 0.76845780065403 78.960 > 1 41 Se 0.33333333333333 0.33333333333333 0.76845780065403 78.960 > 1 42 Se 0.66666666666667 0.33333333333333 0.76845780065403 78.960 > 1 43 Se 0.00000000000000 0.66666666666667 0.76845780065403 78.960 > 1 44 Se 0.33333333333333 0.66666666666667 0.76845780065403 78.960 > 1 45 Se 0.66666666666667 0.66666666666667 0.76845780065403 78.960 > 1 46 Se 0.11111111111111 0.22222222222222 0.89820886601264 78.960 > 2 47 Se 0.44444444444444 0.22222222222222 0.89820886601264 78.960 > 2 48 Se 0.77777777777778 0.22222222222222 0.89820886601264 78.960 > 2 49 Se 0.11111111111111 0.55555555555556 0.89820886601264 78.960 > 2 50 Se 0.44444444444444 0.55555555555556 0.89820886601264 78.960 > 2 51 Se 0.77777777777778 0.55555555555556 0.89820886601264 78.960 > 2 52 Se 0.11111111111111 0.88888888888889 0.89820886601264 78.960 > 2 53 Se 0.44444444444444 0.88888888888889 0.89820886601264 78.960 > 2 54 Se 0.77777777777778 0.88888888888889 0.89820886601264 78.960 > 2 *55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 3 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 3 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 3 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 3 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 3 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 3 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 3 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 3 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 3 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 3 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 3 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 3 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 3 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 3 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 3 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 3 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 3 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 3 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 3 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 3 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 3 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 3 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 3 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 3 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 3 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 3 *82 Er 0.11111111111111 0.22222222222222 0.16666666666667 167.259 > 4 83 Er 0.44444444444444 0.22222222222222 0.16666666666667 167.259 > 4 84 Er 0.77777777777778 0.22222222222222 0.16666666666667 167.259 > 4 85 Er 0.11111111111111 0.55555555555556 0.16666666666667 167.259 > 4 86 Er 0.44444444444444 0.55555555555556 0.16666666666667 167.259 > 4 87 Er 0.77777777777778 0.55555555555556 0.16666666666667 167.259 > 4 88 Er 0.11111111111111 0.88888888888889 0.16666666666667 167.259 > 4 89 Er 0.44444444444444 0.88888888888889 0.16666666666667 167.259 > 4 90 Er 0.77777777777778 0.88888888888889 0.16666666666667 167.259 > 4 91 Er 0.00000000000000 0.00000000000000 0.50000000000000 167.259 > 4 92 Er 0.33333333333333 0.00000000000000 0.50000000000000 167.259 > 4 93 Er 0.66666666666667 0.00000000000000 0.50000000000000 167.259 > 4 94 Er 0.00000000000000 0.33333333333333 0.50000000000000 167.259 > 4 95 Er 0.33333333333333 0.33333333333333 0.50000000000000 167.259 > 4 96 Er 0.66666666666667 0.33333333333333 0.50000000000000 167.259 > 4 97 Er 0.00000000000000 0.66666666666667 0.50000000000000 167.259 > 4 98 Er 0.33333333333333 0.66666666666667 0.50000000000000 167.259 > 4 99 Er 0.66666666666667 0.66666666666667 0.50000000000000 167.259 > 4 100 Er 0.22222222222222 0.11111111111111 0.83333333333333 167.259 > 4 101 Er 0.55555555555556 0.11111111111111 0.83333333333333 167.259 > 4 102 Er 0.88888888888889 0.11111111111111 0.83333333333333 167.259 > 4 103 Er 0.22222222222222 0.44444444444444 0.83333333333333 167.259 > 4 104 Er 0.55555555555556 0.44444444444444 0.83333333333333 167.259 > 4 105 Er 0.88888888888889 0.44444444444444 0.83333333333333 167.259 > 4 106 Er 0.22222222222222 0.77777777777778 0.83333333333333 167.259 > 4 107 Er 0.55555555555556 0.77777777777778 0.83333333333333 167.259 > 4 108 Er 0.88888888888889 0.77777777777778 0.83333333333333 167.259 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 6.4836741 0.0000000 0.0000000 0.0000000 6.4836741 0.0000000 0.0000000 0.0000000 4.7556779-------------------------- Born effective charges -------------------------- 1 Se -2.7761116 -0.0000000 0.0000000 0.0000000 -2.7761116 0.0000000 0.0000000 0.0000000 -1.8396003 2 Se -2.7761116 -0.0000000 0.0000000 0.0000000 -2.7761116 0.0000000 0.0000000 0.0000000 -1.8396003 3 Rb 1.0504507 -0.0000000 0.0000000 -0.0000000 1.0504507 0.0000000 0.0000000 0.0000000 1.9528757 4 Er 4.5017724 0.0000000 0.0000000 -0.0000000 4.5017724 0.0000000 0.0000000 0.0000000 1.7263249----------------------------------------------------------------------------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: 0.192Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.233--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 192Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 54Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (54, 51), data: True|-- (64, 64), data: True|-- (97, 94), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 23:45:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:45:54]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [3 3 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.070139421257652 1.195195552123159 7.878440893333326 b -2.070139421257647 1.195195552123159 7.878440893333326 c 0.000000000000002 -2.390391104246321 7.878440893333326Atomic positions (fractional): 1 Se 0.76845780065403 0.76845780065403 0.76845780065403 78.960 2 Se 0.23154219934597 0.23154219934597 0.23154219934597 78.960 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Er 0.50000000000000 0.50000000000000 0.50000000000000 167.259-------------------------------- supercell ---------------------------------Lattice vectors: a 12.420836527545896 0.000000000000000 0.000000000000000 b -6.210418263772947 10.756759969108440 0.000000000000000 c 0.000000000000000 0.000000000000000 23.635322680000002Atomic positions (fractional): 1 Se 0.22222222222222 0.11111111111111 0.10179113398736 78.960 > 1 2 Se 0.55555555555556 0.11111111111111 0.10179113398736 78.960 > 1 3 Se 0.88888888888889 0.11111111111111 0.10179113398736 78.960 > 1 4 Se 0.22222222222222 0.44444444444444 0.10179113398736 78.960 > 1 5 Se 0.55555555555556 0.44444444444444 0.10179113398736 78.960 > 1 6 Se 0.88888888888889 0.44444444444444 0.10179113398736 78.960 > 1 7 Se 0.22222222222222 0.77777777777778 0.10179113398736 78.960 > 1 8 Se 0.55555555555556 0.77777777777778 0.10179113398736 78.960 > 1 9 Se 0.88888888888889 0.77777777777778 0.10179113398736 78.960 > 1 10 Se 0.00000000000000 0.00000000000000 0.23154219934597 78.960 > 10 11 Se 0.33333333333333 0.00000000000000 0.23154219934597 78.960 > 10 12 Se 0.66666666666667 0.00000000000000 0.23154219934597 78.960 > 10 13 Se 0.00000000000000 0.33333333333333 0.23154219934597 78.960 > 10 14 Se 0.33333333333333 0.33333333333333 0.23154219934597 78.960 > 10 15 Se 0.66666666666667 0.33333333333333 0.23154219934597 78.960 > 10 16 Se 0.00000000000000 0.66666666666667 0.23154219934597 78.960 > 10 17 Se 0.33333333333333 0.66666666666667 0.23154219934597 78.960 > 10 18 Se 0.66666666666667 0.66666666666667 0.23154219934597 78.960 > 10 19 Se 0.11111111111111 0.22222222222222 0.43512446732069 78.960 > 1 20 Se 0.44444444444444 0.22222222222222 0.43512446732069 78.960 > 1 21 Se 0.77777777777778 0.22222222222222 0.43512446732069 78.960 > 1 22 Se 0.11111111111111 0.55555555555556 0.43512446732069 78.960 > 1 23 Se 0.44444444444444 0.55555555555556 0.43512446732069 78.960 > 1 24 Se 0.77777777777778 0.55555555555556 0.43512446732069 78.960 > 1 25 Se 0.11111111111111 0.88888888888889 0.43512446732069 78.960 > 1 26 Se 0.44444444444444 0.88888888888889 0.43512446732069 78.960 > 1 27 Se 0.77777777777778 0.88888888888889 0.43512446732069 78.960 > 1 28 Se 0.22222222222222 0.11111111111111 0.56487553267931 78.960 > 10 29 Se 0.55555555555556 0.11111111111111 0.56487553267931 78.960 > 10 30 Se 0.88888888888889 0.11111111111111 0.56487553267931 78.960 > 10 31 Se 0.22222222222222 0.44444444444444 0.56487553267931 78.960 > 10 32 Se 0.55555555555556 0.44444444444444 0.56487553267931 78.960 > 10 33 Se 0.88888888888889 0.44444444444444 0.56487553267931 78.960 > 10 34 Se 0.22222222222222 0.77777777777778 0.56487553267931 78.960 > 10 35 Se 0.55555555555556 0.77777777777778 0.56487553267931 78.960 > 10 36 Se 0.88888888888889 0.77777777777778 0.56487553267931 78.960 > 10 37 Se 0.00000000000000 0.00000000000000 0.76845780065403 78.960 > 1 38 Se 0.33333333333333 0.00000000000000 0.76845780065403 78.960 > 1 39 Se 0.66666666666667 0.00000000000000 0.76845780065403 78.960 > 1 40 Se 0.00000000000000 0.33333333333333 0.76845780065403 78.960 > 1 41 Se 0.33333333333333 0.33333333333333 0.76845780065403 78.960 > 1 42 Se 0.66666666666667 0.33333333333333 0.76845780065403 78.960 > 1 43 Se 0.00000000000000 0.66666666666667 0.76845780065403 78.960 > 1 44 Se 0.33333333333333 0.66666666666667 0.76845780065403 78.960 > 1 45 Se 0.66666666666667 0.66666666666667 0.76845780065403 78.960 > 1 46 Se 0.11111111111111 0.22222222222222 0.89820886601264 78.960 > 10 47 Se 0.44444444444444 0.22222222222222 0.89820886601264 78.960 > 10 48 Se 0.77777777777778 0.22222222222222 0.89820886601264 78.960 > 10 49 Se 0.11111111111111 0.55555555555556 0.89820886601264 78.960 > 10 50 Se 0.44444444444444 0.55555555555556 0.89820886601264 78.960 > 10 51 Se 0.77777777777778 0.55555555555556 0.89820886601264 78.960 > 10 52 Se 0.11111111111111 0.88888888888889 0.89820886601264 78.960 > 10 53 Se 0.44444444444444 0.88888888888889 0.89820886601264 78.960 > 10 54 Se 0.77777777777778 0.88888888888889 0.89820886601264 78.960 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Er 0.11111111111111 0.22222222222222 0.16666666666667 167.259 > 82 83 Er 0.44444444444444 0.22222222222222 0.16666666666667 167.259 > 82 84 Er 0.77777777777778 0.22222222222222 0.16666666666667 167.259 > 82 85 Er 0.11111111111111 0.55555555555556 0.16666666666667 167.259 > 82 86 Er 0.44444444444444 0.55555555555556 0.16666666666667 167.259 > 82 87 Er 0.77777777777778 0.55555555555556 0.16666666666667 167.259 > 82 88 Er 0.11111111111111 0.88888888888889 0.16666666666667 167.259 > 82 89 Er 0.44444444444444 0.88888888888889 0.16666666666667 167.259 > 82 90 Er 0.77777777777778 0.88888888888889 0.16666666666667 167.259 > 82 91 Er 0.00000000000000 0.00000000000000 0.50000000000000 167.259 > 82 92 Er 0.33333333333333 0.00000000000000 0.50000000000000 167.259 > 82 93 Er 0.66666666666667 0.00000000000000 0.50000000000000 167.259 > 82 94 Er 0.00000000000000 0.33333333333333 0.50000000000000 167.259 > 82 95 Er 0.33333333333333 0.33333333333333 0.50000000000000 167.259 > 82 96 Er 0.66666666666667 0.33333333333333 0.50000000000000 167.259 > 82 97 Er 0.00000000000000 0.66666666666667 0.50000000000000 167.259 > 82 98 Er 0.33333333333333 0.66666666666667 0.50000000000000 167.259 > 82 99 Er 0.66666666666667 0.66666666666667 0.50000000000000 167.259 > 82 100 Er 0.22222222222222 0.11111111111111 0.83333333333333 167.259 > 82 101 Er 0.55555555555556 0.11111111111111 0.83333333333333 167.259 > 82 102 Er 0.88888888888889 0.11111111111111 0.83333333333333 167.259 > 82 103 Er 0.22222222222222 0.44444444444444 0.83333333333333 167.259 > 82 104 Er 0.55555555555556 0.44444444444444 0.83333333333333 167.259 > 82 105 Er 0.88888888888889 0.44444444444444 0.83333333333333 167.259 > 82 106 Er 0.22222222222222 0.77777777777778 0.83333333333333 167.259 > 82 107 Er 0.55555555555556 0.77777777777778 0.83333333333333 167.259 > 82 108 Er 0.88888888888889 0.77777777777778 0.83333333333333 167.259 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 6.4836741 0.0000000 0.0000000 0.0000000 6.4836741 0.0000000 0.0000000 0.0000000 4.7556779-------------------------- Born effective charges -------------------------- 1 Se -2.7761116 -0.0000000 0.0000000 0.0000000 -2.7761116 0.0000000 0.0000000 0.0000000 -1.8396003 2 Se -2.7761116 -0.0000000 0.0000000 0.0000000 -2.7761116 0.0000000 0.0000000 0.0000000 -1.8396003 3 Rb 1.0504507 -0.0000000 0.0000000 -0.0000000 1.0504507 0.0000000 0.0000000 0.0000000 1.9528757 4 Er 4.5017724 0.0000000 0.0000000 -0.0000000 4.5017724 0.0000000 0.0000000 0.0000000 1.7263249----------------------------------------------------------------------------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 (xxz) -0.00000000 (xxz) -0.00000000 (xzx)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:45:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:45:59]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [3 3 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.070139421257652 1.195195552123159 7.878440893333326 b -2.070139421257647 1.195195552123159 7.878440893333326 c 0.000000000000002 -2.390391104246321 7.878440893333326Atomic positions (fractional): 1 Se 0.76845780065403 0.76845780065403 0.76845780065403 78.960 2 Se 0.23154219934597 0.23154219934597 0.23154219934597 78.960 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Er 0.50000000000000 0.50000000000000 0.50000000000000 167.259-------------------------------- supercell ---------------------------------Lattice vectors: a 12.420836527545896 0.000000000000000 0.000000000000000 b -6.210418263772947 10.756759969108440 0.000000000000000 c 0.000000000000000 0.000000000000000 23.635322680000002Atomic positions (fractional): 1 Se 0.22222222222222 0.11111111111111 0.10179113398736 78.960 > 1 2 Se 0.55555555555556 0.11111111111111 0.10179113398736 78.960 > 1 3 Se 0.88888888888889 0.11111111111111 0.10179113398736 78.960 > 1 4 Se 0.22222222222222 0.44444444444444 0.10179113398736 78.960 > 1 5 Se 0.55555555555556 0.44444444444444 0.10179113398736 78.960 > 1 6 Se 0.88888888888889 0.44444444444444 0.10179113398736 78.960 > 1 7 Se 0.22222222222222 0.77777777777778 0.10179113398736 78.960 > 1 8 Se 0.55555555555556 0.77777777777778 0.10179113398736 78.960 > 1 9 Se 0.88888888888889 0.77777777777778 0.10179113398736 78.960 > 1 10 Se 0.00000000000000 0.00000000000000 0.23154219934597 78.960 > 10 11 Se 0.33333333333333 0.00000000000000 0.23154219934597 78.960 > 10 12 Se 0.66666666666667 0.00000000000000 0.23154219934597 78.960 > 10 13 Se 0.00000000000000 0.33333333333333 0.23154219934597 78.960 > 10 14 Se 0.33333333333333 0.33333333333333 0.23154219934597 78.960 > 10 15 Se 0.66666666666667 0.33333333333333 0.23154219934597 78.960 > 10 16 Se 0.00000000000000 0.66666666666667 0.23154219934597 78.960 > 10 17 Se 0.33333333333333 0.66666666666667 0.23154219934597 78.960 > 10 18 Se 0.66666666666667 0.66666666666667 0.23154219934597 78.960 > 10 19 Se 0.11111111111111 0.22222222222222 0.43512446732069 78.960 > 1 20 Se 0.44444444444444 0.22222222222222 0.43512446732069 78.960 > 1 21 Se 0.77777777777778 0.22222222222222 0.43512446732069 78.960 > 1 22 Se 0.11111111111111 0.55555555555556 0.43512446732069 78.960 > 1 23 Se 0.44444444444444 0.55555555555556 0.43512446732069 78.960 > 1 24 Se 0.77777777777778 0.55555555555556 0.43512446732069 78.960 > 1 25 Se 0.11111111111111 0.88888888888889 0.43512446732069 78.960 > 1 26 Se 0.44444444444444 0.88888888888889 0.43512446732069 78.960 > 1 27 Se 0.77777777777778 0.88888888888889 0.43512446732069 78.960 > 1 28 Se 0.22222222222222 0.11111111111111 0.56487553267931 78.960 > 10 29 Se 0.55555555555556 0.11111111111111 0.56487553267931 78.960 > 10 30 Se 0.88888888888889 0.11111111111111 0.56487553267931 78.960 > 10 31 Se 0.22222222222222 0.44444444444444 0.56487553267931 78.960 > 10 32 Se 0.55555555555556 0.44444444444444 0.56487553267931 78.960 > 10 33 Se 0.88888888888889 0.44444444444444 0.56487553267931 78.960 > 10 34 Se 0.22222222222222 0.77777777777778 0.56487553267931 78.960 > 10 35 Se 0.55555555555556 0.77777777777778 0.56487553267931 78.960 > 10 36 Se 0.88888888888889 0.77777777777778 0.56487553267931 78.960 > 10 37 Se 0.00000000000000 0.00000000000000 0.76845780065403 78.960 > 1 38 Se 0.33333333333333 0.00000000000000 0.76845780065403 78.960 > 1 39 Se 0.66666666666667 0.00000000000000 0.76845780065403 78.960 > 1 40 Se 0.00000000000000 0.33333333333333 0.76845780065403 78.960 > 1 41 Se 0.33333333333333 0.33333333333333 0.76845780065403 78.960 > 1 42 Se 0.66666666666667 0.33333333333333 0.76845780065403 78.960 > 1 43 Se 0.00000000000000 0.66666666666667 0.76845780065403 78.960 > 1 44 Se 0.33333333333333 0.66666666666667 0.76845780065403 78.960 > 1 45 Se 0.66666666666667 0.66666666666667 0.76845780065403 78.960 > 1 46 Se 0.11111111111111 0.22222222222222 0.89820886601264 78.960 > 10 47 Se 0.44444444444444 0.22222222222222 0.89820886601264 78.960 > 10 48 Se 0.77777777777778 0.22222222222222 0.89820886601264 78.960 > 10 49 Se 0.11111111111111 0.55555555555556 0.89820886601264 78.960 > 10 50 Se 0.44444444444444 0.55555555555556 0.89820886601264 78.960 > 10 51 Se 0.77777777777778 0.55555555555556 0.89820886601264 78.960 > 10 52 Se 0.11111111111111 0.88888888888889 0.89820886601264 78.960 > 10 53 Se 0.44444444444444 0.88888888888889 0.89820886601264 78.960 > 10 54 Se 0.77777777777778 0.88888888888889 0.89820886601264 78.960 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Er 0.11111111111111 0.22222222222222 0.16666666666667 167.259 > 82 83 Er 0.44444444444444 0.22222222222222 0.16666666666667 167.259 > 82 84 Er 0.77777777777778 0.22222222222222 0.16666666666667 167.259 > 82 85 Er 0.11111111111111 0.55555555555556 0.16666666666667 167.259 > 82 86 Er 0.44444444444444 0.55555555555556 0.16666666666667 167.259 > 82 87 Er 0.77777777777778 0.55555555555556 0.16666666666667 167.259 > 82 88 Er 0.11111111111111 0.88888888888889 0.16666666666667 167.259 > 82 89 Er 0.44444444444444 0.88888888888889 0.16666666666667 167.259 > 82 90 Er 0.77777777777778 0.88888888888889 0.16666666666667 167.259 > 82 91 Er 0.00000000000000 0.00000000000000 0.50000000000000 167.259 > 82 92 Er 0.33333333333333 0.00000000000000 0.50000000000000 167.259 > 82 93 Er 0.66666666666667 0.00000000000000 0.50000000000000 167.259 > 82 94 Er 0.00000000000000 0.33333333333333 0.50000000000000 167.259 > 82 95 Er 0.33333333333333 0.33333333333333 0.50000000000000 167.259 > 82 96 Er 0.66666666666667 0.33333333333333 0.50000000000000 167.259 > 82 97 Er 0.00000000000000 0.66666666666667 0.50000000000000 167.259 > 82 98 Er 0.33333333333333 0.66666666666667 0.50000000000000 167.259 > 82 99 Er 0.66666666666667 0.66666666666667 0.50000000000000 167.259 > 82 100 Er 0.22222222222222 0.11111111111111 0.83333333333333 167.259 > 82 101 Er 0.55555555555556 0.11111111111111 0.83333333333333 167.259 > 82 102 Er 0.88888888888889 0.11111111111111 0.83333333333333 167.259 > 82 103 Er 0.22222222222222 0.44444444444444 0.83333333333333 167.259 > 82 104 Er 0.55555555555556 0.44444444444444 0.83333333333333 167.259 > 82 105 Er 0.88888888888889 0.44444444444444 0.83333333333333 167.259 > 82 106 Er 0.22222222222222 0.77777777777778 0.83333333333333 167.259 > 82 107 Er 0.55555555555556 0.77777777777778 0.83333333333333 167.259 > 82 108 Er 0.88888888888889 0.77777777777778 0.83333333333333 167.259 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 6.4836741 0.0000000 0.0000000 0.0000000 6.4836741 0.0000000 0.0000000 0.0000000 4.7556779-------------------------- Born effective charges -------------------------- 1 Se -2.7761116 -0.0000000 0.0000000 0.0000000 -2.7761116 0.0000000 0.0000000 0.0000000 -1.8396003 2 Se -2.7761116 -0.0000000 0.0000000 0.0000000 -2.7761116 0.0000000 0.0000000 0.0000000 -1.8396003 3 Rb 1.0504507 -0.0000000 0.0000000 -0.0000000 1.0504507 0.0000000 0.0000000 0.0000000 1.9528757 4 Er 4.5017724 0.0000000 0.0000000 -0.0000000 4.5017724 0.0000000 0.0000000 0.0000000 1.7263249----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (xxz) -0.00000000 (xxz) -0.00000000 (xzx)Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 14 14 14 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.85, Number of G-points: 301, Lambda: 0.22Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/288) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.049 ( 0.000 0.000 0.000) 0.000 2.049 ( 0.000 0.000 0.000) 0.000 3.253 ( 0.000 0.000 0.000) 0.000 3.683 ( 0.000 0.000 0.000) 0.000 3.683 ( 0.000 0.000 0.000) 0.000 3.881 ( 0.000 0.000 0.000) 0.000 3.881 ( 0.000 0.000 0.000) 0.000 4.936 ( 0.000 0.000 0.000) 0.000 5.168 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/288) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.341 ( 15.678 9.051 -5.150) 18.821 0.377 ( 17.102 9.874 -5.049) 20.383 0.750 ( 30.514 17.617 12.394) 37.350 2.053 ( 0.164 0.095 1.125) 1.141 2.083 ( 3.100 1.790 -2.641) 4.448 3.215 ( -3.248 -1.876 0.243) 3.759 3.690 ( 0.560 0.323 0.289) 0.708 3.875 ( -0.457 -0.264 -0.227) 0.575 3.941 ( 4.766 2.752 0.831) 5.566 4.906 ( -2.130 -1.230 -2.212) 3.308 5.100 ( -3.442 -1.987 -5.884) 7.101 5.698 ( -2.687 -1.551 -0.999) 3.259======================= Grid point 2 (3/288) =======================q-point: ( 0.14 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.692 ( 16.123 9.309 -5.274) 19.350 0.754 ( 17.051 9.844 -6.584) 20.760 1.467 ( 28.543 16.479 10.053) 34.457 2.062 ( 0.215 0.124 2.267) 2.281 2.160 ( 4.264 2.462 -4.970) 6.996 3.124 ( -4.426 -2.556 1.126) 5.234 3.711 ( 1.259 0.727 0.382) 1.503 3.862 ( -0.514 -0.297 -0.362) 0.695 4.078 ( 6.237 3.601 1.318) 7.322 4.836 ( -3.101 -1.790 -3.055) 4.707 4.951 ( -9.254 -5.343 4.964) 11.782 5.607 ( -3.997 -2.308 -7.032) 8.412======================= Grid point 3 (4/288) =======================q-point: ( 0.21 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.046 ( 15.958 9.213 -5.620) 19.265 1.115 ( 16.122 9.308 -8.544) 20.483 2.075 ( 0.103 0.059 3.460) 3.462 2.091 ( 21.635 12.491 0.469) 24.986 2.252 ( 6.528 3.769 -0.145) 7.539 3.033 ( -4.095 -2.364 5.625) 7.348 3.750 ( 2.038 1.177 0.288) 2.371 3.853 ( -0.110 -0.063 -0.408) 0.427 4.210 ( 4.459 2.574 0.686) 5.194 4.707 ( -11.397 -6.580 3.936) 13.736 4.764 ( -3.852 -2.224 0.337) 4.460 5.479 ( -4.861 -2.807 -8.844) 10.474======================= Grid point 4 (5/288) =======================q-point: ( 0.29 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.381 ( 14.504 8.374 -6.234) 17.871 1.436 ( 14.079 8.128 -10.108) 19.143 2.087 ( -0.190 -0.109 4.726) 4.731 2.267 ( 4.054 2.341 -8.399) 9.616 2.628 ( 14.955 8.635 5.446) 18.107 2.982 ( -1.916 -1.106 11.433) 11.645 3.805 ( 2.564 1.480 0.238) 2.970 3.855 ( 0.452 0.261 -0.494) 0.719 4.266 ( -0.168 -0.097 -0.960) 0.980 4.454 ( -10.305 -5.949 5.038) 12.921 4.700 ( -1.624 -0.938 -1.884) 2.658 5.340 ( -4.903 -2.831 -7.583) 9.463======================= Grid point 5 (6/288) =======================q-point: ( 0.36 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.664 ( 11.552 6.670 -6.921) 15.028 1.697 ( 11.272 6.508 -9.720) 16.245 2.093 ( -0.716 -0.413 5.938) 5.995 2.348 ( 4.816 2.780 -4.117) 6.919 2.775 ( -2.281 -1.317 6.813) 7.305 3.062 ( 4.182 2.414 7.059) 8.552 3.863 ( 1.663 0.960 1.386) 2.368 3.870 ( 1.523 0.879 -1.671) 2.426 4.183 ( -5.136 -2.965 1.578) 6.137 4.318 ( -3.224 -1.862 -0.565) 3.766 4.692 ( 1.742 1.006 -1.768) 2.678 5.211 ( -4.814 -2.779 -4.645) 7.244======================= Grid point 6 (7/288) =======================q-point: ( 0.43 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.862 ( 7.206 4.161 -6.582) 10.609 1.894 ( 7.668 4.427 -6.310) 10.872 2.088 ( -1.355 -0.782 6.085) 6.283 2.448 ( 3.789 2.187 -1.624) 4.667 2.702 ( -4.250 -2.454 7.715) 9.144 3.102 ( -1.327 -0.766 0.577) 1.637 3.881 ( 0.486 0.280 0.100) 0.569 3.914 ( 1.571 0.907 -0.282) 1.836 4.114 ( -1.406 -0.812 1.470) 2.190 4.252 ( -2.109 -1.218 -1.766) 3.008 4.773 ( 5.277 3.047 -0.560) 6.119 5.084 ( -5.419 -3.128 -2.160) 6.619======================= Grid point 7 (8/288) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.941 ( -0.000 -0.000 0.000) 0.000 1.982 ( 0.000 0.000 -0.000) 0.000 2.076 ( 0.000 0.000 0.000) 0.000 2.483 ( -0.000 -0.000 0.000) 0.000 2.670 ( 0.000 0.000 0.000) 0.000 3.072 ( 0.000 0.000 0.000) 0.000 3.887 ( 0.000 0.000 0.000) 0.000 3.932 ( 0.000 0.000 0.000) 0.000 4.104 ( 0.000 0.000 0.000) 0.000 4.223 ( 0.000 0.000 0.000) 0.000 4.878 ( 0.000 0.000 0.000) 0.000 4.977 ( 0.000 0.000 -0.000) 0.000======================= Grid point 16 (9/288) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.428 ( -0.000 17.571 13.033) 21.877 0.454 ( -0.000 20.437 8.001) 21.947 0.702 ( -0.000 33.555 4.463) 33.850 2.033 ( 0.000 -0.621 -3.271) 3.330 2.096 ( -0.000 4.413 0.257) 4.421 3.211 ( 0.000 -4.601 -0.475) 4.625 3.685 ( 0.000 0.446 -0.760) 0.881 3.880 ( -0.000 -0.315 0.949) 1.000 3.933 ( 0.000 5.177 -1.102) 5.293 4.889 ( 0.000 -1.922 -8.839) 9.045 5.052 ( 0.000 -0.411 -11.055) 11.062 5.730 ( -0.000 -3.284 4.534) 5.598======================= Grid point 17 (10/288) =======================q-point: ( 0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.564 ( 1.693 16.002 9.485) 18.679 0.785 ( 6.004 22.750 -2.618) 23.675 1.263 ( 20.978 25.328 9.260) 34.166 2.036 ( 2.344 -0.756 -3.215) 4.049 2.149 ( 0.328 5.331 -1.052) 5.444 3.138 ( -1.812 -5.243 -1.511) 5.749 3.698 ( 0.980 0.559 -0.403) 1.198 3.870 ( -0.729 -0.049 0.438) 0.852 4.032 ( 4.387 5.513 0.097) 7.046 4.831 ( -0.715 -3.422 -7.111) 7.924 4.997 ( -2.008 -6.718 1.512) 7.173 5.649 ( -5.399 -2.464 -2.083) 6.289======================= Grid point 18 (11/288) =======================q-point: ( 0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.838 ( 10.530 12.178 2.810) 16.342 1.102 ( 6.836 20.903 -5.815) 22.748 1.878 ( 19.824 18.067 3.298) 27.024 2.085 ( 3.943 2.527 1.912) 5.058 2.203 ( 1.512 4.051 -2.586) 5.038 3.054 ( -1.467 -5.235 1.410) 5.616 3.726 ( 1.693 0.627 -0.005) 1.805 3.862 ( -0.581 0.585 0.063) 0.827 4.164 ( 4.539 3.847 0.554) 5.976 4.755 ( -1.885 -4.066 -4.274) 6.193 4.854 ( -7.200 -7.245 6.006) 11.849 5.504 ( -5.901 -3.625 -7.026) 9.865======================= Grid point 19 (12/288) =======================q-point: ( 0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.157 ( 13.124 9.393 -1.609) 16.219 1.396 ( 7.291 17.538 -7.443) 20.400 2.093 ( 2.687 1.653 -0.952) 3.295 2.222 ( 1.328 4.991 -6.264) 8.118 2.480 ( 16.537 12.819 7.754) 22.314 3.003 ( 0.018 -4.285 6.735) 7.982 3.769 ( 2.545 0.496 0.336) 2.615 3.863 ( -0.449 1.344 -0.157) 1.425 4.246 ( 1.972 0.673 -0.684) 2.193 4.612 ( -9.808 -5.013 4.368) 11.849 4.715 ( -2.851 -2.327 -0.910) 3.791 5.345 ( -4.330 -5.360 -8.105) 10.638======================= Grid point 20 (13/288) =======================q-point: ( 0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.452 ( 12.567 6.718 -4.616) 14.979 1.654 ( 6.941 14.050 -7.517) 17.381 2.135 ( -0.535 2.480 3.340) 4.194 2.289 ( 3.919 3.865 -4.768) 7.282 2.777 ( 4.387 2.891 2.921) 6.011 3.041 ( 4.057 1.072 9.557) 10.438 3.823 ( 3.076 -0.054 1.138) 3.280 3.872 ( -0.225 1.953 -0.670) 2.076 4.235 ( -1.907 -1.921 -1.177) 2.952 4.419 ( -9.599 -0.332 2.806) 10.006 4.672 ( 0.087 -0.490 -2.051) 2.111 5.208 ( -2.394 -6.211 -5.761) 8.803======================= Grid point 21 (14/288) =======================q-point: ( 0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.690 ( 10.399 4.075 -5.667) 12.524 1.867 ( 5.488 11.156 -6.200) 13.893 2.146 ( -2.210 1.991 4.916) 5.746 2.399 ( 4.774 4.003 -2.075) 6.566 2.774 ( -3.633 -2.228 5.129) 6.668 3.126 ( 0.054 0.913 3.438) 3.558 3.869 ( 1.508 -0.455 1.929) 2.491 3.897 ( 1.246 2.265 -1.287) 2.888 4.175 ( -2.935 0.711 -0.182) 3.025 4.294 ( -5.670 0.254 -0.449) 5.693 4.707 ( 4.111 1.329 -1.257) 4.500 5.096 ( -2.232 -6.191 -2.894) 7.189======================= Grid point 22 (15/288) =======================q-point: ( 0.50 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.848 ( 6.258 0.994 -4.309) 7.663 2.018 ( 2.147 7.949 -3.725) 9.037 2.127 ( -3.353 0.990 4.519) 5.713 2.489 ( 1.477 2.528 -0.817) 3.039 2.695 ( -3.621 -1.058 1.393) 4.022 3.106 ( -2.398 0.718 2.524) 3.555 3.883 ( 0.287 -0.177 0.356) 0.490 3.932 ( 0.670 1.116 -0.178) 1.314 4.155 ( -2.419 4.040 -0.384) 4.725 4.225 ( -1.687 -0.764 -0.067) 1.853 4.815 ( 6.110 0.825 -0.032) 6.166 4.986 ( -2.779 -5.103 -1.222) 5.938======================= Grid point 23 (16/288) =======================q-point: (-0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.876 ( -1.142 -4.182 1.526) 4.596 2.046 ( -5.750 2.368 2.541) 6.717 2.095 ( -1.520 2.936 -2.023) 3.876 2.495 ( -2.289 0.268 0.525) 2.364 2.657 ( 0.355 1.781 -6.677) 6.920 3.112 ( -0.260 2.480 3.653) 4.423 3.877 ( -0.201 -1.001 -0.837) 1.320 3.936 ( -1.123 0.283 0.485) 1.255 4.154 ( -2.694 4.860 -0.599) 5.589 4.231 ( 2.131 0.691 1.229) 2.555 4.815 ( -3.480 -4.676 -0.038) 5.829 4.996 ( 6.567 0.104 0.955) 6.637======================= Grid point 24 (17/288) =======================q-point: (-0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.745 ( -7.679 -8.035 6.424) 12.837 1.921 ( -10.568 -0.142 5.303) 11.824 2.102 ( -1.245 4.057 -4.513) 6.195 2.418 ( -4.811 -2.202 2.034) 5.668 2.708 ( 4.057 3.436 -9.199) 10.625 3.110 ( -4.086 -0.016 -0.037) 4.087 3.851 ( -0.333 -2.386 -1.831) 3.026 3.909 ( -2.289 0.305 1.317) 2.658 4.172 ( 0.312 4.342 -0.768) 4.420 4.301 ( 2.498 3.710 1.044) 4.593 4.717 ( -2.656 -2.688 0.969) 3.901 5.123 ( 7.542 -0.897 2.891) 8.127======================= Grid point 25 (18/288) =======================q-point: (-0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.505 ( -12.087 -9.658 6.817) 16.907 1.722 ( -14.443 -0.093 7.247) 16.159 2.099 ( -1.791 3.334 -4.326) 5.748 2.333 ( -3.415 -1.857 4.692) 6.093 2.749 ( -3.083 -0.312 -3.397) 4.598 2.952 ( -6.896 -3.209 -9.664) 12.298 3.810 ( -0.762 -2.854 -1.523) 3.323 3.882 ( -1.938 0.919 1.358) 2.539 4.242 ( 3.001 1.430 0.467) 3.356 4.395 ( 3.303 7.209 -2.504) 8.315 4.689 ( 0.552 -0.389 1.611) 1.746 5.259 ( 7.961 -0.900 5.204) 9.554======================= Grid point 26 (19/288) =======================q-point: (-0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.189 ( -14.919 -9.912 5.304) 18.680 1.464 ( -18.489 1.084 7.313) 19.912 2.082 ( -1.804 1.691 -2.830) 3.758 2.285 ( -3.125 -1.169 6.568) 7.367 2.418 ( -23.636 -7.738 -5.298) 25.428 2.936 ( 5.748 0.266 -7.893) 9.768 3.763 ( -1.320 -1.994 -0.879) 2.548 3.868 ( -1.164 0.889 0.903) 1.720 4.250 ( -2.176 -1.497 0.070) 2.642 4.572 ( 9.279 7.370 -4.279) 12.598 4.726 ( 2.743 0.561 1.309) 3.091 5.410 ( 7.834 0.120 6.111) 9.936======================= Grid point 27 (20/288) =======================q-point: (-0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.841 ( -16.163 -7.864 3.249) 18.266 1.155 ( -21.375 2.209 5.591) 22.204 1.837 ( -30.346 -7.489 -4.484) 31.577 2.067 ( -1.392 0.521 -2.426) 2.845 2.232 ( -3.972 -1.039 3.384) 5.321 3.036 ( 6.618 0.595 -2.363) 7.053 3.724 ( -1.269 -0.884 -0.467) 1.615 3.864 ( -0.307 0.464 0.511) 0.756 4.158 ( -5.941 -1.572 -0.679) 6.183 4.792 ( 4.304 0.275 3.159) 5.346 4.799 ( 10.502 3.977 -5.309) 12.422 5.556 ( 6.397 0.744 4.276) 7.731======================= Grid point 28 (21/288) =======================q-point: (-0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.518 ( -16.088 0.000 0.000) 16.088 0.800 ( -22.677 0.000 0.000) 22.677 1.217 ( -34.224 0.000 0.000) 34.224 2.052 ( -0.422 0.000 0.000) 0.422 2.154 ( -4.783 0.000 0.000) 4.783 3.145 ( 5.600 -0.000 -0.000) 5.600 3.700 ( -0.949 0.000 0.000) 0.949 3.868 ( 0.378 -0.000 -0.000) 0.378 4.032 ( -6.950 0.000 0.000) 6.950 4.863 ( 3.643 -0.000 -0.000) 3.643 4.991 ( 9.376 -0.000 -0.000) 9.376 5.659 ( 4.069 -0.000 -0.000) 4.069======================= Grid point 31 (22/288) =======================q-point: ( 0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.856 ( -0.000 17.846 11.654) 21.314 0.909 ( -0.000 20.666 6.792) 21.754 1.384 ( -0.000 32.184 3.826) 32.411 1.987 ( 0.000 -1.106 -5.794) 5.899 2.208 ( -0.000 6.210 -0.416) 6.224 3.082 ( 0.000 -7.096 -2.982) 7.698 3.694 ( 0.000 1.155 -1.293) 1.734 3.882 ( -0.000 -0.259 1.558) 1.579 4.052 ( 0.000 7.029 -1.466) 7.181 4.760 ( 0.000 -5.254 -9.778) 11.100 4.946 ( -0.000 -7.534 3.786) 8.432 5.674 ( 0.000 -3.691 -0.265) 3.700======================= Grid point 32 (23/288) =======================q-point: ( 0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.986 ( -4.057 18.814 11.636) 22.490 1.205 ( 4.560 19.948 -0.335) 20.466 1.822 ( 11.281 25.015 1.752) 27.497 2.005 ( 5.806 1.357 -2.485) 6.459 2.255 ( -1.143 5.510 -1.730) 5.888 2.998 ( 0.095 -7.663 -1.403) 7.791 3.711 ( 0.835 1.209 -0.780) 1.664 3.879 ( -0.464 0.510 0.941) 1.167 4.144 ( 2.802 5.474 -0.720) 6.192 4.686 ( 1.379 -7.062 -6.256) 9.535 4.865 ( -2.114 -7.715 4.149) 9.011 5.571 ( -6.402 -4.004 -2.584) 7.981======================= Grid point 33 (24/288) =======================q-point: ( 0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.176 ( 1.368 16.999 7.910) 18.799 1.455 ( 4.203 17.046 -4.792) 18.199 2.029 ( 5.381 3.809 -6.863) 9.516 2.271 ( -1.656 4.304 -2.486) 5.239 2.374 ( 14.993 17.844 5.873) 24.035 2.941 ( 1.966 -6.847 2.923) 7.700 3.740 ( 1.449 0.804 0.375) 1.699 3.887 ( -0.197 1.702 0.215) 1.727 4.223 ( 1.640 1.865 -0.843) 2.623 4.628 ( 0.995 -6.608 -1.306) 6.809 4.754 ( -3.955 -4.878 2.022) 6.597 5.380 ( -8.404 -5.130 -4.981) 11.035======================= Grid point 34 (25/288) =======================q-point: ( 0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.397 ( 4.479 13.130 3.015) 14.197 1.672 ( 5.157 13.812 -5.406) 15.703 2.146 ( 4.157 5.073 -2.627) 7.065 2.283 ( -0.133 3.585 -1.621) 3.937 2.718 ( 7.459 5.726 -0.127) 9.405 2.984 ( 6.200 0.571 7.503) 9.750 3.780 ( 2.216 0.259 1.691) 2.799 3.904 ( -0.460 2.705 -0.143) 2.747 4.225 ( -0.534 -1.855 -1.668) 2.551 4.564 ( -4.165 -2.182 2.462) 5.308 4.669 ( -1.794 -1.304 -1.577) 2.721 5.177 ( -5.448 -7.196 -5.247) 10.440======================= Grid point 35 (26/288) =======================q-point: ( 0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.602 ( 5.766 9.264 -0.315) 10.916 1.876 ( 5.144 11.692 -3.945) 13.368 2.218 ( -1.196 3.875 1.959) 4.504 2.355 ( 4.266 4.146 -1.222) 6.073 2.789 ( 1.260 -1.706 1.061) 2.372 3.127 ( 2.960 3.177 2.658) 5.091 3.833 ( 2.767 0.163 2.905) 4.016 3.921 ( -0.815 2.950 -0.540) 3.107 4.183 ( -0.524 -2.278 -1.940) 3.038 4.456 ( -8.659 2.618 0.902) 9.091 4.660 ( 1.746 0.376 -1.653) 2.434 5.033 ( -0.906 -8.333 -2.987) 8.898======================= Grid point 36 (27/288) =======================q-point: ( 0.50 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.771 ( 4.869 6.068 -1.726) 7.969 2.046 ( 3.348 9.129 -2.639) 10.075 2.213 ( -3.365 1.726 3.726) 5.308 2.465 ( 3.843 2.628 -0.417) 4.674 2.768 ( -3.360 1.027 -0.136) 3.516 3.155 ( -1.169 1.020 1.057) 1.877 3.878 ( 0.838 -0.089 2.220) 2.375 3.935 ( 0.128 1.959 -0.772) 2.109 4.167 ( 1.257 -0.945 -1.576) 2.226 4.345 ( -8.063 4.693 0.267) 9.334 4.720 ( 4.770 0.238 -0.531) 4.806 4.945 ( -0.056 -7.228 -1.248) 7.336======================= Grid point 37 (28/288) =======================q-point: (-0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.860 ( 0.761 1.686 -1.370) 2.302 2.141 ( -0.719 5.268 -0.834) 5.382 2.167 ( -3.905 0.994 2.629) 4.811 2.513 ( 0.505 -0.945 -0.244) 1.099 2.711 ( -4.867 5.144 -5.144) 8.752 3.166 ( -0.408 2.793 4.647) 5.437 3.872 ( -0.801 -0.899 -0.639) 1.363 3.953 ( 0.053 0.824 0.360) 0.900 4.191 ( 2.302 -1.316 0.689) 2.740 4.287 ( -5.103 7.600 -0.396) 9.163 4.782 ( 2.227 -3.961 0.051) 4.544 4.896 ( 2.758 -3.315 -0.287) 4.322======================= Grid point 38 (29/288) =======================q-point: (-0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.810 ( -5.218 -3.356 1.905) 6.490 2.076 ( -6.905 0.181 0.813) 6.955 2.174 ( -1.778 4.763 -0.057) 5.084 2.465 ( -2.926 -3.152 -0.392) 4.318 2.696 ( -1.199 5.866 -7.200) 9.364 3.196 ( -2.706 3.018 4.776) 6.265 3.834 ( -1.221 -2.168 -2.213) 3.330 3.952 ( -1.313 0.949 0.935) 1.871 4.198 ( 0.183 -1.228 1.473) 1.926 4.337 ( 0.188 9.409 -0.529) 9.426 4.728 ( -1.844 -3.631 0.254) 4.080 4.968 ( 7.758 -3.630 1.146) 8.642======================= Grid point 39 (30/288) =======================q-point: (-0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.643 ( -10.051 -5.020 3.948) 11.908 1.935 ( -9.455 -0.375 1.738) 9.621 2.185 ( -2.996 5.414 -0.792) 6.238 2.373 ( -3.274 -3.345 0.671) 4.729 2.728 ( 1.917 2.916 -5.657) 6.647 3.104 ( -11.433 -0.504 0.275) 11.447 3.786 ( -0.617 -2.412 -1.837) 3.094 3.935 ( -2.222 1.332 0.963) 2.763 4.209 ( 1.871 -0.360 0.737) 2.043 4.437 ( 0.733 8.501 -1.122) 8.606 4.683 ( -0.433 -1.302 0.838) 1.608 5.088 ( 9.982 -3.787 2.608) 10.990======================= Grid point 40 (31/288) =======================q-point: (-0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.394 ( -14.562 -3.880 2.732) 15.315 1.753 ( -12.463 0.061 2.470) 12.705 2.159 ( -4.697 3.349 -1.099) 5.873 2.312 ( -1.132 -2.128 1.712) 2.957 2.749 ( -12.850 0.611 3.617) 13.364 2.835 ( -3.811 -2.417 -8.704) 9.804 3.756 ( -0.395 -1.398 -0.750) 1.635 3.910 ( -2.200 0.906 0.564) 2.445 4.244 ( 1.616 -0.557 0.332) 1.741 4.525 ( 2.735 5.096 -1.822) 6.064 4.691 ( 1.711 -0.198 0.744) 1.876 5.252 ( 10.814 -1.500 2.620) 11.228======================= Grid point 41 (32/288) =======================q-point: (-0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.100 ( -16.926 0.000 0.000) 16.926 1.506 ( -17.027 0.000 0.000) 17.027 2.103 ( -3.060 0.000 0.000) 3.060 2.267 ( -8.534 0.000 0.000) 8.534 2.333 ( -22.022 0.000 0.000) 22.022 2.911 ( 7.112 -0.000 -0.000) 7.112 3.737 ( -0.901 0.000 0.000) 0.901 3.883 ( -1.461 0.000 0.000) 1.461 4.231 ( -2.944 0.000 0.000) 2.944 4.642 ( 8.268 -0.000 -0.000) 8.268 4.735 ( 3.179 -0.000 -0.000) 3.179 5.427 ( 9.329 -0.000 -0.000) 9.329======================= Grid point 46 (33/288) =======================q-point: ( 0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.274 ( -0.000 17.435 9.203) 19.715 1.349 ( -0.000 19.556 4.882) 20.156 1.924 ( 0.000 -1.264 -6.655) 6.774 2.019 ( -0.000 29.095 2.910) 29.240 2.311 ( 0.000 4.673 -3.970) 6.131 2.907 ( 0.000 -8.779 -0.261) 8.782 3.717 ( 0.000 2.070 -1.457) 2.532 3.890 ( -0.000 0.173 1.619) 1.628 4.175 ( 0.000 5.796 -1.596) 6.011 4.566 ( 0.000 -9.673 -4.297) 10.584 4.821 ( -0.000 -6.467 2.623) 6.979 5.580 ( 0.000 -5.114 -1.852) 5.439======================= Grid point 47 (34/288) =======================q-point: ( 0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.428 ( -4.091 18.280 10.575) 21.511 1.553 ( 1.207 14.685 -2.088) 14.881 1.948 ( 5.398 2.125 -5.884) 8.263 2.320 ( -0.632 3.098 -3.119) 4.441 2.382 ( 7.981 22.235 -0.734) 23.635 2.842 ( 1.757 -7.192 4.422) 8.624 3.739 ( 0.385 2.031 -0.568) 2.144 3.900 ( 0.267 0.891 0.956) 1.334 4.227 ( 0.448 3.160 -1.518) 3.534 4.489 ( 3.724 -9.577 -1.411) 10.372 4.756 ( -1.622 -4.480 0.767) 4.826 5.458 ( -6.629 -5.664 -2.689) 9.124======================= Grid point 48 (35/288) =======================q-point: ( 0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.552 ( -3.221 14.018 6.303) 15.703 1.712 ( 3.738 12.340 -2.524) 13.138 2.094 ( 6.987 6.228 -3.568) 10.017 2.320 ( -0.442 2.394 -3.667) 4.402 2.639 ( 5.406 1.945 -2.863) 6.419 2.920 ( 6.704 6.838 7.866) 12.392 3.767 ( 0.795 1.410 1.433) 2.162 3.925 ( 0.788 1.799 0.185) 1.973 4.223 ( -1.434 -0.943 -1.728) 2.436 4.498 ( 5.644 -5.734 0.125) 8.046 4.690 ( -2.098 -1.822 -0.684) 2.862 5.242 ( -9.867 -6.176 -3.240) 12.082======================= Grid point 49 (36/288) =======================q-point: ( 0.43 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.661 ( 0.737 10.297 3.010) 10.753 1.902 ( 4.052 11.725 -0.173) 12.407 2.251 ( 3.851 6.013 -1.889) 7.386 2.340 ( 0.987 2.442 0.383) 2.662 2.692 ( 5.853 -4.465 -2.099) 7.655 3.125 ( 3.675 7.788 1.557) 8.751 3.807 ( 1.750 0.924 3.228) 3.786 3.957 ( 0.268 2.369 -0.007) 2.384 4.170 ( -1.733 -2.032 -1.985) 3.328 4.538 ( 2.405 -1.682 0.232) 2.944 4.652 ( -1.112 0.619 -1.437) 1.920 5.007 ( -7.549 -7.128 -2.397) 10.655======================= Grid point 50 (37/288) =======================q-point: ( 0.50 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.794 ( 2.008 8.842 2.527) 9.413 2.069 ( 3.471 8.651 -0.421) 9.331 2.295 ( -2.653 2.258 2.007) 4.020 2.417 ( 3.907 1.526 0.785) 4.267 2.770 ( 5.508 1.238 -2.126) 6.033 3.185 ( -1.527 2.546 -2.715) 4.023 3.860 ( 2.088 0.404 3.209) 3.850 3.971 ( -1.484 1.987 0.029) 2.480 4.128 ( 0.207 -1.831 -1.801) 2.577 4.523 ( -5.284 3.551 -0.194) 6.369 4.660 ( 1.992 0.136 -1.190) 2.325 4.859 ( -0.476 -7.356 -0.568) 7.393======================= Grid point 51 (38/288) =======================q-point: ( 0.57 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.894 ( -0.358 5.959 1.196) 6.089 2.183 ( 1.593 5.349 -0.457) 5.600 2.251 ( -4.061 0.256 2.582) 4.819 2.470 ( 2.093 -1.986 0.040) 2.886 2.848 ( -2.574 8.178 -4.062) 9.487 3.179 ( 1.634 0.528 0.496) 1.788 3.886 ( -0.770 0.029 0.816) 1.122 3.956 ( -0.438 0.043 0.296) 0.531 4.132 ( 2.352 -1.742 -0.162) 2.931 4.462 ( -6.342 6.604 -0.461) 9.168 4.697 ( 3.136 -2.400 -0.234) 3.956 4.817 ( 1.918 -4.836 -0.103) 5.204======================= Grid point 52 (39/288) =======================q-point: (-0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.887 ( -4.909 1.045 0.462) 5.040 2.181 ( -4.803 0.557 0.341) 4.847 2.236 ( -0.468 3.332 0.917) 3.487 2.454 ( -0.290 -3.591 -1.037) 3.749 2.819 ( -6.685 7.097 -4.974) 10.945 3.254 ( 2.281 2.786 4.396) 5.683 3.843 ( -2.638 -1.190 -1.577) 3.296 3.968 ( 0.830 0.251 0.813) 1.189 4.156 ( 2.198 -2.459 1.154) 3.494 4.458 ( -2.796 9.093 -0.672) 9.537 4.703 ( 0.902 -3.177 0.149) 3.305 4.820 ( 4.067 -4.646 0.112) 6.176======================= Grid point 53 (40/288) =======================q-point: (-0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.771 ( -7.847 -1.317 0.868) 8.004 2.078 ( -7.390 -0.014 0.027) 7.390 2.266 ( -0.411 3.773 0.799) 3.879 2.389 ( -2.817 -3.401 -1.044) 4.538 2.760 ( -3.880 2.855 -2.897) 5.622 3.271 ( -5.475 1.696 2.490) 6.249 3.782 ( -1.854 -1.387 -1.421) 2.716 3.978 ( -0.823 0.872 0.473) 1.289 4.169 ( 1.831 -1.520 0.699) 2.480 4.518 ( -0.882 7.235 -0.566) 7.310 4.681 ( -0.488 -1.318 0.277) 1.432 4.881 ( 8.819 -4.463 0.697) 9.909======================= Grid point 54 (41/288) =======================q-point: (-0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.604 ( -11.036 0.000 0.000) 11.036 1.935 ( -9.060 0.000 0.000) 9.060 2.280 ( -5.995 0.000 0.000) 5.995 2.301 ( 0.460 -0.000 -0.000) 0.460 2.743 ( 1.103 -0.000 -0.000) 1.103 3.099 ( -15.329 0.000 0.000) 15.329 3.753 ( -0.494 0.000 0.000) 0.494 3.956 ( -2.208 0.000 0.000) 2.208 4.202 ( 2.547 -0.000 -0.000) 2.547 4.538 ( -0.639 0.000 0.000) 0.639 4.672 ( 0.320 -0.000 -0.000) 0.320 5.045 ( 11.853 -0.000 -0.000) 11.853======================= Grid point 61 (42/288) =======================q-point: ( 0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.640 ( -0.000 14.135 2.761) 14.402 1.724 ( -0.000 15.298 1.075) 15.336 1.874 ( 0.000 0.380 -2.415) 2.445 2.323 ( 0.000 0.679 -9.201) 9.226 2.518 ( -0.000 14.763 -1.010) 14.797 2.804 ( -0.000 1.231 10.096) 10.170 3.758 ( 0.000 2.765 -1.227) 3.025 3.907 ( -0.000 0.632 1.165) 1.325 4.250 ( 0.000 1.970 -1.838) 2.695 4.349 ( 0.000 -9.386 0.131) 9.387 4.733 ( 0.000 -2.922 -0.364) 2.945 5.448 ( 0.000 -6.715 -2.488) 7.161======================= Grid point 62 (43/288) =======================q-point: ( 0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.712 ( -2.666 4.409 -6.452) 8.257 1.826 ( -0.339 15.481 7.406) 17.165 2.008 ( 7.950 5.038 -2.932) 9.858 2.307 ( 1.073 0.858 -7.869) 7.988 2.577 ( 0.678 -3.071 2.215) 3.847 2.964 ( 3.628 14.934 7.778) 17.225 3.783 ( 0.067 2.480 0.119) 2.484 3.922 ( 0.722 0.830 0.511) 1.213 4.226 ( -0.396 -3.342 -0.987) 3.507 4.336 ( 4.800 -3.727 -0.274) 6.083 4.701 ( -1.096 -0.851 -1.040) 1.734 5.315 ( -6.194 -7.087 -2.616) 9.769======================= Grid point 63 (44/288) =======================q-point: ( 0.43 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.727 ( 1.435 4.771 -2.048) 5.387 2.000 ( 0.177 13.012 6.294) 14.455 2.182 ( 9.427 3.187 -5.507) 11.373 2.338 ( 1.985 2.475 -2.505) 4.043 2.551 ( 1.972 -5.758 1.505) 6.270 3.175 ( 2.242 11.369 2.338) 11.822 3.811 ( 0.374 1.671 2.681) 3.181 3.952 ( 1.648 0.734 -0.275) 1.825 4.187 ( -1.497 -0.766 -1.504) 2.256 4.401 ( 7.099 -4.140 -0.425) 8.229 4.678 ( -1.236 1.212 -1.010) 2.004 5.098 ( -9.449 -6.516 -2.123) 11.672======================= Grid point 64 (45/288) =======================q-point: ( 0.50 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.838 ( 4.068 6.513 1.977) 7.929 2.117 ( 0.631 7.480 2.133) 7.804 2.345 ( 3.157 4.900 -1.180) 5.947 2.372 ( 1.049 -1.132 3.027) 3.398 2.601 ( 10.345 -1.574 -3.365) 10.992 3.254 ( -2.614 5.151 -2.769) 6.406 3.846 ( 1.091 0.711 3.447) 3.685 3.987 ( 1.481 0.535 -0.113) 1.578 4.143 ( -3.125 0.745 -1.595) 3.587 4.489 ( 7.183 -3.130 -0.577) 7.857 4.674 ( -1.272 2.001 -0.714) 2.476 4.878 ( -8.028 -4.692 -0.731) 9.327======================= Grid point 65 (46/288) =======================q-point: ( 0.57 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.967 ( 1.391 6.332 2.948) 7.122 2.199 ( 1.729 4.468 0.171) 4.794 2.321 ( -3.240 -1.181 1.953) 3.963 2.421 ( 1.436 -0.788 0.616) 1.750 2.829 ( 12.627 5.165 -2.108) 13.804 3.195 ( -5.101 0.611 -4.030) 6.530 3.880 ( 1.490 0.106 1.820) 2.355 3.992 ( -2.209 -0.077 0.677) 2.312 4.099 ( -0.876 -0.195 -0.940) 1.300 4.569 ( 3.307 0.183 -0.441) 3.341 4.646 ( -2.435 0.239 -0.996) 2.642 4.763 ( -1.296 -2.367 0.696) 2.787======================= Grid point 66 (47/288) =======================q-point: (-0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.996 ( -4.385 2.718 1.288) 5.318 2.250 ( -1.404 1.274 -0.061) 1.896 2.267 ( -1.091 0.871 0.813) 1.616 2.414 ( 0.433 -2.456 -0.339) 2.517 2.997 ( -5.660 7.120 -2.913) 9.551 3.168 ( 8.676 -2.011 1.007) 8.962 3.897 ( -3.203 1.169 -0.711) 3.483 3.938 ( 0.724 -2.007 1.263) 2.479 4.105 ( 1.576 -0.763 0.158) 1.759 4.584 ( -2.857 5.285 -0.660) 6.044 4.647 ( 2.385 -1.948 0.028) 3.080 4.739 ( 0.856 -3.220 0.316) 3.347======================= Grid point 67 (48/288) =======================q-point: (-0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.899 ( -7.384 0.000 0.000) 7.384 2.188 ( -5.158 0.000 0.000) 5.158 2.282 ( 0.389 -0.000 -0.000) 0.389 2.401 ( -0.634 0.000 0.000) 0.634 2.881 ( -8.110 0.000 0.000) 8.110 3.302 ( 3.909 -0.000 -0.000) 3.909 3.822 ( -3.883 0.000 0.000) 3.883 3.973 ( 2.015 -0.000 -0.000) 2.015 4.130 ( 1.764 -0.000 -0.000) 1.764 4.585 ( -1.747 0.000 0.000) 1.747 4.664 ( 1.592 -0.000 -0.000) 1.592 4.746 ( 3.178 -0.000 -0.000) 3.178======================= Grid point 76 (49/288) =======================q-point: ( 0.36 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.746 ( 0.000 1.205 -7.796) 7.888 1.894 ( 0.000 2.052 -8.993) 9.224 2.025 ( -0.000 10.000 7.174) 12.307 2.297 ( 0.000 3.487 -3.269) 4.780 2.550 ( -0.000 -4.361 4.892) 6.553 3.118 ( -0.000 16.076 6.795) 17.453 3.808 ( 0.000 2.740 -0.720) 2.833 3.927 ( -0.000 0.739 0.480) 0.881 4.150 ( -0.000 -7.190 1.217) 7.292 4.299 ( 0.000 0.867 -1.708) 1.916 4.707 ( 0.000 1.003 -1.228) 1.585 5.284 ( 0.000 -8.164 -2.603) 8.569======================= Grid point 77 (50/288) =======================q-point: ( 0.43 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.721 ( 0.554 1.235 -4.712) 4.903 1.963 ( 10.522 -3.281 -10.478) 15.208 2.139 ( 0.170 9.867 6.061) 11.581 2.342 ( 0.584 3.753 0.582) 3.842 2.516 ( -0.774 -3.140 3.365) 4.667 3.283 ( 0.098 11.670 4.051) 12.353 3.835 ( 0.151 2.236 0.979) 2.446 3.933 ( 0.364 0.029 -0.186) 0.409 4.139 ( 4.394 -3.504 0.313) 5.628 4.303 ( 0.604 -0.443 -1.379) 1.569 4.715 ( -0.968 3.013 -0.904) 3.291 5.148 ( -5.028 -8.115 -2.276) 9.814======================= Grid point 78 (51/288) =======================q-point: ( 0.50 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.796 ( 5.893 3.370 0.161) 6.791 2.085 ( 9.712 -3.183 -6.481) 12.102 2.291 ( 5.126 7.967 4.607) 10.535 2.372 ( 0.247 0.125 0.902) 0.943 2.494 ( 0.151 -0.479 0.373) 0.625 3.352 ( -2.961 5.621 -0.172) 6.356 3.859 ( -0.219 1.200 2.959) 3.201 3.950 ( 2.159 -0.282 -1.035) 2.411 4.193 ( 0.750 2.086 -1.027) 2.444 4.320 ( 5.417 -3.818 -0.389) 6.639 4.725 ( -1.825 3.756 -0.212) 4.181 4.960 ( -6.919 -6.198 -1.402) 9.394======================= Grid point 79 (52/288) =======================q-point: ( 0.57 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.951 ( 6.475 3.276 1.651) 7.442 2.188 ( 5.071 0.661 -1.628) 5.367 2.337 ( -1.605 -2.354 2.086) 3.531 2.438 ( -0.988 2.973 1.251) 3.373 2.593 ( 14.296 1.133 -1.721) 14.443 3.302 ( -6.050 1.497 -1.961) 6.534 3.870 ( 0.203 0.163 1.518) 1.540 3.987 ( 2.034 -0.078 -0.102) 2.038 4.166 ( -4.837 1.406 -0.651) 5.079 4.424 ( 9.085 -2.305 -0.183) 9.374 4.710 ( -3.328 1.448 -0.075) 3.630 4.811 ( -4.675 -1.785 -0.248) 5.010======================= Grid point 80 (53/288) =======================q-point: (-0.36 -0.64 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.049 ( 1.455 -0.000 -0.000) 1.455 2.256 ( 2.016 -0.000 -0.000) 2.016 2.289 ( -1.914 0.000 0.000) 1.914 2.416 ( -1.889 0.000 0.000) 1.889 2.890 ( 17.305 -0.000 -0.000) 17.305 3.181 ( -7.996 0.000 0.000) 7.996 3.887 ( 1.582 -0.000 -0.000) 1.582 3.989 ( -2.947 0.000 0.000) 2.947 4.097 ( -1.908 0.000 0.000) 1.908 4.553 ( 6.649 -0.000 -0.000) 6.649 4.658 ( -2.802 0.000 0.000) 2.802 4.745 ( -2.731 0.000 0.000) 2.731======================= Grid point 92 (54/288) =======================q-point: ( 0.43 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.716 ( 0.000 0.022 -4.326) 4.326 1.779 ( 0.000 -4.437 -8.645) 9.717 2.227 ( -0.000 6.142 3.741) 7.192 2.375 ( -0.000 1.633 2.279) 2.804 2.514 ( -0.000 -0.324 1.548) 1.581 3.404 ( -0.000 8.677 4.065) 9.582 3.852 ( 0.000 1.776 -0.211) 1.789 3.940 ( -0.000 0.416 -0.006) 0.416 4.052 ( -0.000 -3.352 0.822) 3.451 4.302 ( 0.000 0.410 -1.243) 1.309 4.764 ( -0.000 5.311 -0.477) 5.333 5.096 ( 0.000 -9.086 -2.132) 9.333======================= Grid point 93 (55/288) =======================q-point: ( 0.50 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.730 ( 3.957 1.396 -0.260) 4.204 1.826 ( 10.141 -3.677 -5.770) 12.234 2.303 ( 2.453 3.614 2.149) 4.868 2.380 ( -0.581 -0.410 1.532) 1.689 2.514 ( -0.954 0.934 0.266) 1.361 3.455 ( -2.621 3.818 1.435) 4.849 3.880 ( 1.084 1.488 1.330) 2.271 3.921 ( -0.868 -0.801 -0.902) 1.487 4.100 ( 6.795 -0.814 0.042) 6.843 4.292 ( -1.229 -0.060 -0.610) 1.374 4.810 ( -1.839 6.473 0.251) 6.734 4.971 ( -3.204 -8.171 -1.484) 8.902======================= Grid point 94 (56/288) =======================q-point: (-0.43 -0.57 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.847 ( 7.225 -0.000 -0.000) 7.225 2.008 ( 13.178 -0.000 -0.000) 13.178 2.362 ( -1.476 0.000 0.000) 1.476 2.404 ( 7.097 -0.000 -0.000) 7.097 2.493 ( -1.944 0.000 0.000) 1.944 3.405 ( -4.992 0.000 0.000) 4.992 3.884 ( -1.198 0.000 0.000) 1.198 3.941 ( 2.999 -0.000 -0.000) 2.999 4.244 ( 9.581 -0.000 -0.000) 9.581 4.249 ( -3.427 0.000 0.000) 3.427 4.798 ( -4.786 0.000 0.000) 4.786 4.859 ( -3.009 0.000 0.000) 3.009======================= Grid point 109 (57/288) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 400Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.699 ( -0.000 0.000 0.000) 0.000 1.703 ( -0.000 0.000 0.000) 0.000 2.301 ( -0.000 0.000 0.000) 0.000 2.385 ( -0.000 0.000 0.000) 0.000 2.529 ( -0.000 0.000 0.000) 0.000 3.503 ( -0.000 0.000 0.000) 0.000 3.870 ( -0.000 0.000 0.000) 0.000 3.944 ( -0.000 0.000 0.000) 0.000 4.022 ( -0.000 0.000 0.000) 0.000 4.303 ( -0.000 0.000 0.000) 0.000 4.899 ( -0.000 0.000 0.000) 0.000 4.916 ( -0.000 -0.000 0.000) 0.000======================= Grid point 218 (58/288) =======================q-point: ( 0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.191 ( -0.000 0.000 20.864) 20.864 0.191 ( -0.000 0.000 20.864) 20.864 0.320 ( -0.000 0.000 35.107) 35.107 2.039 ( 0.000 -0.000 -2.241) 2.241 2.039 ( 0.000 -0.000 -2.241) 2.241 3.681 ( 0.000 -0.000 -0.437) 0.437 3.681 ( 0.000 -0.000 -0.437) 0.437 3.751 ( 0.000 -0.000 -7.820) 7.820 3.884 ( -0.000 0.000 0.720) 0.720 3.884 ( -0.000 0.000 0.720) 0.720 4.956 ( -0.000 0.000 4.267) 4.267 5.891 ( 0.000 -0.000 -0.523) 0.523======================= Grid point 219 (59/288) =======================q-point: ( 0.14 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.347 ( 11.799 6.812 6.369) 15.040 0.405 ( 11.385 6.573 10.945) 17.106 0.893 ( 27.524 15.891 18.235) 36.641 2.050 ( 2.403 1.387 -4.571) 5.347 2.053 ( 0.917 0.529 -1.111) 1.535 3.212 ( -4.587 -2.649 -1.002) 5.391 3.690 ( 0.677 0.391 -0.298) 0.837 3.876 ( -0.613 -0.354 0.597) 0.925 3.948 ( 5.134 2.964 0.716) 5.971 4.801 ( 7.587 4.380 -23.741) 25.306 5.028 ( 4.056 2.342 -2.355) 5.242 5.709 ( -8.267 -4.773 2.165) 9.788======================= Grid point 220 (60/288) =======================q-point: ( 0.21 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.668 ( 14.668 8.469 0.225) 16.939 0.727 ( 14.335 8.276 1.071) 16.587 1.561 ( 25.937 14.975 9.936) 31.554 2.073 ( 0.986 0.569 0.137) 1.147 2.114 ( 4.476 2.584 -4.620) 6.933 3.124 ( -2.937 -1.696 -1.225) 3.606 3.711 ( 1.304 0.753 -0.470) 1.577 3.863 ( -0.638 -0.368 0.641) 0.976 4.090 ( 6.241 3.603 1.314) 7.325 4.790 ( -1.601 -0.924 -6.928) 7.170 4.997 ( -6.626 -3.826 5.032) 9.157 5.538 ( -5.978 -3.452 -7.728) 10.362======================= Grid point 221 (61/288) =======================q-point: ( 0.29 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.009 ( 15.040 8.683 -2.379) 17.529 1.054 ( 14.357 8.289 -4.491) 17.175 2.047 ( 12.232 7.062 -8.713) 16.596 2.098 ( 0.893 0.515 1.536) 1.850 2.300 ( 14.421 8.326 9.090) 18.971 3.074 ( -1.591 -0.919 3.235) 3.720 3.748 ( 2.074 1.198 -0.844) 2.539 3.854 ( -0.232 -0.134 0.793) 0.838 4.214 ( 3.858 2.228 0.246) 4.462 4.714 ( -4.503 -2.600 -1.534) 5.422 4.798 ( -10.444 -6.030 6.188) 13.555 5.389 ( -4.507 -2.602 -10.800) 11.989======================= Grid point 222 (62/288) =======================q-point: ( 0.36 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.334 ( 13.778 7.955 -4.169) 16.446 1.353 ( 13.204 7.623 -7.792) 17.123 2.122 ( 0.598 0.346 3.098) 3.174 2.191 ( 5.939 3.429 -8.188) 10.681 2.682 ( 12.323 7.115 6.129) 15.493 3.074 ( 0.240 0.139 8.745) 8.749 3.800 ( 2.655 1.533 -1.246) 3.309 3.858 ( 0.314 0.181 1.010) 1.073 4.255 ( -0.325 -0.188 -1.471) 1.518 4.501 ( -11.456 -6.614 5.299) 14.250 4.681 ( -1.855 -1.071 -2.183) 3.058 5.268 ( -3.558 -2.054 -8.043) 9.031======================= Grid point 223 (63/288) =======================q-point: ( 0.43 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.607 ( 11.045 6.377 -5.595) 13.928 1.614 ( 11.601 6.698 -8.528) 15.880 2.141 ( -0.065 -0.037 4.679) 4.680 2.313 ( 6.169 3.562 -3.630) 7.995 2.821 ( -0.711 -0.411 3.588) 3.681 3.134 ( 1.212 0.700 8.307) 8.424 3.854 ( 2.111 1.219 -1.714) 2.980 3.876 ( 1.087 0.628 1.418) 1.894 4.193 ( -4.141 -2.391 0.487) 4.807 4.315 ( -5.045 -2.913 0.112) 5.826 4.674 ( 2.112 1.219 -2.008) 3.158 5.170 ( -3.637 -2.100 -4.247) 5.973======================= Grid point 224 (64/288) =======================q-point: ( 0.50 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.803 ( 7.492 4.325 -6.289) 10.695 1.832 ( 9.192 5.307 -7.134) 12.789 2.142 ( -1.451 -0.838 5.721) 5.961 2.435 ( 4.367 2.521 -1.379) 5.228 2.747 ( -5.105 -2.947 2.114) 6.262 3.132 ( -2.592 -1.497 5.833) 6.557 3.879 ( 0.656 0.379 -0.512) 0.914 3.914 ( 1.462 0.844 0.291) 1.713 4.123 ( -1.818 -1.050 0.475) 2.152 4.240 ( -1.765 -1.019 -0.784) 2.184 4.767 ( 5.846 3.375 -0.694) 6.786 5.065 ( -4.762 -2.750 -2.048) 5.868======================= Grid point 225 (65/288) =======================q-point: (-0.43 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.914 ( 3.692 2.132 -4.884) 6.483 1.969 ( 3.187 1.840 -2.952) 4.718 2.101 ( -3.484 -2.011 4.752) 6.226 2.480 ( 0.330 0.190 -0.675) 0.775 2.648 ( -2.873 -1.659 -4.215) 5.364 3.105 ( -0.678 -0.391 6.753) 6.798 3.886 ( 0.021 0.012 -0.275) 0.276 3.933 ( 0.062 0.036 0.213) 0.225 4.099 ( -0.442 -0.255 -0.971) 1.097 4.228 ( 0.673 0.388 1.128) 1.370 4.878 ( -0.485 -0.280 0.047) 0.562 4.975 ( 1.453 0.839 -0.453) 1.738======================= Grid point 226 (66/288) =======================q-point: (-0.36 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.916 ( -4.936 -2.850 4.780) 7.439 1.944 ( -5.081 -2.934 4.639) 7.480 2.037 ( -0.699 -0.404 -4.449) 4.522 2.463 ( -2.906 -1.678 1.523) 3.685 2.614 ( 3.273 1.890 -11.117) 11.742 3.118 ( -1.026 -0.592 3.830) 4.009 3.878 ( -0.631 -0.364 -0.576) 0.928 3.919 ( -1.355 -0.782 0.685) 1.708 4.098 ( 1.110 0.641 -1.970) 2.350 4.270 ( 2.210 1.276 2.156) 3.341 4.776 ( -4.761 -2.749 0.285) 5.505 5.103 ( 6.248 3.607 1.880) 7.455======================= Grid point 227 (67/288) =======================q-point: (-0.29 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.731 ( -11.766 -6.793 7.794) 15.663 1.786 ( -10.333 -5.965 9.707) 15.381 2.034 ( 1.167 0.674 -6.935) 7.064 2.385 ( -3.461 -1.998 3.874) 5.566 2.697 ( 5.099 2.944 -10.317) 11.879 3.013 ( -8.758 -5.056 -3.585) 10.729 3.850 ( -1.664 -0.961 -1.417) 2.387 3.886 ( -1.493 -0.862 1.636) 2.377 4.167 ( 5.712 3.298 -1.814) 6.841 4.323 ( 1.767 1.020 0.561) 2.116 4.706 ( -1.388 -0.801 1.299) 2.063 5.251 ( 5.930 3.424 4.082) 7.972======================= Grid point 228 (68/288) =======================q-point: (-0.21 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.445 ( -14.824 -8.558 7.670) 18.757 1.531 ( -14.365 -8.293 10.650) 19.711 2.038 ( 0.804 0.464 -6.048) 6.119 2.337 ( -2.490 -1.438 6.360) 6.979 2.591 ( -17.743 -10.244 -2.235) 20.609 2.870 ( 4.244 2.451 -13.013) 13.905 3.797 ( -2.322 -1.341 -1.306) 2.982 3.865 ( -0.717 -0.414 1.532) 1.742 4.272 ( -0.055 -0.032 0.300) 0.307 4.411 ( 9.320 5.381 -4.269) 11.577 4.715 ( 1.560 0.901 1.516) 2.355 5.401 ( 5.799 3.348 5.782) 8.847======================= Grid point 229 (69/288) =======================q-point: (-0.14 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.109 ( -16.204 -9.355 8.034) 20.363 1.201 ( -16.783 -9.690 10.028) 21.820 2.036 ( 0.539 0.311 -5.123) 5.160 2.054 ( -26.084 -15.060 -5.533) 30.624 2.287 ( -3.720 -2.148 5.266) 6.795 2.978 ( 6.426 3.710 -6.256) 9.705 3.743 ( -1.919 -1.108 -1.171) 2.506 3.861 ( -0.060 -0.035 1.339) 1.341 4.202 ( -4.850 -2.800 -1.174) 5.722 4.660 ( 11.877 6.857 -5.736) 14.865 4.776 ( 3.221 1.860 2.152) 4.297 5.546 ( 5.028 2.903 5.643) 8.096======================= Grid point 230 (70/288) =======================q-point: (-0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.759 ( -16.238 -9.375 9.417) 20.982 0.832 ( -17.662 -10.197 9.577) 22.531 1.393 ( -29.389 -16.968 -5.354) 34.356 2.033 ( 0.454 0.262 -4.218) 4.250 2.197 ( -4.891 -2.824 2.831) 6.318 3.107 ( 5.624 3.247 -2.487) 6.954 3.705 ( -1.133 -0.654 -1.036) 1.669 3.869 ( 0.349 0.201 1.171) 1.239 4.066 ( -6.171 -3.563 -1.470) 7.276 4.832 ( 4.336 2.503 -4.918) 7.019 4.924 ( 8.729 5.040 0.240) 10.082 5.658 ( 3.361 1.940 3.792) 5.426======================= Grid point 233 (71/288) =======================q-point: ( 0.14 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.504 ( -0.000 21.014 5.270) 21.665 0.562 ( -0.000 15.404 15.814) 22.076 0.832 ( -0.000 24.285 21.315) 32.312 1.994 ( 0.000 -1.301 -5.141) 5.303 2.088 ( 0.000 5.043 -2.153) 5.483 3.203 ( 0.000 -7.197 -1.605) 7.373 3.677 ( 0.000 0.259 -0.964) 0.998 3.891 ( -0.000 -0.149 1.366) 1.374 3.922 ( 0.000 4.970 -1.126) 5.096 4.701 ( 0.000 13.318 -27.585) 30.632 5.021 ( -0.000 1.840 2.662) 3.236 5.759 ( -0.000 -6.266 1.586) 6.464======================= Grid point 234 (72/288) =======================q-point: ( 0.21 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.678 ( -2.777 15.712 14.855) 21.800 0.770 ( 3.775 22.044 0.097) 22.365 1.366 ( 20.066 21.261 12.485) 31.789 1.999 ( 3.858 -1.039 -4.698) 6.167 2.133 ( -0.329 5.805 -2.555) 6.351 3.117 ( -1.090 -5.068 -3.298) 6.144 3.693 ( 1.328 0.443 -0.650) 1.544 3.875 ( -1.060 0.039 0.668) 1.253 4.035 ( 5.228 5.050 0.497) 7.286 4.739 ( 2.540 -0.494 -12.588) 12.851 5.021 ( -0.886 -4.512 3.680) 5.890 5.624 ( -8.089 -3.261 -3.210) 9.294======================= Grid point 235 (73/288) =======================q-point: ( 0.29 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.890 ( 5.612 13.453 8.390) 16.819 1.057 ( 5.592 20.006 -3.626) 21.087 1.875 ( 13.616 11.072 -4.196) 18.045 2.108 ( 6.143 5.974 2.323) 8.878 2.196 ( 5.529 5.626 2.290) 8.213 3.059 ( 0.570 -4.174 -0.395) 4.232 3.724 ( 1.716 0.907 -0.435) 1.989 3.865 ( -0.596 0.363 0.527) 0.875 4.169 ( 4.472 3.259 0.542) 5.560 4.714 ( 0.049 -2.995 -4.915) 5.756 4.909 ( -6.370 -8.047 6.179) 11.980 5.433 ( -8.028 -2.479 -8.521) 11.967======================= Grid point 236 (74/288) =======================q-point: ( 0.36 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.161 ( 9.321 10.602 2.492) 14.335 1.334 ( 6.607 17.275 -6.007) 19.446 2.059 ( 6.649 2.693 -6.088) 9.409 2.182 ( -0.234 5.458 -2.807) 6.142 2.552 ( 14.673 9.923 7.903) 19.396 3.055 ( 2.608 -3.079 4.621) 6.135 3.769 ( 2.359 1.298 -0.327) 2.713 3.865 ( -0.362 0.905 0.606) 1.147 4.238 ( 1.468 0.193 -1.140) 1.869 4.645 ( -5.676 -4.164 2.315) 7.410 4.715 ( -6.932 -4.218 1.337) 8.224 5.267 ( -4.147 -3.852 -8.831) 10.489======================= Grid point 237 (75/288) =======================q-point: ( 0.43 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.422 ( 10.019 7.824 -1.868) 12.848 1.590 ( 6.639 14.694 -6.391) 17.344 2.157 ( 1.875 2.385 1.396) 3.340 2.250 ( 3.964 5.334 -3.651) 7.582 2.801 ( 4.679 1.795 2.251) 5.494 3.120 ( 3.919 -0.301 7.772) 8.709 3.827 ( 2.797 1.568 -0.180) 3.212 3.872 ( -0.205 1.055 0.823) 1.353 4.221 ( -1.366 -1.965 -1.694) 2.933 4.445 ( -11.116 -1.491 2.709) 11.538 4.652 ( 0.190 -0.327 -2.301) 2.332 5.158 ( -1.312 -5.068 -5.082) 7.296======================= Grid point 238 (76/288) =======================q-point: ( 0.50 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.645 ( 9.073 5.254 -4.042) 11.237 1.811 ( 5.315 12.454 -6.119) 14.859 2.188 ( -1.295 1.761 4.277) 4.804 2.381 ( 5.254 4.653 -1.774) 7.239 2.801 ( -3.248 -2.765 0.937) 4.367 3.169 ( -0.406 -1.117 5.844) 5.964 3.881 ( -0.228 1.533 -0.215) 1.565 3.891 ( 2.464 0.881 0.876) 2.760 4.169 ( -2.100 -0.271 -0.979) 2.332 4.293 ( -6.483 0.671 0.125) 6.518 4.695 ( 4.586 1.715 -1.279) 5.060 5.072 ( -1.637 -5.543 -2.316) 6.226======================= Grid point 239 (77/288) =======================q-point: ( 0.57 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.805 ( 6.310 2.399 -4.783) 8.273 1.979 ( 2.902 9.760 -4.947) 11.320 2.172 ( -3.528 0.191 5.202) 6.288 2.481 ( 1.738 2.761 -0.934) 3.393 2.684 ( -5.270 -2.649 -3.214) 6.717 3.153 ( -1.765 -0.039 7.426) 7.633 3.884 ( -0.220 -0.073 -0.170) 0.287 3.933 ( 0.841 1.057 0.168) 1.361 4.148 ( -2.165 3.583 -0.938) 4.291 4.228 ( -1.453 -0.187 0.745) 1.644 4.815 ( 6.506 1.045 -0.015) 6.589 4.974 ( -2.450 -4.719 -1.321) 5.479======================= Grid point 240 (78/288) =======================q-point: (-0.36 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.871 ( 1.975 -1.974 -2.474) 3.730 2.058 ( -2.119 5.422 -0.363) 5.833 2.099 ( -5.608 -0.516 3.053) 6.406 2.497 ( -1.440 1.141 -0.187) 1.847 2.585 ( -1.878 0.242 -8.493) 8.702 3.164 ( -1.444 1.670 7.284) 7.611 3.869 ( -0.350 -1.592 -0.937) 1.880 3.940 ( -0.914 0.526 0.464) 1.153 4.145 ( -3.009 5.365 -1.253) 6.278 4.246 ( 2.496 0.461 1.903) 3.173 4.814 ( -3.332 -4.528 -0.149) 5.624 5.003 ( 7.422 0.442 0.543) 7.455======================= Grid point 241 (79/288) =======================q-point: (-0.29 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.801 ( -5.195 -8.096 5.460) 11.061 1.958 ( -8.429 -1.516 2.732) 8.989 2.072 ( -3.361 5.514 -1.480) 6.625 2.434 ( -3.692 -2.475 1.454) 4.677 2.613 ( 4.071 5.025 -11.239) 12.966 3.122 ( -7.327 -1.035 2.648) 7.859 3.836 ( -0.278 -2.843 -1.392) 3.178 3.920 ( -2.002 0.431 1.110) 2.330 4.163 ( -0.045 5.425 -1.226) 5.562 4.311 ( 2.148 2.532 1.047) 3.481 4.724 ( -2.188 -2.504 0.558) 3.372 5.147 ( 8.572 -0.631 2.314) 8.901======================= Grid point 242 (80/288) =======================q-point: (-0.21 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.574 ( -11.767 -11.028 8.331) 18.152 1.779 ( -12.261 -1.796 4.840) 13.304 2.061 ( -2.938 4.872 -3.848) 6.869 2.370 ( -1.816 -2.257 3.236) 4.343 2.710 ( 3.295 3.706 -5.778) 7.614 2.879 ( -15.145 -5.145 -5.451) 16.898 3.797 ( -0.631 -2.737 -1.246) 3.073 3.895 ( -1.897 0.663 1.432) 2.467 4.243 ( 3.438 2.226 -0.176) 4.100 4.374 ( 1.733 6.171 -2.094) 6.743 4.701 ( 0.754 -0.469 1.037) 1.365 5.300 ( 8.973 -0.972 3.717) 9.761======================= Grid point 243 (81/288) =======================q-point: (-0.14 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.251 ( -14.677 -12.071 8.155) 20.679 1.523 ( -17.296 -1.221 5.290) 18.128 2.047 ( -1.898 3.475 -4.606) 6.074 2.318 ( -4.967 -3.565 0.340) 6.123 2.400 ( -23.589 -6.465 1.350) 24.496 2.867 ( 7.479 3.256 -6.692) 10.551 3.754 ( -1.280 -1.687 -1.028) 2.354 3.878 ( -1.196 0.513 1.276) 1.822 4.247 ( -2.663 -1.518 -0.599) 3.123 4.536 ( 8.602 8.050 -3.607) 12.322 4.737 ( 2.961 0.368 1.255) 3.237 5.453 ( 8.416 -0.947 3.343) 9.105======================= Grid point 244 (82/288) =======================q-point: (-0.07 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.894 ( -15.466 -11.361 8.328) 20.920 1.195 ( -20.467 -1.807 2.818) 20.739 1.812 ( -31.205 -4.865 -0.555) 31.587 2.038 ( -1.182 2.556 -3.908) 4.817 2.256 ( -4.184 -3.000 1.507) 5.364 3.014 ( 7.156 2.647 -2.229) 7.949 3.718 ( -1.301 -0.398 -0.759) 1.558 3.871 ( -0.299 -0.085 0.907) 0.959 4.151 ( -6.124 -0.991 -0.808) 6.256 4.743 ( 7.397 4.363 -6.258) 10.626 4.828 ( 6.933 1.436 3.945) 8.105 5.579 ( 6.639 -1.622 0.813) 6.883======================= Grid point 248 (83/288) =======================q-point: ( 0.21 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.954 ( -0.000 21.144 3.577) 21.444 0.965 ( -0.000 16.408 12.019) 20.339 1.459 ( -0.000 27.781 11.924) 30.232 1.930 ( 0.000 -1.400 -6.702) 6.847 2.190 ( 0.000 6.153 -3.464) 7.061 3.053 ( 0.000 -6.506 -3.282) 7.287 3.682 ( 0.000 1.028 -1.240) 1.610 3.896 ( -0.000 -0.195 1.579) 1.591 4.041 ( 0.000 6.901 -1.019) 6.976 4.665 ( 0.000 -1.883 -10.750) 10.913 4.986 ( -0.000 -6.994 4.814) 8.490 5.656 ( 0.000 -3.965 -3.466) 5.266======================= Grid point 249 (84/288) =======================q-point: ( 0.29 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.099 ( -4.294 17.643 13.055) 22.364 1.196 ( 1.639 20.165 -1.364) 20.277 1.818 ( 5.445 14.690 -3.506) 16.054 2.010 ( 11.783 8.741 3.532) 15.090 2.229 ( -0.533 5.112 -3.486) 6.210 2.988 ( 0.888 -6.095 -0.767) 6.207 3.704 ( 1.367 1.193 -0.629) 1.920 3.887 ( -1.007 0.641 0.679) 1.373 4.139 ( 3.304 4.932 -0.312) 5.944 4.631 ( 2.434 -4.716 -5.825) 7.880 4.903 ( -2.009 -8.847 4.401) 10.083 5.535 ( -7.517 -3.351 -5.326) 9.803======================= Grid point 250 (85/288) =======================q-point: ( 0.36 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.260 ( -1.358 16.591 10.203) 19.525 1.410 ( 3.128 17.173 -4.680) 18.072 1.963 ( 6.424 5.383 -7.523) 11.263 2.232 ( -0.235 5.160 -5.900) 7.842 2.437 ( 13.704 12.967 7.601) 20.340 2.970 ( 3.263 -4.774 3.374) 6.695 3.744 ( 1.848 1.193 0.545) 2.266 3.888 ( -0.385 1.711 -0.024) 1.754 4.214 ( 1.454 1.257 -1.028) 2.180 4.615 ( 2.463 -4.945 -1.397) 5.698 4.777 ( -4.286 -7.205 2.927) 8.879 5.327 ( -9.504 -3.650 -6.684) 12.179======================= Grid point 251 (86/288) =======================q-point: ( 0.43 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.434 ( 1.767 13.077 4.728) 14.017 1.628 ( 4.730 15.250 -3.925) 16.442 2.118 ( 6.141 6.049 -3.374) 9.256 2.264 ( 0.487 4.492 -2.927) 5.384 2.721 ( 7.314 2.763 0.573) 7.840 3.047 ( 6.195 0.407 6.357) 8.886 3.795 ( 2.385 1.094 1.699) 3.125 3.903 ( -0.461 2.641 -0.046) 2.682 4.209 ( -0.647 -1.986 -1.943) 2.853 4.587 ( -2.966 -3.155 2.410) 4.956 4.654 ( -3.310 -1.597 -1.585) 4.002 5.128 ( -5.174 -5.681 -5.324) 9.348======================= Grid point 252 (87/288) =======================q-point: ( 0.50 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.609 ( 3.742 10.135 1.671) 10.932 1.842 ( 4.500 13.377 -3.335) 14.503 2.233 ( 0.837 4.001 1.232) 4.269 2.343 ( 4.086 5.228 -1.485) 6.800 2.790 ( 1.995 -2.423 -0.726) 3.222 3.154 ( 2.552 0.237 3.024) 3.964 3.857 ( 2.720 0.908 2.410) 3.746 3.918 ( -1.176 2.873 0.009) 3.104 4.165 ( -0.413 -2.375 -1.963) 3.109 4.463 ( -9.183 2.027 0.501) 9.418 4.644 ( 2.167 0.695 -1.666) 2.820 5.009 ( -0.301 -7.372 -2.219) 7.705======================= Grid point 253 (88/288) =======================q-point: ( 0.57 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.761 ( 3.167 7.269 -0.411) 7.940 2.019 ( 3.020 10.751 -3.231) 11.625 2.249 ( -2.678 1.402 4.006) 5.018 2.459 ( 3.774 3.293 -0.729) 5.062 2.749 ( -4.235 -0.358 -3.787) 5.692 3.178 ( 0.853 -0.561 3.748) 3.885 3.895 ( -0.522 -0.278 1.478) 1.592 3.930 ( 0.551 2.189 -0.274) 2.274 4.155 ( 1.712 -0.563 -0.932) 2.029 4.346 ( -7.898 4.458 -0.162) 9.070 4.716 ( 5.166 0.500 -0.417) 5.207 4.934 ( 0.001 -6.756 -0.973) 6.826======================= Grid point 254 (89/288) =======================q-point: (-0.36 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.845 ( 0.478 3.177 -1.732) 3.650 2.130 ( 0.184 6.757 -1.698) 6.969 2.199 ( -4.731 -0.347 4.183) 6.325 2.510 ( 0.543 -1.119 -0.429) 1.316 2.651 ( -5.980 4.844 -7.534) 10.770 3.219 ( 0.736 1.973 6.599) 6.926 3.866 ( -1.494 -1.359 -0.739) 2.150 3.957 ( 0.192 1.072 0.353) 1.144 4.200 ( 3.231 -0.704 1.198) 3.518 4.282 ( -5.514 7.207 -0.738) 9.104 4.783 ( 2.125 -4.043 0.139) 4.570 4.892 ( 3.256 -2.856 -0.565) 4.367======================= Grid point 255 (90/288) =======================q-point: (-0.29 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.821 ( -3.367 -2.411 0.437) 4.164 2.086 ( -7.054 -0.921 1.729) 7.321 2.181 ( -2.086 5.080 1.435) 5.676 2.459 ( -2.419 -3.625 -1.126) 4.501 2.625 ( -1.976 7.563 -8.131) 11.279 3.243 ( -3.834 2.027 5.369) 6.902 3.817 ( -1.327 -2.443 -1.390) 3.108 3.960 ( -1.151 1.039 0.644) 1.679 4.208 ( -0.481 -0.898 0.760) 1.271 4.333 ( 0.609 8.931 -0.369) 8.959 4.729 ( -1.635 -3.496 0.057) 3.860 4.976 ( 8.480 -3.533 0.729) 9.215======================= Grid point 256 (91/288) =======================q-point: (-0.21 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.683 ( -8.576 -6.470 4.589) 11.682 1.941 ( -8.710 -0.733 -0.237) 8.744 2.188 ( -4.246 5.529 1.240) 7.081 2.377 ( -1.990 -3.694 0.064) 4.196 2.670 ( 2.127 5.679 -7.076) 9.319 3.112 ( -13.632 -1.129 1.605) 13.772 3.775 ( -0.424 -2.144 -0.559) 2.256 3.944 ( -2.109 1.074 0.837) 2.510 4.212 ( 1.687 -0.223 -0.057) 1.703 4.427 ( 0.249 8.262 -1.147) 8.345 4.688 ( -0.198 -1.377 0.338) 1.432 5.107 ( 10.719 -4.134 1.601) 11.600======================= Grid point 257 (92/288) =======================q-point: (-0.14 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.431 ( -14.076 -6.864 5.326) 16.541 1.761 ( -11.543 -1.216 -0.744) 11.631 2.145 ( -5.610 4.109 -2.013) 7.239 2.326 ( -0.770 -3.016 1.414) 3.419 2.756 ( -5.292 -0.301 -8.485) 10.004 2.791 ( -11.614 2.248 5.727) 13.143 3.752 ( -0.480 -0.955 0.033) 1.069 3.916 ( -2.151 0.403 0.659) 2.285 4.244 ( 1.555 -0.625 -0.475) 1.742 4.510 ( 2.326 6.224 -1.365) 6.783 4.695 ( 1.869 -0.573 0.208) 1.965 5.267 ( 11.081 -3.013 0.634) 11.501======================= Grid point 258 (93/288) =======================q-point: (-0.07 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.120 ( -16.521 -3.992 4.276) 17.526 1.492 ( -17.026 -2.854 -3.045) 17.530 2.082 ( -4.145 1.809 -4.445) 6.341 2.275 ( -4.529 -0.536 1.166) 4.707 2.339 ( -24.435 0.109 1.823) 24.503 2.919 ( 6.555 3.282 1.700) 7.525 3.737 ( -1.041 0.500 0.167) 1.167 3.884 ( -1.436 -0.600 0.223) 1.573 4.229 ( -2.818 0.264 -0.477) 2.871 4.638 ( 7.309 2.600 -0.844) 7.804 4.740 ( 4.132 -0.961 1.091) 4.380 5.415 ( 9.148 -2.493 -2.662) 9.848======================= Grid point 263 (94/288) =======================q-point: ( 0.29 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.349 ( -0.000 15.852 7.031) 17.342 1.378 ( -0.000 19.352 1.671) 19.424 1.868 ( 0.000 -0.717 -5.348) 5.395 2.054 ( -0.000 25.749 2.767) 25.898 2.265 ( 0.000 4.074 -4.092) 5.774 2.920 ( -0.000 -6.025 2.577) 6.553 3.705 ( 0.000 2.051 -1.226) 2.389 3.904 ( -0.000 0.101 1.333) 1.337 4.162 ( 0.000 5.489 -1.240) 5.627 4.532 ( 0.000 -7.122 -2.995) 7.726 4.845 ( -0.000 -8.231 2.571) 8.623 5.548 ( 0.000 -4.458 -5.018) 6.712======================= Grid point 264 (95/288) =======================q-point: ( 0.36 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.518 ( -4.350 15.428 2.849) 16.281 1.523 ( 1.106 15.024 1.967) 15.192 1.898 ( 4.755 4.307 -4.756) 7.986 2.239 ( 1.383 4.252 -12.162) 12.958 2.422 ( 6.910 16.346 7.311) 19.194 2.896 ( 1.749 -3.512 6.850) 7.894 3.735 ( 1.138 2.173 -0.289) 2.470 3.906 ( -0.174 0.900 0.530) 1.058 4.213 ( 0.549 2.725 -1.559) 3.187 4.483 ( 3.895 -8.121 0.030) 9.007 4.762 ( -1.662 -5.986 0.553) 6.237 5.422 ( -6.942 -4.754 -5.200) 9.891======================= Grid point 265 (96/288) =======================q-point: ( 0.43 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.579 ( -1.384 9.931 -1.035) 10.080 1.721 ( 1.563 16.134 5.362) 17.074 2.059 ( 7.355 7.132 -4.142) 11.050 2.267 ( 2.036 3.066 -7.664) 8.502 2.634 ( 4.414 1.314 1.297) 4.785 2.991 ( 5.289 5.557 7.563) 10.773 3.781 ( 1.582 1.893 1.694) 2.993 3.925 ( 0.605 1.839 -0.196) 1.946 4.206 ( -1.478 -0.976 -1.937) 2.625 4.503 ( 5.733 -5.970 1.070) 8.346 4.683 ( -2.225 -2.509 -0.863) 3.463 5.206 ( -9.964 -4.996 -4.602) 12.059======================= Grid point 266 (97/288) =======================q-point: ( 0.50 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.683 ( 1.834 9.608 1.776) 9.942 1.913 ( 1.808 13.472 2.923) 13.903 2.232 ( 5.254 6.100 -2.292) 8.370 2.331 ( 2.789 4.267 -2.374) 5.624 2.679 ( 5.159 -4.990 -0.516) 7.197 3.139 ( 2.139 4.885 1.459) 5.528 3.836 ( 1.937 1.381 3.147) 3.945 3.957 ( 0.408 2.410 -0.100) 2.446 4.151 ( -1.809 -1.990 -2.013) 3.359 4.542 ( 2.653 -2.523 0.652) 3.719 4.637 ( -1.568 0.961 -1.778) 2.558 4.985 ( -6.989 -6.020 -2.463) 9.547======================= Grid point 267 (98/288) =======================q-point: ( 0.57 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.820 ( 1.419 9.172 3.091) 9.782 2.067 ( 2.291 9.456 0.028) 9.730 2.313 ( -1.201 2.675 1.964) 3.529 2.421 ( 3.492 2.245 0.039) 4.151 2.745 ( 5.243 0.669 -3.366) 6.266 3.165 ( -0.728 0.563 -1.599) 1.845 3.886 ( 1.577 0.220 2.515) 2.977 3.972 ( -1.711 2.203 0.219) 2.798 4.113 ( 0.645 -1.578 -1.355) 2.177 4.520 ( -5.544 3.393 -0.486) 6.518 4.649 ( 2.602 0.203 -1.054) 2.815 4.855 ( -0.338 -6.615 -0.271) 6.629======================= Grid point 268 (99/288) =======================q-point: ( 0.64 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.908 ( -1.608 6.466 1.871) 6.921 2.177 ( 1.390 6.033 -0.865) 6.251 2.278 ( -3.923 -0.700 3.299) 5.173 2.469 ( 1.707 -2.113 -0.372) 2.742 2.799 ( -3.850 8.807 -6.309) 11.498 3.191 ( 4.633 -0.246 2.064) 5.078 3.890 ( -1.936 -0.475 0.203) 2.004 3.961 ( -0.215 0.487 0.756) 0.925 4.133 ( 3.026 -1.526 0.345) 3.407 4.456 ( -6.333 6.516 -0.824) 9.124 4.695 ( 3.441 -2.411 -0.038) 4.201 4.816 ( 1.653 -4.457 -0.135) 4.756======================= Grid point 269 (100/288) =======================q-point: (-0.29 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.893 ( -5.169 1.468 0.886) 5.447 2.187 ( -4.757 -0.041 0.974) 4.855 2.247 ( -0.412 3.076 1.529) 3.460 2.444 ( -0.568 -3.548 -1.084) 3.753 2.769 ( -6.820 8.930 -5.869) 12.677 3.290 ( 3.001 1.491 3.405) 4.778 3.832 ( -3.018 -1.181 -0.687) 3.313 3.975 ( 0.650 0.312 0.765) 1.051 4.165 ( 2.421 -2.833 0.883) 3.830 4.451 ( -2.774 9.187 -0.868) 9.636 4.705 ( 0.883 -3.083 0.137) 3.210 4.821 ( 4.271 -4.510 -0.010) 6.212======================= Grid point 270 (101/288) =======================q-point: (-0.21 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.783 ( -7.294 -1.989 1.666) 7.742 2.079 ( -7.574 -0.266 0.205) 7.581 2.280 ( -0.232 3.194 2.360) 3.978 2.379 ( -2.840 -2.999 -1.087) 4.271 2.728 ( -4.075 5.694 -4.220) 8.175 3.287 ( -5.788 -0.109 0.953) 5.867 3.777 ( -1.770 -0.728 0.455) 1.967 3.982 ( -0.829 0.573 0.423) 1.093 4.172 ( 1.673 -1.903 -0.133) 2.538 4.512 ( -0.942 7.497 -0.801) 7.598 4.682 ( -0.477 -1.366 0.031) 1.447 4.885 ( 9.103 -4.784 0.337) 10.290======================= Grid point 271 (102/288) =======================q-point: (-0.14 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.612 ( -10.781 -2.363 1.701) 11.167 1.928 ( -9.535 -0.132 -1.510) 9.655 2.276 ( -6.003 -0.712 -0.794) 6.097 2.309 ( 0.050 0.284 1.766) 1.790 2.735 ( 0.912 3.175 -1.730) 3.729 3.102 ( -14.354 -0.452 0.772) 14.382 3.760 ( -0.672 0.522 1.509) 1.733 3.956 ( -2.192 -0.491 0.069) 2.247 4.198 ( 2.563 -0.164 -0.875) 2.714 4.538 ( -0.536 1.075 -0.064) 1.203 4.670 ( 0.271 -0.379 -0.518) 0.697 5.040 ( 11.626 -1.282 -1.027) 11.741======================= Grid point 272 (103/288) =======================q-point: (-0.07 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.382 ( -14.409 0.533 0.215) 14.420 1.719 ( -13.503 -1.381 -4.769) 14.386 2.162 ( -5.034 -1.188 -0.684) 5.217 2.297 ( -1.984 -0.055 -1.520) 2.500 2.726 ( -11.206 1.460 -1.566) 11.408 2.912 ( -3.744 4.193 8.285) 10.012 3.766 ( -0.702 1.719 1.356) 2.299 3.906 ( -2.178 -1.422 -0.339) 2.623 4.238 ( 1.724 0.504 -1.090) 2.100 4.543 ( 3.322 -3.840 2.180) 5.526 4.682 ( 1.727 -0.267 -1.230) 2.137 5.220 ( 10.091 0.036 -4.254) 10.951======================= Grid point 278 (104/288) =======================q-point: ( 0.36 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.630 ( 0.000 9.128 -4.609) 10.226 1.712 ( 0.000 13.303 -3.763) 13.825 1.884 ( -0.000 4.944 4.282) 6.541 2.221 ( 0.000 2.785 -12.007) 12.326 2.544 ( -0.000 12.050 5.737) 13.346 2.898 ( -0.000 3.179 10.450) 10.923 3.748 ( 0.000 2.862 -0.911) 3.004 3.916 ( -0.000 0.459 0.746) 0.876 4.231 ( 0.000 2.082 -2.075) 2.940 4.359 ( -0.000 -9.001 1.855) 9.190 4.726 ( 0.000 -3.658 -1.032) 3.800 5.415 ( 0.000 -5.935 -4.849) 7.664======================= Grid point 279 (105/288) =======================q-point: ( 0.43 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.648 ( -1.030 4.719 -7.219) 8.686 1.868 ( 5.073 11.784 -0.540) 12.841 1.988 ( 2.940 5.398 0.583) 6.175 2.240 ( 1.537 4.560 -6.462) 8.057 2.613 ( -0.129 -1.636 5.264) 5.514 3.036 ( 2.379 12.167 8.066) 14.790 3.785 ( 1.065 2.770 0.316) 2.985 3.926 ( 0.448 0.701 0.198) 0.855 4.215 ( -0.990 -1.990 -1.441) 2.649 4.340 ( 5.017 -5.287 1.195) 7.386 4.689 ( -1.048 -0.954 -1.615) 2.149 5.283 ( -6.100 -6.278 -4.257) 9.734======================= Grid point 280 (106/288) =======================q-point: ( 0.50 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.706 ( 3.710 5.598 -2.258) 7.085 2.059 ( -1.249 10.051 5.772) 11.658 2.117 ( 12.266 4.081 -7.508) 14.949 2.318 ( 2.518 5.375 -2.067) 6.285 2.579 ( 0.045 -5.903 4.389) 7.356 3.195 ( 0.299 9.330 1.850) 9.517 3.836 ( 1.229 2.076 2.676) 3.603 3.948 ( 1.562 0.496 -0.437) 1.696 4.173 ( -1.846 -0.489 -1.671) 2.538 4.400 ( 7.092 -4.707 0.337) 8.518 4.668 ( -1.142 1.553 -1.315) 2.333 5.076 ( -9.031 -5.737 -2.849) 11.072======================= Grid point 281 (107/288) =======================q-point: ( 0.57 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.854 ( 5.331 6.811 1.708) 8.816 2.131 ( 0.663 5.313 0.830) 5.418 2.338 ( 4.629 6.465 -0.170) 7.954 2.391 ( 1.684 0.735 0.965) 2.076 2.584 ( 8.171 -2.696 -0.162) 8.605 3.227 ( -3.842 4.313 -3.052) 6.533 3.875 ( 0.807 0.396 2.933) 3.067 3.985 ( 1.973 0.474 -0.220) 2.041 4.129 ( -3.104 1.073 -1.552) 3.632 4.486 ( 7.130 -3.280 -0.053) 7.848 4.666 ( -1.547 2.472 -0.985) 3.078 4.871 ( -7.244 -4.219 -0.781) 8.419======================= Grid point 282 (108/288) =======================q-point: ( 0.64 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.993 ( 1.480 5.796 2.588) 6.517 2.200 ( 1.564 4.191 -0.100) 4.475 2.339 ( -3.252 -2.000 1.974) 4.298 2.424 ( 0.912 -0.779 0.215) 1.218 2.811 ( 12.271 6.492 -1.688) 13.985 3.162 ( -4.197 0.798 -3.219) 5.349 3.894 ( 0.853 -0.426 1.231) 1.557 3.997 ( -1.983 -0.067 0.470) 2.039 4.092 ( -0.409 0.060 -0.571) 0.705 4.566 ( 3.089 0.322 -0.199) 3.112 4.637 ( -2.208 0.412 -0.976) 2.449 4.769 ( -1.209 -2.287 0.564) 2.647======================= Grid point 283 (109/288) =======================q-point: (-0.29 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.009 ( -4.715 1.745 1.597) 5.275 2.250 ( -0.981 1.522 0.028) 1.811 2.275 ( -1.324 -0.217 0.868) 1.598 2.411 ( 0.175 -2.218 -0.241) 2.238 2.969 ( -6.172 9.229 -3.290) 11.580 3.176 ( 9.632 -2.392 0.717) 9.951 3.891 ( -3.198 0.912 -0.573) 3.374 3.951 ( 0.473 -2.188 1.556) 2.726 4.106 ( 1.788 -0.920 -0.046) 2.011 4.577 ( -2.903 5.466 -0.857) 6.248 4.648 ( 2.601 -1.791 0.194) 3.164 4.742 ( 0.633 -3.246 0.281) 3.319======================= Grid point 284 (110/288) =======================q-point: (-0.21 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.904 ( -7.289 -0.821 1.105) 7.418 2.189 ( -5.164 -0.099 0.290) 5.173 2.284 ( 0.612 -1.020 0.578) 1.322 2.402 ( -0.620 0.868 0.383) 1.133 2.877 ( -8.307 2.983 -0.897) 8.872 3.293 ( 3.725 -1.922 -1.982) 4.637 3.828 ( -3.576 0.711 1.242) 3.851 3.974 ( 1.916 -0.703 0.357) 2.072 4.127 ( 1.685 -0.411 -0.622) 1.843 4.584 ( -1.751 1.018 -0.338) 2.054 4.663 ( 1.558 -0.638 -0.213) 1.697 4.747 ( 3.128 -0.117 0.265) 3.141======================= Grid point 285 (111/288) =======================q-point: (-0.14 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.768 ( -8.324 0.050 0.242) 8.327 2.077 ( -7.811 -0.024 -0.296) 7.816 2.266 ( -0.227 -4.214 0.752) 4.286 2.398 ( -2.946 3.514 1.070) 4.709 2.779 ( -3.861 0.088 1.250) 4.059 3.244 ( -4.489 -2.934 -3.356) 6.326 3.801 ( -1.856 1.758 2.783) 3.779 3.974 ( -0.853 -1.325 -0.394) 1.625 4.159 ( 1.879 1.224 -1.417) 2.653 4.522 ( -0.791 -6.878 0.301) 6.930 4.677 ( -0.611 1.318 -0.603) 1.573 4.873 ( 8.242 4.052 -0.865) 9.225======================= Grid point 286 (112/288) =======================q-point: (-0.07 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.614 ( -10.762 2.812 -2.346) 11.368 1.910 ( -11.095 -0.346 -3.462) 11.628 2.199 ( -2.390 -4.464 2.068) 5.470 2.365 ( -4.584 2.560 -1.041) 5.353 2.770 ( 1.307 -0.117 3.354) 3.601 3.109 ( -7.921 0.383 1.390) 8.051 3.807 ( -1.012 2.463 2.683) 3.780 3.927 ( -2.240 -1.731 -0.860) 2.959 4.199 ( 2.078 0.533 -1.475) 2.603 4.447 ( 1.344 -8.683 1.059) 8.849 4.673 ( -0.776 1.269 -1.308) 1.981 5.061 ( 8.907 3.514 -3.117) 10.070======================= Grid point 293 (113/288) =======================q-point: ( 0.43 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.679 ( 0.000 2.247 -7.069) 7.417 1.796 ( 0.000 0.692 -11.920) 11.940 2.086 ( -0.000 8.948 6.177) 10.873 2.277 ( 0.000 7.118 -1.562) 7.287 2.602 ( -0.000 -5.068 6.511) 8.251 3.180 ( -0.000 14.192 6.646) 15.671 3.803 ( 0.000 2.892 -0.410) 2.921 3.929 ( -0.000 0.578 0.118) 0.590 4.163 ( -0.000 -6.825 1.467) 6.981 4.285 ( 0.000 0.317 -1.343) 1.380 4.694 ( 0.000 1.291 -1.700) 2.135 5.254 ( 0.000 -7.450 -3.858) 8.390======================= Grid point 294 (114/288) =======================q-point: ( 0.50 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.683 ( 2.093 2.878 -3.471) 4.971 1.866 ( 10.737 -2.055 -10.511) 15.166 2.189 ( 0.675 8.438 4.886) 9.774 2.348 ( 0.391 5.646 0.512) 5.682 2.555 ( -1.115 -5.322 5.159) 7.495 3.314 ( -1.280 10.392 2.709) 10.815 3.843 ( 1.370 2.532 0.915) 3.021 3.932 ( 0.003 -0.233 -0.152) 0.279 4.143 ( 3.422 -3.481 0.527) 4.910 4.291 ( 1.091 -0.632 -1.250) 1.775 4.706 ( -0.859 3.553 -1.088) 3.814 5.124 ( -4.796 -7.456 -2.874) 9.320======================= Grid point 295 (115/288) =======================q-point: ( 0.57 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.801 ( 6.844 4.269 0.724) 8.099 2.023 ( 12.016 -1.857 -6.668) 13.867 2.325 ( 4.723 7.612 2.669) 9.348 2.388 ( -0.205 0.510 2.382) 2.444 2.506 ( -0.663 -2.663 2.338) 3.605 3.344 ( -4.381 5.482 -1.533) 7.183 3.885 ( -0.161 0.772 2.682) 2.795 3.940 ( 2.492 -0.390 -1.120) 2.760 4.183 ( 0.193 2.363 -1.185) 2.650 4.318 ( 5.855 -3.747 -0.019) 6.951 4.723 ( -1.796 4.250 -0.304) 4.624 4.947 ( -6.495 -5.732 -1.416) 8.777======================= Grid point 296 (116/288) =======================q-point: ( 0.64 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.962 ( 6.671 2.296 0.629) 7.083 2.173 ( 6.294 1.555 -1.571) 6.671 2.351 ( -1.820 -3.282 0.803) 3.838 2.448 ( -1.736 1.985 0.849) 2.771 2.592 ( 14.234 1.629 1.729) 14.430 3.282 ( -6.486 3.094 -2.342) 7.558 3.881 ( 0.019 -0.931 0.938) 1.322 3.986 ( 2.234 0.050 -0.293) 2.254 4.159 ( -4.619 1.933 -0.774) 5.066 4.425 ( 8.984 -2.243 0.316) 9.266 4.708 ( -3.604 1.667 -0.351) 3.986 4.810 ( -4.251 -1.617 -0.023) 4.548======================= Grid point 297 (117/288) =======================q-point: (-0.29 -0.57 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.046 ( 1.670 -1.687 -0.668) 2.466 2.255 ( 1.981 0.558 -0.202) 2.068 2.289 ( -1.761 -1.071 -0.091) 2.063 2.414 ( -1.785 -0.353 -0.251) 1.837 2.896 ( 16.758 0.269 1.375) 16.817 3.181 ( -7.953 2.579 0.062) 8.361 3.887 ( 1.637 -0.766 -0.100) 1.810 3.986 ( -2.800 -0.353 -0.659) 2.898 4.098 ( -1.946 0.358 0.259) 1.995 4.555 ( 6.614 0.117 0.428) 6.629 4.657 ( -2.800 0.654 -0.263) 2.888 4.745 ( -2.771 -0.528 0.006) 2.821======================= Grid point 298 (118/288) =======================q-point: (-0.21 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.987 ( -3.625 -3.666 -0.715) 5.205 2.251 ( -1.555 -1.173 0.123) 1.952 2.261 ( -0.793 -1.685 -0.548) 1.941 2.417 ( 0.848 2.485 0.234) 2.636 3.019 ( -4.787 -5.773 1.835) 7.721 3.159 ( 6.215 2.492 -0.834) 6.747 3.903 ( -2.620 -1.587 0.513) 3.106 3.929 ( 1.008 1.786 -0.719) 2.173 4.104 ( 1.150 0.795 -0.174) 1.409 4.588 ( -2.855 -5.129 0.356) 5.881 4.647 ( 1.980 2.204 0.039) 2.963 4.737 ( 1.207 3.076 -0.215) 3.311======================= Grid point 299 (119/288) =======================q-point: (-0.14 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.885 ( -4.895 -1.202 -0.028) 5.041 2.181 ( -4.609 -1.002 0.348) 4.729 2.230 ( -0.218 -3.578 -0.211) 3.591 2.462 ( -0.008 3.428 0.821) 3.525 2.856 ( -6.561 -5.572 2.960) 9.103 3.215 ( 1.312 -3.060 -4.076) 5.263 3.859 ( -1.899 0.876 1.887) 2.817 3.961 ( 0.841 -0.339 -0.678) 1.133 4.145 ( 1.715 2.358 -1.107) 3.119 4.463 ( -2.750 -8.980 0.359) 9.398 4.702 ( 0.829 3.352 -0.225) 3.461 4.819 ( 3.794 4.623 -0.143) 5.983======================= Grid point 300 (120/288) =======================q-point: (-0.07 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.790 ( -6.827 2.794 -2.360) 7.745 2.066 ( -8.049 -0.836 -1.602) 8.249 2.185 ( -0.587 -4.446 2.320) 5.050 2.467 ( -3.565 2.558 -0.054) 4.388 2.749 ( -0.380 -4.189 4.217) 5.956 3.162 ( -1.345 -2.999 -2.476) 4.115 3.856 ( -0.914 1.591 2.491) 3.094 3.944 ( -1.498 -0.919 -0.994) 2.019 4.182 ( 0.422 1.402 -1.787) 2.311 4.342 ( -0.036 -9.487 0.518) 9.501 4.725 ( -2.177 3.803 -0.448) 4.405 4.956 ( 6.974 3.650 -1.320) 7.981======================= Grid point 308 (121/288) =======================q-point: ( 0.50 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.683 ( 0.000 1.555 -2.843) 3.241 1.710 ( 0.000 -1.424 -6.436) 6.591 2.254 ( -0.000 4.826 2.328) 5.358 2.395 ( -0.000 2.478 1.937) 3.145 2.534 ( -0.000 -2.969 3.106) 4.297 3.429 ( -0.000 7.504 1.396) 7.633 3.851 ( -0.000 1.859 -0.003) 1.859 3.939 ( 0.000 0.403 -0.182) 0.442 4.063 ( -0.000 -3.896 1.471) 4.165 4.289 ( 0.000 0.904 -1.632) 1.865 4.760 ( -0.000 5.982 -0.414) 5.996 5.076 ( 0.000 -8.445 -2.304) 8.754======================= Grid point 309 (122/288) =======================q-point: ( 0.57 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.731 ( 4.592 2.028 0.084) 5.021 1.787 ( 9.914 0.111 -2.293) 10.176 2.314 ( 2.468 2.140 0.245) 3.276 2.401 ( -0.373 -1.549 2.852) 3.267 2.518 ( -1.055 0.021 0.809) 1.330 3.454 ( -3.091 3.226 -1.481) 4.707 3.888 ( 2.358 0.969 0.155) 2.554 3.917 ( -1.819 -0.617 0.303) 1.945 4.103 ( 6.486 -1.018 0.579) 6.591 4.284 ( -1.114 0.542 -1.115) 1.666 4.813 ( -1.871 6.999 0.314) 7.252 4.958 ( -3.027 -7.573 -1.211) 8.245======================= Grid point 310 (123/288) =======================q-point: (-0.36 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.840 ( 7.209 -0.943 -1.159) 7.362 2.021 ( 12.443 3.823 2.651) 13.284 2.347 ( -0.089 -1.826 -2.636) 3.208 2.421 ( 5.798 -2.079 3.228) 6.954 2.495 ( -1.720 0.394 0.269) 1.785 3.397 ( -4.617 0.842 -1.762) 5.013 3.878 ( -0.875 -1.555 -1.044) 2.067 3.945 ( 2.563 0.668 0.767) 2.757 4.242 ( 3.853 3.780 -0.403) 5.412 4.250 ( 2.346 -3.058 0.358) 3.870 4.796 ( -4.744 -0.674 -0.364) 4.805 4.862 ( -3.111 1.305 0.603) 3.427======================= Grid point 311 (124/288) =======================q-point: (-0.29 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.935 ( 6.158 -3.765 -1.963) 7.480 2.200 ( 3.588 -0.826 0.800) 3.767 2.314 ( -0.490 1.168 -2.853) 3.121 2.429 ( -0.967 -3.067 -0.537) 3.261 2.620 ( 14.000 -0.741 4.030) 14.587 3.316 ( -5.113 0.138 1.198) 5.253 3.855 ( 0.502 -1.294 -1.775) 2.253 3.987 ( 1.520 0.226 -0.106) 1.540 4.171 ( -4.804 -0.784 0.411) 4.885 4.428 ( 9.188 2.351 0.596) 9.503 4.710 ( -3.115 -1.212 -0.148) 3.346 4.814 ( -5.153 1.844 0.377) 5.486======================= Grid point 312 (125/288) =======================q-point: (-0.21 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.941 ( 1.660 -6.695 -2.726) 7.417 2.197 ( 2.049 -4.598 -0.408) 5.051 2.305 ( -2.898 0.545 -1.611) 3.360 2.414 ( 1.733 0.599 -0.781) 1.993 2.848 ( 11.452 -4.648 2.083) 12.534 3.233 ( -5.215 0.061 4.121) 6.647 3.862 ( 2.055 -0.886 -2.155) 3.106 3.985 ( -2.169 0.340 -0.753) 2.321 4.109 ( -1.233 0.533 1.152) 1.769 4.574 ( 3.078 -0.289 0.592) 3.148 4.654 ( -2.268 0.148 0.791) 2.407 4.756 ( -1.450 2.447 -0.675) 2.923======================= Grid point 313 (126/288) =======================q-point: (-0.14 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.887 ( 0.741 -5.325 -0.520) 5.402 2.184 ( 1.543 -4.758 -0.234) 5.007 2.234 ( -3.712 -1.306 -1.105) 4.087 2.468 ( 2.553 1.845 -0.469) 3.185 2.868 ( -1.422 -8.031 0.413) 8.166 3.185 ( -1.507 -0.799 2.093) 2.700 3.875 ( 0.624 -0.634 -1.557) 1.793 3.956 ( -0.690 0.332 0.293) 0.821 4.136 ( 1.674 2.166 0.726) 2.832 4.464 ( -6.360 -6.736 0.039) 9.264 4.699 ( 2.787 2.399 0.286) 3.688 4.818 ( 2.082 5.242 0.118) 5.641======================= Grid point 314 (127/288) =======================q-point: (-0.07 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.866 ( -0.235 -0.407 -0.000) 0.470 2.145 ( -2.291 -3.967 -0.000) 4.581 2.154 ( -1.622 -2.810 -0.000) 3.245 2.514 ( 0.511 0.884 -0.000) 1.021 2.735 ( -3.348 -5.798 -0.000) 6.695 3.143 ( -1.573 -2.725 -0.000) 3.147 3.876 ( 0.175 0.303 -0.000) 0.349 3.951 ( -0.318 -0.551 0.000) 0.636 4.188 ( 1.157 2.004 -0.000) 2.314 4.289 ( -4.589 -7.948 -0.000) 9.177 4.782 ( 2.268 3.928 -0.000) 4.536 4.897 ( 2.151 3.726 0.000) 4.302======================= Grid point 324 (128/288) =======================q-point: (-0.43 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.710 ( -0.000 1.496 1.654) 2.230 1.713 ( -0.000 3.284 3.052) 4.483 2.294 ( 0.000 -1.244 -1.506) 1.953 2.391 ( -0.000 -1.934 1.245) 2.300 2.530 ( -0.000 -0.301 0.227) 0.377 3.486 ( 0.000 -0.908 -3.757) 3.865 3.871 ( -0.000 0.009 0.117) 0.117 3.943 ( 0.000 0.087 -0.059) 0.105 4.026 ( -0.000 -0.586 0.983) 1.145 4.300 ( 0.000 0.799 -0.712) 1.070 4.894 ( 0.000 -4.568 -0.699) 4.622 4.922 ( -0.000 5.685 1.169) 5.804======================= Grid point 325 (129/288) =======================q-point: (-0.36 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.739 ( 2.633 0.169 1.839) 3.216 1.885 ( 10.212 5.996 7.111) 13.813 2.276 ( 1.894 -4.827 -3.801) 6.429 2.375 ( 0.027 -1.450 0.445) 1.517 2.512 ( -0.890 -1.341 -0.074) 1.612 3.429 ( -1.636 -3.989 -4.233) 6.042 3.868 ( -0.251 -1.529 -1.228) 1.977 3.930 ( 0.032 0.458 1.044) 1.140 4.102 ( 6.944 0.533 0.512) 6.984 4.294 ( -1.262 0.827 -0.084) 1.512 4.808 ( -1.884 -5.958 -0.075) 6.249 4.984 ( -3.341 8.500 1.405) 9.241======================= Grid point 326 (130/288) =======================q-point: (-0.29 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.799 ( 4.422 -2.393 0.699) 5.077 2.131 ( 5.343 1.455 3.024) 6.310 2.248 ( 6.080 -4.937 -4.405) 8.986 2.376 ( 1.510 -2.105 2.067) 3.315 2.497 ( 1.709 -0.194 0.937) 1.959 3.347 ( -1.107 -5.389 -1.451) 5.689 3.834 ( -0.556 -1.605 -2.487) 3.011 3.958 ( 1.896 0.112 0.744) 2.040 4.202 ( 1.048 -1.846 0.844) 2.285 4.324 ( 5.314 4.121 0.452) 6.740 4.727 ( -1.922 -3.359 0.162) 3.873 4.971 ( -7.243 6.434 1.071) 9.747======================= Grid point 327 (131/288) =======================q-point: (-0.21 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.819 ( 2.732 -6.549 -2.107) 7.402 2.097 ( 1.845 -8.053 -1.914) 8.481 2.340 ( 2.142 1.660 -3.751) 4.628 2.357 ( 0.435 -4.043 1.319) 4.275 2.640 ( 10.470 0.868 4.892) 11.589 3.276 ( -0.966 -5.671 2.003) 6.092 3.815 ( 1.115 -1.055 -3.258) 3.602 3.987 ( 1.080 -0.550 -0.062) 1.213 4.157 ( -2.980 -0.339 1.373) 3.299 4.496 ( 7.177 3.037 0.879) 7.842 4.679 ( -1.082 -1.574 0.423) 1.956 4.884 ( -8.583 5.098 0.493) 9.995======================= Grid point 328 (132/288) =======================q-point: (-0.14 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.776 ( 3.067 -8.153 -1.463) 8.833 2.073 ( 3.950 -7.633 0.510) 8.610 2.277 ( -3.501 -2.187 -1.713) 4.469 2.408 ( 4.367 -1.060 -1.056) 4.616 2.783 ( 4.236 -2.094 0.510) 4.753 3.213 ( -1.335 -4.272 3.381) 5.609 3.830 ( 2.414 -0.576 -3.362) 4.178 3.972 ( -1.131 -1.701 0.205) 2.053 4.144 ( 0.037 2.066 1.824) 2.756 4.524 ( -5.328 -3.826 -0.049) 6.560 4.670 ( 1.625 -0.010 0.964) 1.889 4.866 ( -0.583 8.270 0.802) 8.329======================= Grid point 339 (133/288) =======================q-point: (-0.36 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.761 ( -0.000 1.324 5.496) 5.653 1.861 ( -0.000 6.397 9.057) 11.089 2.187 ( 0.000 -7.359 -4.962) 8.875 2.359 ( 0.000 -1.819 -0.802) 1.988 2.504 ( 0.000 -1.253 -0.821) 1.498 3.357 ( 0.000 -8.901 -6.106) 10.794 3.855 ( -0.000 -1.635 0.407) 1.685 3.939 ( 0.000 -0.511 -0.199) 0.549 4.049 ( -0.000 2.619 0.023) 2.619 4.310 ( -0.000 0.311 0.525) 0.610 4.769 ( -0.000 -4.859 0.494) 4.884 5.113 ( -0.000 9.407 1.526) 9.530======================= Grid point 340 (134/288) =======================q-point: (-0.29 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.767 ( -1.040 -0.071 5.258) 5.360 2.045 ( 9.860 2.132 6.705) 12.113 2.082 ( -0.165 -10.213 -6.288) 11.995 2.346 ( 0.936 -1.553 2.185) 2.839 2.493 ( -0.258 1.311 -1.743) 2.196 3.242 ( 1.427 -12.035 -4.858) 13.057 3.827 ( -1.057 -1.958 -0.663) 2.321 3.934 ( 0.770 -0.408 0.037) 0.873 4.139 ( 5.042 3.313 0.178) 6.035 4.314 ( 0.397 0.767 0.967) 1.297 4.722 ( -1.057 -2.690 0.624) 2.957 5.164 ( -5.156 8.434 1.244) 9.963======================= Grid point 341 (135/288) =======================q-point: (-0.21 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.737 ( -1.143 -5.660 -0.110) 5.775 1.954 ( 2.194 -12.128 -3.554) 12.827 2.210 ( 7.684 -3.574 0.776) 8.510 2.360 ( -0.380 -1.190 2.089) 2.434 2.558 ( 4.593 5.661 3.284) 7.995 3.153 ( 4.033 -12.800 -2.525) 13.656 3.790 ( -0.476 -1.382 -2.026) 2.498 3.953 ( 1.709 -0.978 -0.087) 1.971 4.200 ( -1.158 1.037 1.193) 1.960 4.407 ( 7.048 3.887 0.902) 8.099 4.686 ( -1.267 -0.958 0.612) 1.702 5.113 ( -9.575 7.067 1.003) 11.943======================= Grid point 342 (136/288) =======================q-point: (-0.14 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.633 ( 1.482 -10.788 -2.907) 11.270 1.912 ( 4.754 -9.701 1.739) 10.942 2.266 ( 2.900 -5.751 1.422) 6.596 2.328 ( 0.237 -0.873 -2.031) 2.223 2.714 ( 4.709 3.489 2.620) 6.420 3.112 ( 5.315 -10.597 -1.326) 11.929 3.780 ( 1.341 -0.525 -2.661) 3.025 3.957 ( 0.359 -2.294 -0.069) 2.323 4.186 ( -1.587 2.085 1.581) 3.060 4.537 ( 1.911 0.836 0.011) 2.086 4.663 ( -0.761 -0.267 1.007) 1.290 5.027 ( -7.509 8.327 1.879) 11.369======================= Grid point 354 (137/288) =======================q-point: (-0.29 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.818 ( -0.000 -0.939 7.952) 8.007 1.946 ( -0.000 -5.467 1.933) 5.799 1.957 ( 0.000 -10.411 -7.713) 12.957 2.344 ( -0.000 0.480 7.099) 7.115 2.516 ( 0.000 4.233 -2.539) 4.936 3.060 ( 0.000 -17.081 -5.794) 18.037 3.816 ( -0.000 -2.554 0.979) 2.736 3.921 ( 0.000 -0.953 -0.838) 1.269 4.143 ( -0.000 7.184 -0.423) 7.197 4.314 ( -0.000 -0.693 1.368) 1.533 4.716 ( -0.000 -0.902 0.622) 1.096 5.300 ( -0.000 8.492 0.896) 8.540======================= Grid point 355 (138/288) =======================q-point: (-0.21 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.730 ( -6.310 -11.921 -6.320) 14.895 1.784 ( 1.880 -9.826 1.989) 10.200 2.025 ( 8.741 -4.725 0.976) 9.984 2.368 ( -0.480 -0.754 4.755) 4.839 2.583 ( 1.669 6.553 3.948) 7.830 2.900 ( 4.569 -17.977 -5.966) 19.484 3.784 ( -0.900 -2.193 0.244) 2.383 3.916 ( 1.015 -1.024 -0.874) 1.686 4.234 ( 0.230 4.337 0.720) 4.402 4.343 ( 4.458 2.939 1.217) 5.477 4.707 ( -1.055 0.721 0.355) 1.326 5.329 ( -6.089 7.568 0.544) 9.728======================= Grid point 356 (139/288) =======================q-point: (-0.14 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.488 ( -1.434 -15.715 -7.058) 17.287 1.742 ( 3.855 -10.767 3.222) 11.881 2.123 ( 6.789 -4.464 2.792) 8.591 2.334 ( -1.913 -2.184 -0.032) 2.904 2.685 ( 4.427 -3.019 6.840) 8.689 2.851 ( 7.734 -8.244 -7.258) 13.434 3.756 ( 0.045 -1.040 -0.827) 1.329 3.922 ( 1.050 -1.763 -0.521) 2.118 4.236 ( -1.373 0.973 1.204) 2.069 4.500 ( 5.118 5.414 0.723) 7.485 4.695 ( -1.808 1.463 0.298) 2.345 5.263 ( -9.240 7.242 1.411) 11.824======================= Grid point 369 (140/288) =======================q-point: (-0.21 -0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.590 ( 0.000 -16.477 -7.312) 18.026 1.692 ( 0.000 -16.125 -5.805) 17.138 1.918 ( -0.000 1.401 6.350) 6.502 2.371 ( -0.000 -2.796 2.101) 3.498 2.566 ( -0.000 -18.931 7.441) 20.341 2.727 ( 0.000 4.953 -5.097) 7.107 3.770 ( -0.000 -2.670 1.450) 3.038 3.895 ( 0.000 -0.791 -1.501) 1.697 4.264 ( -0.000 -1.343 1.225) 1.818 4.356 ( -0.000 9.632 1.584) 9.762 4.733 ( 0.000 2.347 -0.343) 2.372 5.458 ( -0.000 7.162 -0.302) 7.169======================= Grid point 370 (141/288) =======================q-point: (-0.14 -0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.333 ( -4.153 -18.812 -9.957) 21.686 1.555 ( 4.245 -15.418 -1.692) 16.081 2.001 ( 5.014 -0.417 5.615) 7.539 2.317 ( 1.589 -9.839 -0.604) 9.984 2.407 ( 4.550 -19.677 1.310) 20.239 2.827 ( 0.898 9.495 1.524) 9.658 3.745 ( -0.302 -1.935 0.860) 2.139 3.890 ( 0.668 -0.871 -1.253) 1.666 4.239 ( 0.253 -3.265 1.172) 3.478 4.508 ( 3.325 10.726 2.640) 11.535 4.748 ( -1.428 3.392 -1.038) 3.823 5.470 ( -5.987 6.391 -0.269) 8.761======================= Grid point 384 (142/288) =======================q-point: (-0.14 -0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.188 ( 0.000 -18.345 -9.326) 20.579 1.288 ( 0.000 -19.489 -8.533) 21.276 1.984 ( -0.000 1.125 6.316) 6.415 2.016 ( 0.000 -30.241 2.221) 30.323 2.321 ( 0.000 -5.162 -1.666) 5.424 2.928 ( -0.000 9.216 4.208) 10.131 3.731 ( -0.000 -2.116 1.495) 2.590 3.875 ( 0.000 -0.175 -1.678) 1.687 4.189 ( -0.000 -5.818 1.541) 6.019 4.609 ( -0.000 11.935 5.259) 13.042 4.798 ( 0.000 4.948 -2.551) 5.567 5.580 ( 0.000 5.628 -1.861) 5.927======================= Grid point 431 (143/288) =======================q-point: ( 0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.377 ( -0.000 0.000 20.128) 20.128 0.377 ( -0.000 0.000 20.128) 20.128 0.635 ( -0.000 0.000 34.286) 34.286 2.009 ( 0.000 -0.000 -4.304) 4.304 2.009 ( 0.000 -0.000 -4.304) 4.304 3.650 ( 0.000 -0.000 -13.908) 13.908 3.675 ( 0.000 -0.000 -0.706) 0.706 3.675 ( 0.000 -0.000 -0.706) 0.706 3.893 ( -0.000 0.000 1.214) 1.214 3.893 ( -0.000 0.000 1.214) 1.214 5.009 ( -0.000 0.000 6.953) 6.953 5.884 ( 0.000 -0.000 -1.000) 1.000======================= Grid point 432 (144/288) =======================q-point: ( 0.21 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.442 ( 6.491 3.748 13.512) 15.451 0.549 ( 5.622 3.246 19.211) 20.278 1.068 ( 22.863 13.200 19.745) 32.967 2.003 ( 2.156 1.245 -5.622) 6.149 2.033 ( 1.662 0.959 -3.269) 3.790 3.192 ( -6.357 -3.670 -3.764) 8.249 3.685 ( 0.687 0.397 -0.749) 1.091 3.885 ( -0.680 -0.393 1.224) 1.455 3.955 ( 5.607 3.237 0.920) 6.539 4.550 ( 20.974 12.110 -27.946) 36.981 5.048 ( 1.324 0.764 4.842) 5.078 5.724 ( -10.599 -6.120 0.900) 12.272======================= Grid point 433 (145/288) =======================q-point: ( 0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.695 ( 12.066 6.966 5.631) 15.027 0.776 ( 9.791 5.653 9.564) 14.808 1.630 ( 20.640 11.916 4.207) 24.201 2.065 ( 1.803 1.041 -2.014) 2.897 2.090 ( 7.280 4.203 0.101) 8.407 3.100 ( -1.426 -0.823 -4.066) 4.387 3.703 ( 1.234 0.712 -1.101) 1.800 3.872 ( -0.670 -0.387 1.386) 1.588 4.103 ( 6.096 3.520 1.474) 7.192 4.711 ( 2.567 1.482 -10.351) 10.767 5.043 ( -4.296 -2.480 5.077) 7.098 5.474 ( -9.520 -5.496 -6.232) 12.637======================= Grid point 434 (146/288) =======================q-point: ( 0.36 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.004 ( 13.477 7.781 1.226) 15.610 1.038 ( 11.359 6.558 1.123) 13.164 1.957 ( 9.825 5.672 -10.498) 15.457 2.103 ( 1.782 1.029 -0.499) 2.118 2.392 ( 15.723 9.078 10.643) 21.045 3.090 ( 0.920 0.531 0.155) 1.073 3.737 ( 2.008 1.159 -1.506) 2.764 3.865 ( -0.271 -0.156 1.534) 1.566 4.215 ( 3.082 1.779 -0.136) 3.562 4.694 ( -1.731 -0.999 -2.810) 3.449 4.860 ( -12.533 -7.236 7.326) 16.220 5.289 ( -4.069 -2.349 -10.978) 11.941======================= Grid point 435 (147/288) =======================q-point: ( 0.43 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.299 ( 11.628 6.713 -3.998) 14.009 1.307 ( 12.637 7.296 -1.675) 14.688 2.122 ( 7.802 4.504 -6.993) 11.404 2.142 ( 1.532 0.885 1.291) 2.190 2.734 ( 9.875 5.701 5.250) 12.554 3.139 ( 2.467 1.425 5.598) 6.282 3.786 ( 2.609 1.506 -1.723) 3.471 3.870 ( 0.296 0.171 1.553) 1.591 4.240 ( -0.490 -0.283 -1.783) 1.871 4.548 ( -12.749 -7.360 4.833) 15.494 4.660 ( -2.028 -1.171 -2.602) 3.501 5.200 ( -1.941 -1.120 -6.595) 6.965======================= Grid point 436 (148/288) =======================q-point: ( 0.50 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.546 ( 11.138 6.431 -6.173) 14.266 1.564 ( 10.213 5.897 -3.877) 12.414 2.177 ( 0.784 0.453 3.215) 3.340 2.284 ( 7.354 4.246 -2.735) 8.921 2.842 ( -0.844 -0.487 1.114) 1.480 3.206 ( 0.531 0.307 7.269) 7.295 3.839 ( 2.270 1.310 -1.594) 3.068 3.889 ( 0.922 0.532 1.347) 1.716 4.191 ( -3.114 -1.798 -0.693) 3.662 4.319 ( -6.657 -3.843 0.673) 7.716 4.656 ( 2.491 1.438 -1.837) 3.413 5.137 ( -2.707 -1.563 -2.888) 4.255======================= Grid point 437 (149/288) =======================q-point: ( 0.57 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.749 ( 7.152 4.129 -5.364) 9.848 1.767 ( 9.591 5.537 -6.965) 13.083 2.190 ( -0.987 -0.570 4.831) 4.964 2.424 ( 4.706 2.717 -0.933) 5.514 2.745 ( -6.237 -3.601 -2.133) 7.512 3.200 ( -2.353 -1.359 8.587) 9.007 3.873 ( 0.982 0.567 -0.774) 1.373 3.918 ( 1.176 0.679 0.560) 1.469 4.122 ( -2.193 -1.266 -0.467) 2.576 4.238 ( -1.315 -0.759 0.191) 1.531 4.761 ( 6.367 3.676 -0.621) 7.378 5.048 ( -4.439 -2.563 -1.564) 5.359======================= Grid point 438 (150/288) =======================q-point: (-0.36 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.864 ( 4.441 2.564 -5.824) 7.760 1.930 ( 5.690 3.285 -5.421) 8.518 2.150 ( -4.063 -2.346 5.581) 7.291 2.471 ( -0.012 -0.007 -1.451) 1.451 2.605 ( -4.311 -2.489 -4.871) 6.965 3.182 ( -1.388 -0.801 9.823) 9.953 3.883 ( 0.035 0.020 -0.420) 0.422 3.936 ( 0.115 0.066 0.311) 0.338 4.087 ( -0.786 -0.454 -1.569) 1.813 4.242 ( 1.188 0.686 1.781) 2.248 4.879 ( -1.093 -0.631 0.128) 1.268 4.969 ( 2.836 1.637 -0.874) 3.389======================= Grid point 439 (151/288) =======================q-point: (-0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.923 ( 1.712 0.988 -3.798) 4.282 1.975 ( -1.537 -0.887 1.983) 2.661 2.032 ( -7.146 -4.126 3.900) 9.126 2.473 ( -0.439 -0.253 -0.091) 0.515 2.513 ( 0.023 0.013 -9.829) 9.829 3.166 ( -3.530 -2.038 6.317) 7.518 3.872 ( -0.860 -0.496 -0.725) 1.229 3.925 ( -1.060 -0.612 0.741) 1.430 4.080 ( 1.034 0.597 -1.944) 2.281 4.289 ( 2.019 1.166 1.922) 3.022 4.778 ( -4.359 -2.516 -0.023) 5.033 5.117 ( 7.068 4.081 1.242) 8.255======================= Grid point 440 (152/288) =======================q-point: (-0.21 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.804 ( -11.815 -6.821 8.126) 15.879 1.869 ( -9.001 -5.196 8.295) 13.297 1.968 ( 1.495 0.863 -7.552) 7.747 2.414 ( -2.402 -1.387 2.225) 3.556 2.595 ( 7.153 4.130 -11.394) 14.073 2.998 ( -12.535 -7.237 0.325) 14.478 3.837 ( -1.847 -1.066 -1.331) 2.513 3.900 ( -1.271 -0.734 1.442) 2.057 4.152 ( 5.987 3.457 -1.356) 7.045 4.326 ( 0.687 0.397 0.031) 0.794 4.715 ( -1.076 -0.621 0.703) 1.427 5.283 ( 6.780 3.915 2.763) 8.303======================= Grid point 441 (153/288) =======================q-point: (-0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.518 ( -14.777 -8.532 8.242) 18.950 1.623 ( -14.275 -8.242 9.222) 18.888 1.979 ( 1.208 0.698 -6.823) 6.965 2.374 ( -2.585 -1.492 1.662) 3.416 2.591 ( -20.529 -11.852 1.417) 23.747 2.757 ( 7.973 4.603 -10.664) 14.088 3.784 ( -2.263 -1.307 -1.533) 3.030 3.880 ( -0.769 -0.444 1.687) 1.906 4.271 ( -0.492 -0.284 -0.453) 0.726 4.378 ( 8.646 4.992 -3.099) 10.454 4.727 ( 1.700 0.982 0.996) 2.201 5.443 ( 6.220 3.591 3.194) 7.861======================= Grid point 446 (154/288) =======================q-point: ( 0.21 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.575 ( -0.000 15.626 10.659) 18.915 0.707 ( -0.000 13.320 15.843) 20.698 1.047 ( -0.000 17.932 24.780) 30.588 1.941 ( 0.000 -1.762 -6.485) 6.720 2.059 ( 0.000 5.470 -4.175) 6.881 3.177 ( 0.000 -9.115 -4.358) 10.103 3.668 ( 0.000 0.122 -0.923) 0.931 3.904 ( -0.000 -0.064 1.457) 1.458 3.913 ( 0.000 5.044 -0.824) 5.111 4.460 ( 0.000 23.137 -23.930) 33.286 5.063 ( -0.000 0.271 5.814) 5.820 5.762 ( 0.000 -7.807 -0.592) 7.830======================= Grid point 447 (155/288) =======================q-point: ( 0.29 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.782 ( -0.228 19.587 5.470) 20.338 0.834 ( -1.360 12.802 16.376) 20.831 1.472 ( 15.178 17.119 9.794) 24.887 1.959 ( 6.164 -0.223 -3.560) 7.122 2.104 ( 0.212 5.993 -3.467) 6.927 3.078 ( -0.724 -4.167 -5.302) 6.783 3.686 ( 1.453 0.497 -0.734) 1.702 3.882 ( -1.092 -0.112 0.714) 1.310 4.042 ( 5.874 4.653 1.135) 7.579 4.615 ( 5.636 4.852 -14.214) 16.042 5.061 ( -0.891 -3.794 4.929) 6.284 5.593 ( -9.628 -5.344 -3.588) 11.582======================= Grid point 448 (156/288) =======================q-point: ( 0.36 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.983 ( 1.708 14.799 11.274) 18.682 1.042 ( 4.304 16.037 1.026) 16.636 1.813 ( 9.710 7.585 -8.836) 15.162 2.103 ( 2.694 4.887 -3.192) 6.429 2.255 ( 13.049 8.599 9.486) 18.281 3.046 ( 2.069 -2.309 -2.451) 3.952 3.718 ( 1.483 1.409 -0.712) 2.165 3.871 ( -0.299 -0.139 0.766) 0.834 4.173 ( 4.076 2.612 0.527) 4.870 4.666 ( 2.241 -1.120 -5.497) 6.041 4.966 ( -5.417 -8.602 6.611) 12.126 5.353 ( -10.075 -2.236 -8.760) 13.537======================= Grid point 449 (157/288) =======================q-point: ( 0.43 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.201 ( 5.227 11.128 6.231) 13.783 1.291 ( 6.178 16.055 -3.334) 17.522 1.996 ( 8.561 4.897 -7.101) 12.154 2.159 ( 0.741 4.568 -2.697) 5.356 2.619 ( 12.730 7.370 6.648) 16.142 3.087 ( 4.656 -1.190 2.362) 5.355 3.764 ( 1.922 2.222 -0.762) 3.035 3.872 ( 0.032 0.348 1.020) 1.078 4.226 ( 0.940 -0.245 -1.399) 1.703 4.649 ( -1.085 -2.078 -1.043) 2.566 4.742 ( -12.030 -7.261 4.106) 14.639 5.190 ( -3.148 -2.504 -7.699) 8.687======================= Grid point 450 (158/288) =======================q-point: ( 0.50 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.419 ( 7.135 8.734 1.059) 11.328 1.542 ( 6.156 14.506 -4.145) 16.294 2.159 ( 5.327 3.354 -0.724) 6.337 2.224 ( 3.143 5.605 -2.167) 6.782 2.816 ( 4.132 0.422 0.974) 4.266 3.180 ( 4.445 -0.621 5.275) 6.926 3.822 ( 2.061 2.807 -0.876) 3.590 3.884 ( 0.274 0.576 1.532) 1.660 4.205 ( -1.061 -1.975 -1.819) 2.887 4.466 ( -12.407 -2.506 1.760) 12.779 4.632 ( 0.505 -0.127 -2.066) 2.130 5.120 ( -0.220 -4.241 -3.113) 5.266======================= Grid point 451 (159/288) =======================q-point: ( 0.57 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.618 ( 7.073 6.268 -1.836) 9.627 1.759 ( 4.738 12.930 -5.309) 14.759 2.222 ( -0.220 1.999 3.201) 3.780 2.367 ( 5.723 4.970 -1.311) 7.692 2.795 ( -3.861 -3.611 -2.087) 5.684 3.225 ( 0.699 -2.027 6.143) 6.506 3.873 ( 0.465 2.631 -0.954) 2.837 3.904 ( 1.213 0.321 1.535) 1.983 4.159 ( -1.586 -0.692 -1.049) 2.023 4.294 ( -6.706 0.720 0.079) 6.745 4.685 ( 4.985 2.041 -0.925) 5.466 5.056 ( -1.371 -5.200 -1.275) 5.527======================= Grid point 452 (160/288) =======================q-point: ( 0.64 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.765 ( 5.202 3.351 -3.960) 7.347 1.930 ( 3.034 11.156 -5.745) 12.910 2.218 ( -3.126 0.160 4.870) 5.789 2.472 ( 1.701 2.687 -0.969) 3.325 2.645 ( -6.052 -3.770 -5.011) 8.715 3.230 ( -0.645 -0.715 8.966) 9.017 3.881 ( -0.471 0.025 -0.305) 0.561 3.934 ( 0.778 0.908 0.167) 1.208 4.139 ( -2.358 3.613 -1.042) 4.439 4.237 ( -0.809 -0.015 1.084) 1.352 4.815 ( 6.916 1.309 0.061) 7.039 4.962 ( -2.492 -4.583 -1.212) 5.356======================= Grid point 453 (161/288) =======================q-point: (-0.29 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.839 ( 2.930 -0.105 -4.351) 5.247 2.043 ( 0.164 8.173 -2.873) 8.665 2.139 ( -6.692 -2.183 5.265) 8.790 2.480 ( -1.454 3.269 -4.843) 6.021 2.524 ( -2.984 -3.078 -3.285) 5.400 3.237 ( -2.442 0.463 8.451) 8.809 3.861 ( -0.455 -1.967 -0.674) 2.128 3.943 ( -0.692 0.644 0.176) 0.961 4.132 ( -3.231 5.682 -1.436) 6.692 4.263 ( 2.589 0.296 1.930) 3.243 4.812 ( -3.344 -4.447 -0.228) 5.568 5.005 ( 8.210 0.795 0.022) 8.249======================= Grid point 454 (162/288) =======================q-point: (-0.21 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.832 ( -0.533 -5.789 0.515) 5.837 1.978 ( -9.410 -3.321 2.930) 10.401 2.076 ( -4.624 6.177 1.614) 7.883 2.438 ( -2.376 -2.600 -1.576) 3.858 2.517 ( 3.127 5.733 -8.585) 10.787 3.155 ( -9.748 -2.269 4.277) 10.884 3.827 ( -0.326 -2.917 -0.724) 3.023 3.929 ( -1.661 0.516 0.745) 1.892 4.151 ( -0.145 6.005 -1.153) 6.117 4.318 ( 1.610 1.661 0.517) 2.370 4.727 ( -1.855 -2.358 0.125) 3.003 5.163 ( 9.373 -0.418 1.290) 9.471======================= Grid point 455 (163/288) =======================q-point: (-0.14 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.653 ( -11.002 -11.689 9.027) 18.416 1.802 ( -9.027 -3.255 -0.090) 9.597 2.035 ( -5.831 5.817 -1.687) 8.407 2.387 ( -1.011 -2.305 0.287) 2.533 2.643 ( 7.026 6.139 -8.214) 12.431 2.863 ( -19.665 -5.930 1.721) 20.611 3.788 ( -0.893 -2.415 -0.744) 2.680 3.907 ( -1.689 0.501 1.221) 2.143 4.240 ( 3.715 2.664 -0.552) 4.605 4.357 ( 0.664 5.410 -1.710) 5.713 4.707 ( 0.966 -0.530 0.362) 1.159 5.324 ( 9.523 -1.189 1.678) 9.742======================= Grid point 461 (164/288) =======================q-point: ( 0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.988 ( -0.000 19.764 4.464) 20.262 1.069 ( -0.000 14.601 10.433) 17.945 1.578 ( -0.000 22.905 12.995) 26.334 1.869 ( 0.000 -1.227 -6.429) 6.545 2.152 ( 0.000 5.913 -4.352) 7.342 3.021 ( 0.000 -4.657 -3.966) 6.118 3.672 ( 0.000 0.928 -1.001) 1.365 3.909 ( -0.000 -0.197 1.347) 1.361 4.035 ( -0.000 6.721 -0.062) 6.722 4.570 ( 0.000 2.525 -9.986) 10.300 5.032 ( -0.000 -7.180 5.167) 8.846 5.615 ( 0.000 -5.005 -5.378) 7.346======================= Grid point 462 (165/288) =======================q-point: ( 0.36 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.185 ( -0.158 18.378 -0.288) 18.381 1.219 ( -2.789 16.054 12.393) 20.472 1.767 ( 1.174 8.971 -6.873) 11.362 2.033 ( 11.336 9.454 -1.147) 14.805 2.218 ( 3.421 7.208 3.126) 8.569 2.981 ( 1.136 -3.189 -0.896) 3.501 3.699 ( 1.834 1.252 -0.438) 2.263 3.891 ( -1.519 0.674 0.339) 1.696 4.139 ( 3.551 4.192 0.296) 5.502 4.582 ( 3.143 -1.833 -4.845) 6.059 4.944 ( -1.766 -10.057 4.665) 11.227 5.477 ( -8.131 -3.234 -7.200) 11.332======================= Grid point 463 (166/288) =======================q-point: ( 0.43 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.337 ( -0.968 13.661 2.287) 13.885 1.394 ( 0.664 18.128 5.560) 18.973 1.896 ( 7.152 7.263 -6.893) 12.305 2.167 ( 2.285 4.380 -8.361) 9.711 2.506 ( 11.470 9.661 7.330) 16.692 3.000 ( 3.797 -1.703 3.072) 5.173 3.749 ( 2.110 1.733 0.557) 2.787 3.886 ( -0.381 1.559 -0.290) 1.631 4.205 ( 1.102 0.593 -1.009) 1.607 4.603 ( 2.955 -3.175 -1.246) 4.513 4.807 ( -4.047 -9.565 3.855) 11.078 5.261 ( -9.855 -2.400 -7.579) 12.662======================= Grid point 464 (167/288) =======================q-point: ( 0.50 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.472 ( 1.403 11.835 2.871) 12.259 1.613 ( 2.664 16.860 1.549) 17.139 2.088 ( 7.517 7.173 -3.001) 10.816 2.228 ( 2.437 4.583 -4.920) 7.152 2.727 ( 6.431 0.793 0.571) 6.504 3.098 ( 5.661 0.568 4.773) 7.427 3.809 ( 2.267 2.117 1.340) 3.379 3.903 ( -0.084 2.403 0.033) 2.405 4.191 ( -0.750 -2.102 -1.828) 2.885 4.603 ( -0.118 -2.580 0.842) 2.716 4.644 ( -7.091 -3.242 -0.330) 7.804 5.084 ( -3.994 -4.574 -4.238) 7.405======================= Grid point 465 (168/288) =======================q-point: ( 0.57 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.630 ( 2.483 10.457 2.875) 11.125 1.819 ( 2.843 14.613 -1.464) 14.959 2.241 ( 2.789 4.434 0.589) 5.271 2.327 ( 4.505 5.842 -2.094) 7.669 2.777 ( 1.539 -3.192 -2.122) 4.131 3.180 ( 2.874 -1.599 2.616) 4.202 3.874 ( 2.256 1.996 1.309) 3.284 3.921 ( -1.100 2.359 0.693) 2.694 4.149 ( -0.187 -2.349 -1.494) 2.790 4.464 ( -9.682 1.601 -0.322) 9.819 4.631 ( 2.668 0.918 -1.085) 3.023 4.994 ( 0.238 -6.846 -0.984) 6.920======================= Grid point 466 (169/288) =======================q-point: ( 0.64 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.764 ( 1.249 8.032 1.113) 8.204 1.989 ( 2.193 12.100 -3.294) 12.730 2.283 ( -1.768 1.642 3.593) 4.328 2.451 ( 3.858 3.724 -1.009) 5.457 2.705 ( -5.178 -1.717 -5.762) 7.934 3.217 ( 3.136 -1.710 4.665) 5.876 3.904 ( -1.805 -0.334 0.745) 1.981 3.930 ( 0.995 2.245 0.097) 2.458 4.150 ( 2.213 -0.093 -0.099) 2.217 4.342 ( -7.681 4.206 -0.626) 8.779 4.713 ( 5.457 0.716 -0.131) 5.506 4.927 ( -0.173 -6.559 -0.545) 6.584======================= Grid point 467 (170/288) =======================q-point: (-0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.831 ( -0.766 4.374 -1.133) 4.583 2.110 ( 0.736 8.632 -2.613) 9.049 2.240 ( -4.731 -1.079 4.670) 6.735 2.506 ( 0.570 -1.538 -0.544) 1.728 2.581 ( -6.471 4.691 -7.722) 11.113 3.279 ( 1.761 0.669 6.484) 6.752 3.861 ( -1.913 -1.621 -0.299) 2.526 3.959 ( 0.158 1.326 0.052) 1.336 4.212 ( 3.827 -0.218 1.422) 4.088 4.274 ( -5.786 6.765 -0.970) 8.954 4.785 ( 1.934 -4.184 0.272) 4.617 4.886 ( 3.588 -2.408 -0.804) 4.395======================= Grid point 468 (171/288) =======================q-point: (-0.21 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.819 ( -2.463 -0.489 -0.916) 2.673 2.109 ( -7.051 -2.226 3.079) 8.010 2.197 ( -1.886 5.935 1.948) 6.525 2.442 ( -2.394 -3.107 -2.800) 4.819 2.556 ( -2.497 7.632 -6.514) 10.339 3.289 ( -4.463 0.397 4.685) 6.483 3.810 ( -1.304 -2.338 -0.114) 2.680 3.964 ( -1.010 1.201 0.197) 1.582 4.211 ( -1.269 -0.411 -0.010) 1.333 4.330 ( 0.991 8.080 -0.255) 8.145 4.729 ( -1.576 -3.392 -0.074) 3.741 4.980 ( 9.008 -3.390 0.135) 9.626======================= Grid point 469 (172/288) =======================q-point: (-0.14 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.721 ( -6.221 -6.287 3.343) 9.455 1.938 ( -9.878 -1.644 0.181) 10.015 2.203 ( -5.616 5.047 1.725) 7.745 2.373 ( -0.900 -3.082 -0.827) 3.316 2.606 ( 2.095 7.400 -6.651) 10.168 3.131 ( -14.131 -1.991 2.326) 14.459 3.776 ( -0.530 -1.681 0.848) 1.955 3.950 ( -1.926 0.972 0.512) 2.217 4.208 ( 1.558 -0.239 -0.722) 1.734 4.417 ( -0.068 8.071 -1.106) 8.146 4.689 ( -0.112 -1.473 -0.154) 1.485 5.116 ( 11.034 -4.480 0.316) 11.913======================= Grid point 476 (173/288) =======================q-point: ( 0.36 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.386 ( -0.000 17.958 0.401) 17.962 1.392 ( -0.000 13.156 2.001) 13.307 1.835 ( 0.000 1.103 -1.421) 1.799 2.025 ( 0.000 15.301 -9.352) 17.932 2.280 ( -0.000 10.710 7.704) 13.193 2.947 ( -0.000 -2.316 3.059) 3.837 3.695 ( 0.000 2.041 -0.878) 2.222 3.914 ( -0.000 -0.007 0.908) 0.908 4.153 ( 0.000 4.851 -0.503) 4.877 4.512 ( 0.000 -4.423 -1.411) 4.643 4.868 ( -0.000 -10.195 2.531) 10.504 5.491 ( 0.000 -3.870 -7.398) 8.349======================= Grid point 477 (174/288) =======================q-point: ( 0.43 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.470 ( -1.707 11.264 -6.205) 12.972 1.593 ( 1.847 15.329 5.696) 16.457 1.869 ( 2.132 6.533 -1.216) 6.978 2.122 ( 3.035 4.850 -13.112) 14.305 2.496 ( 5.109 12.825 8.676) 16.305 2.959 ( 1.538 -0.056 6.728) 6.901 3.733 ( 1.830 2.318 -0.067) 2.954 3.909 ( -0.620 0.920 0.104) 1.114 4.200 ( 0.525 2.018 -1.268) 2.440 4.490 ( 3.806 -6.469 1.530) 7.660 4.767 ( -1.461 -7.915 0.513) 8.065 5.366 ( -6.934 -3.763 -7.031) 10.568======================= Grid point 478 (175/288) =======================q-point: ( 0.50 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.550 ( 1.798 9.221 -4.171) 10.279 1.792 ( -0.090 16.431 8.973) 18.722 2.019 ( 7.787 6.361 -4.738) 11.115 2.190 ( 3.803 4.821 -8.636) 10.596 2.655 ( 2.684 1.203 3.104) 4.276 3.055 ( 3.747 4.598 6.439) 8.755 3.796 ( 2.305 2.375 1.579) 3.667 3.922 ( 0.469 1.935 -0.467) 2.045 4.189 ( -1.495 -1.111 -1.759) 2.562 4.517 ( 5.298 -5.893 1.899) 8.149 4.675 ( -2.107 -3.692 -0.787) 4.323 5.161 ( -9.489 -3.815 -5.274) 11.507======================= Grid point 479 (176/288) =======================q-point: ( 0.57 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.693 ( 3.887 9.660 0.420) 10.421 1.954 ( -1.124 13.554 5.822) 14.794 2.208 ( 7.571 5.836 -3.163) 10.069 2.301 ( 4.447 6.152 -3.951) 8.558 2.681 ( 3.190 -4.640 0.684) 5.672 3.151 ( 0.894 2.372 1.095) 2.761 3.862 ( 1.907 1.800 2.477) 3.608 3.956 ( 0.706 2.445 -0.131) 2.549 4.135 ( -1.761 -1.996 -1.649) 3.132 4.550 ( 2.620 -3.243 1.144) 4.323 4.620 ( -2.097 1.275 -1.984) 3.156 4.964 ( -5.893 -5.218 -2.028) 8.129======================= Grid point 480 (177/288) =======================q-point: ( 0.64 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.847 ( 1.596 9.243 2.771) 9.781 2.071 ( 0.516 9.604 0.942) 9.664 2.330 ( 0.356 3.412 1.856) 3.901 2.416 ( 3.613 3.217 -1.095) 4.960 2.711 ( 3.308 0.324 -4.144) 5.313 3.157 ( 0.826 -1.199 -0.245) 1.477 3.905 ( 0.992 0.066 1.502) 1.801 3.974 ( -1.757 2.335 0.310) 2.938 4.104 ( 1.267 -1.389 -0.633) 1.983 4.514 ( -6.018 3.440 -0.844) 6.982 4.642 ( 3.305 0.165 -0.473) 3.342 4.854 ( -0.218 -6.206 0.011) 6.210======================= Grid point 481 (178/288) =======================q-point: ( 0.71 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.928 ( -2.630 6.682 2.268) 7.531 2.169 ( 1.027 6.755 -0.903) 6.892 2.309 ( -3.591 -1.490 3.246) 5.065 2.464 ( 1.499 -2.156 -0.642) 2.703 2.738 ( -4.608 9.752 -7.005) 12.861 3.213 ( 6.563 -1.268 2.583) 7.166 3.891 ( -2.418 -0.802 -0.037) 2.547 3.969 ( -0.290 0.962 0.878) 1.335 4.138 ( 3.570 -1.606 0.653) 3.969 4.447 ( -6.323 6.494 -1.035) 9.123 4.696 ( 3.619 -2.430 0.235) 4.365 4.814 ( 1.343 -4.178 -0.195) 4.393======================= Grid point 482 (179/288) =======================q-point: (-0.21 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.903 ( -5.644 2.174 1.352) 6.197 2.196 ( -3.997 0.047 0.951) 4.108 2.264 ( -0.364 2.346 2.283) 3.294 2.435 ( -0.947 -3.264 -0.907) 3.518 2.715 ( -7.041 10.462 -5.963) 13.949 3.314 ( 3.368 -0.365 1.752) 3.814 3.831 ( -2.934 -0.915 0.476) 3.110 3.981 ( 0.324 0.562 0.592) 0.878 4.171 ( 2.388 -3.396 0.432) 4.174 4.443 ( -2.698 9.234 -0.932) 9.665 4.706 ( 0.786 -3.061 0.188) 3.165 4.820 ( 4.370 -4.258 -0.190) 6.104======================= Grid point 483 (180/288) =======================q-point: (-0.14 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.800 ( -6.930 -1.819 2.056) 7.454 2.084 ( -7.986 -1.144 0.989) 8.128 2.307 ( 0.248 2.771 3.436) 4.421 2.369 ( -3.149 -2.347 -1.215) 4.111 2.685 ( -4.368 8.026 -4.996) 10.414 3.288 ( -5.389 -2.034 -0.713) 5.804 3.790 ( -1.655 -0.028 2.208) 2.760 3.986 ( -0.888 0.498 0.266) 1.052 4.167 ( 1.452 -2.332 -0.871) 2.882 4.504 ( -0.972 7.651 -0.934) 7.769 4.682 ( -0.596 -1.486 -0.181) 1.611 4.886 ( 9.064 -4.941 -0.103) 10.324======================= Grid point 491 (181/288) =======================q-point: ( 0.43 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.571 ( 0.000 6.568 -7.752) 10.160 1.658 ( 0.000 9.938 -7.961) 12.733 1.937 ( -0.000 7.252 6.804) 9.944 2.120 ( 0.000 6.963 -9.644) 11.895 2.608 ( -0.000 9.585 7.804) 12.360 2.989 ( -0.000 4.598 9.495) 10.550 3.742 ( 0.000 2.947 -0.520) 2.992 3.921 ( -0.000 0.302 0.284) 0.415 4.213 ( 0.000 1.725 -1.843) 2.524 4.383 ( -0.000 -8.642 3.483) 9.318 4.714 ( 0.000 -4.531 -1.579) 4.798 5.362 ( 0.000 -4.905 -6.531) 8.168======================= Grid point 492 (182/288) =======================q-point: ( 0.50 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.585 ( 0.323 5.710 -6.579) 8.717 1.811 ( 10.529 5.198 -9.858) 15.331 2.027 ( -1.139 8.536 6.414) 10.737 2.192 ( 1.494 8.569 -4.160) 9.642 2.666 ( -0.892 -1.013 6.184) 6.330 3.107 ( 1.045 9.829 7.266) 12.267 3.789 ( 1.893 3.001 0.420) 3.573 3.926 ( 0.271 0.673 -0.087) 0.731 4.201 ( -1.233 -1.069 -1.644) 2.317 4.358 ( 4.852 -6.896 2.698) 8.853 4.672 ( -0.910 -1.019 -2.014) 2.434 5.240 ( -5.818 -5.214 -5.232) 9.402======================= Grid point 493 (183/288) =======================q-point: ( 0.57 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.688 ( 5.403 6.939 -1.594) 8.938 2.021 ( 11.674 0.000 -9.602) 15.116 2.133 ( 1.196 12.450 6.634) 14.158 2.301 ( 2.327 7.366 -1.665) 7.902 2.624 ( -1.144 -5.569 5.350) 7.807 3.208 ( -1.508 7.071 1.119) 7.316 3.858 ( 1.976 2.464 2.090) 3.787 3.944 ( 1.429 0.307 -0.410) 1.518 4.158 ( -2.065 -0.321 -1.598) 2.631 4.408 ( 6.951 -5.482 1.216) 8.936 4.655 ( -1.015 1.938 -1.477) 2.640 5.048 ( -8.378 -4.831 -3.043) 10.138======================= Grid point 494 (184/288) =======================q-point: ( 0.64 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.868 ( 6.164 7.174 1.144) 9.528 2.128 ( 3.028 2.791 -1.489) 4.379 2.344 ( 4.828 7.887 1.312) 9.340 2.391 ( 2.119 2.746 -0.714) 3.541 2.598 ( 4.933 -3.194 2.897) 6.552 3.200 ( -4.491 3.303 -2.874) 6.272 3.898 ( 0.415 0.159 1.984) 2.034 3.983 ( 2.423 0.342 -0.277) 2.463 4.116 ( -2.884 1.264 -1.275) 3.397 4.488 ( 6.993 -3.474 0.548) 7.828 4.656 ( -1.815 2.909 -1.096) 3.599 4.864 ( -6.408 -3.756 -0.676) 7.458======================= Grid point 495 (185/288) =======================q-point: ( 0.71 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.012 ( 1.934 5.184 1.557) 5.748 2.198 ( 1.683 3.844 -0.181) 4.200 2.355 ( -2.988 -3.016 1.385) 4.466 2.425 ( 0.455 -0.468 -0.123) 0.664 2.799 ( 10.035 8.558 -0.925) 13.221 3.139 ( -2.512 0.372 -1.797) 3.111 3.902 ( 0.220 -0.659 0.593) 0.913 4.000 ( -1.365 -0.318 0.235) 1.421 4.089 ( -0.048 0.201 -0.241) 0.317 4.565 ( 2.275 0.792 -0.024) 2.409 4.630 ( -1.455 0.212 -0.633) 1.600 4.773 ( -1.199 -2.211 0.313) 2.535======================= Grid point 496 (186/288) =======================q-point: (-0.21 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.024 ( -4.490 0.932 1.576) 4.849 2.251 ( -0.563 1.803 0.138) 1.894 2.282 ( -1.251 -1.270 0.684) 1.909 2.410 ( 0.115 -1.912 0.020) 1.916 2.939 ( -6.708 11.459 -3.124) 13.640 3.180 ( 9.341 -3.230 0.313) 9.888 3.887 ( -2.797 0.792 -0.255) 2.918 3.965 ( 0.453 -2.329 1.539) 2.828 4.105 ( 1.783 -1.158 -0.280) 2.145 4.569 ( -2.980 5.630 -0.896) 6.433 4.650 ( 2.605 -1.755 0.354) 3.161 4.744 ( 0.555 -3.151 0.166) 3.203======================= Grid point 497 (187/288) =======================q-point: (-0.14 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.919 ( -7.022 -1.499 2.063) 7.470 2.193 ( -5.142 -0.273 0.454) 5.169 2.292 ( 1.192 -1.822 1.126) 2.451 2.407 ( -0.545 1.526 0.677) 1.756 2.866 ( -8.877 5.642 -1.641) 10.645 3.268 ( 3.260 -3.494 -3.435) 5.885 3.843 ( -2.787 1.180 2.008) 3.632 3.979 ( 1.665 -1.298 0.634) 2.204 4.119 ( 1.453 -0.709 -1.047) 1.926 4.579 ( -1.766 1.899 -0.559) 2.653 4.660 ( 1.451 -1.300 -0.490) 2.009 4.751 ( 3.001 -0.122 0.510) 3.046======================= Grid point 506 (188/288) =======================q-point: ( 0.50 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.620 ( 0.000 3.667 -5.892) 6.940 1.688 ( 0.000 1.475 -11.433) 11.528 2.136 ( -0.000 7.664 4.899) 9.096 2.265 ( 0.000 9.227 -1.174) 9.301 2.665 ( -0.000 -5.475 7.107) 8.971 3.236 ( -0.000 11.751 5.508) 12.977 3.801 ( -0.000 2.999 -0.060) 3.000 3.929 ( 0.000 0.485 -0.228) 0.536 4.174 ( -0.000 -5.464 0.759) 5.516 4.278 ( 0.000 -1.636 0.088) 1.638 4.677 ( 0.000 1.740 -1.947) 2.611 5.216 ( 0.000 -6.423 -4.445) 7.811======================= Grid point 507 (189/288) =======================q-point: ( 0.57 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.658 ( 3.510 4.689 -2.011) 6.193 1.778 ( 10.517 0.046 -8.688) 13.642 2.227 ( 1.209 6.762 3.345) 7.641 2.350 ( 0.318 7.023 0.037) 7.030 2.608 ( -1.370 -6.836 6.259) 9.369 3.331 ( -2.437 8.438 0.978) 8.838 3.851 ( 2.216 2.649 0.654) 3.515 3.931 ( -0.122 -0.264 -0.128) 0.319 4.148 ( 2.208 -3.019 0.334) 3.755 4.282 ( 1.868 -1.536 -0.514) 2.472 4.696 ( -0.756 4.226 -1.121) 4.437 5.097 ( -4.496 -6.544 -2.909) 8.456======================= Grid point 508 (190/288) =======================q-point: ( 0.64 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.806 ( 7.245 4.412 0.123) 8.483 1.972 ( 12.877 0.941 -4.309) 13.612 2.338 ( 3.758 4.410 0.269) 5.800 2.410 ( 0.437 3.929 2.250) 4.549 2.538 ( -0.769 -5.311 4.803) 7.202 3.325 ( -5.184 5.027 -2.682) 7.703 3.906 ( -0.489 0.031 1.770) 1.836 3.931 ( 2.998 -0.093 -0.884) 3.127 4.172 ( -0.363 2.591 -1.260) 2.904 4.320 ( 6.377 -3.888 0.512) 7.486 4.720 ( -1.844 4.735 -0.391) 5.097 4.935 ( -6.053 -5.101 -1.111) 7.993======================= Grid point 509 (191/288) =======================q-point: ( 0.71 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.961 ( 6.976 1.193 -0.880) 7.132 2.163 ( 6.646 2.951 -0.591) 7.295 2.350 ( -1.214 -3.704 -0.899) 4.000 2.453 ( -2.220 0.920 0.458) 2.447 2.623 ( 13.218 1.621 4.842) 14.170 3.260 ( -6.376 4.409 -2.525) 8.153 3.887 ( 0.078 -1.841 0.415) 1.889 3.982 ( 2.033 0.154 -0.520) 2.104 4.152 ( -4.192 2.292 -0.812) 4.846 4.430 ( 8.891 -2.208 0.761) 9.193 4.704 ( -3.826 1.836 -0.510) 4.274 4.811 ( -4.020 -1.378 0.160) 4.253======================= Grid point 510 (192/288) =======================q-point: (-0.21 -0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.037 ( 2.256 -2.914 -1.234) 3.887 2.253 ( 1.909 0.697 -0.231) 2.045 2.287 ( -1.279 -1.684 -0.354) 2.144 2.412 ( -1.640 -0.642 -0.257) 1.780 2.914 ( 15.290 0.281 2.469) 15.491 3.182 ( -7.799 4.844 -0.024) 9.181 3.886 ( 1.809 -1.470 -0.020) 2.331 3.978 ( -2.493 -0.640 -1.213) 2.846 4.101 ( -1.979 0.697 0.374) 2.131 4.561 ( 6.515 0.201 0.749) 6.561 4.654 ( -2.804 1.140 -0.396) 3.053 4.745 ( -2.876 -0.913 -0.050) 3.018======================= Grid point 511 (193/288) =======================q-point: (-0.14 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.984 ( -2.570 -4.451 -0.000) 5.139 2.252 ( -0.868 -1.503 -0.000) 1.736 2.258 ( -1.051 -1.820 -0.000) 2.102 2.418 ( 1.328 2.300 -0.000) 2.656 3.028 ( -3.381 -5.855 -0.000) 6.761 3.155 ( 2.449 4.242 -0.000) 4.899 3.905 ( -1.335 -2.312 -0.000) 2.670 3.925 ( 1.001 1.735 -0.000) 2.003 4.103 ( 0.597 1.035 -0.000) 1.195 4.590 ( -2.910 -5.040 -0.000) 5.819 4.647 ( 1.453 2.516 -0.000) 2.905 4.735 ( 1.641 2.843 -0.000) 3.283======================= Grid point 522 (194/288) =======================q-point: ( 0.57 0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.665 ( 0.000 3.176 -1.143) 3.376 1.665 ( 0.000 2.013 -3.270) 3.840 2.269 ( -0.000 3.466 0.804) 3.558 2.408 ( -0.000 3.934 0.908) 4.037 2.570 ( -0.000 -5.840 4.784) 7.549 3.428 ( 0.000 5.564 -1.550) 5.775 3.852 ( -0.000 1.873 0.210) 1.884 3.937 ( 0.000 0.472 -0.325) 0.574 4.078 ( -0.000 -4.092 1.725) 4.441 4.274 ( 0.000 1.010 -1.635) 1.922 4.757 ( -0.000 6.745 -0.317) 6.752 5.056 ( 0.000 -7.580 -1.978) 7.834======================= Grid point 523 (195/288) =======================q-point: ( 0.64 0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.725 ( 4.513 1.684 -0.942) 4.908 1.791 ( 9.533 4.816 2.771) 11.034 2.308 ( 2.158 0.615 -1.374) 2.631 2.428 ( 0.329 -1.100 2.833) 3.057 2.531 ( -1.183 -2.059 2.069) 3.150 3.428 ( -2.957 2.283 -4.250) 5.659 3.885 ( 1.720 0.028 -0.575) 1.814 3.924 ( -1.031 0.164 0.930) 1.399 4.110 ( 6.022 -1.063 0.954) 6.189 4.272 ( -0.888 0.796 -1.367) 1.814 4.815 ( -1.983 7.360 0.205) 7.626 4.950 ( -2.839 -6.749 -0.595) 7.345======================= Grid point 524 (196/288) =======================q-point: (-0.29 -0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.830 ( 6.757 -0.564 -0.954) 6.847 2.050 ( 10.795 5.706 3.646) 12.743 2.318 ( 0.661 -3.283 -3.695) 4.987 2.459 ( 5.056 -3.907 5.000) 8.113 2.498 ( -0.875 0.880 0.523) 1.347 3.373 ( -3.561 1.490 -3.570) 5.258 3.868 ( -0.531 -2.369 -1.048) 2.645 3.952 ( 1.909 0.841 0.747) 2.216 4.236 ( -0.748 3.872 -1.004) 4.070 4.256 ( 7.068 -2.590 0.850) 7.576 4.792 ( -4.673 -0.873 -0.488) 4.778 4.869 ( -3.344 2.024 0.917) 4.015======================= Grid point 525 (197/288) =======================q-point: (-0.21 -0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.917 ( 5.552 -3.866 -1.777) 6.995 2.202 ( 2.464 -1.979 -0.243) 3.170 2.288 ( 0.986 0.596 -2.888) 3.109 2.428 ( -1.654 -2.724 0.384) 3.210 2.663 ( 13.530 -0.639 5.361) 14.567 3.322 ( -3.723 1.613 -0.072) 4.058 3.840 ( 0.700 -2.304 -1.421) 2.796 3.985 ( 0.890 0.391 -0.352) 1.034 4.173 ( -4.547 -0.157 0.038) 4.550 4.434 ( 9.284 2.345 0.848) 9.613 4.708 ( -3.027 -1.002 -0.224) 3.196 4.817 ( -5.570 1.796 0.343) 5.862======================= Grid point 537 (198/288) =======================q-point: (-0.36 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.732 ( -0.000 2.874 3.189) 4.293 1.753 ( -0.000 6.037 5.511) 8.174 2.274 ( 0.000 -2.422 -2.926) 3.798 2.407 ( -0.000 -3.242 2.252) 3.948 2.534 ( -0.000 -0.940 0.684) 1.163 3.437 ( 0.000 -1.655 -6.902) 7.098 3.872 ( -0.000 0.021 0.238) 0.238 3.942 ( 0.000 0.153 -0.133) 0.202 4.038 ( -0.000 -1.021 1.624) 1.918 4.290 ( 0.000 1.420 -1.329) 1.945 4.888 ( 0.000 -4.355 -0.616) 4.398 4.934 ( -0.000 6.366 1.442) 6.527======================= Grid point 538 (199/288) =======================q-point: (-0.29 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.763 ( 1.152 1.589 3.344) 3.877 1.950 ( 9.655 7.132 6.925) 13.858 2.236 ( 1.388 -5.922 -4.866) 7.789 2.389 ( 1.024 -2.763 2.801) 4.066 2.512 ( -0.869 -1.698 0.016) 1.908 3.379 ( -0.422 -3.722 -6.556) 7.551 3.859 ( -1.079 -1.554 -0.578) 1.978 3.938 ( 0.503 0.169 0.725) 0.898 4.109 ( 6.942 0.265 0.983) 7.016 4.290 ( -1.234 1.564 -0.844) 2.163 4.809 ( -1.976 -5.541 0.109) 5.884 4.996 ( -3.425 8.505 1.055) 9.229======================= Grid point 539 (200/288) =======================q-point: (-0.21 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.808 ( 2.625 -1.881 1.238) 3.459 2.134 ( 1.453 -4.560 -1.950) 5.168 2.217 ( 6.989 0.058 -2.612) 7.461 2.408 ( 1.086 -3.019 4.351) 5.406 2.513 ( 4.705 0.404 2.965) 5.576 3.326 ( 0.873 -4.730 -3.206) 5.780 3.816 ( -1.020 -2.000 -1.333) 2.611 3.963 ( 1.688 -0.073 0.304) 1.717 4.208 ( 0.895 -1.616 0.550) 1.928 4.327 ( 5.692 4.549 0.326) 7.294 4.728 ( -2.045 -3.122 0.133) 3.735 4.979 ( -7.422 6.405 0.513) 9.817======================= Grid point 552 (201/288) =======================q-point: (-0.29 -0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.814 ( -0.000 2.407 6.256) 6.703 1.935 ( -0.000 6.178 6.698) 9.112 2.138 ( 0.000 -8.419 -5.879) 10.269 2.367 ( -0.000 -1.526 2.957) 3.328 2.497 ( 0.000 -2.217 -0.703) 2.326 3.296 ( 0.000 -8.154 -7.259) 10.917 3.859 ( -0.000 -1.452 0.576) 1.562 3.936 ( 0.000 -0.683 -0.418) 0.801 4.053 ( -0.000 1.912 0.856) 2.095 4.311 ( 0.000 1.102 -0.372) 1.163 4.773 ( 0.000 -4.674 0.436) 4.694 5.123 ( -0.000 9.350 0.636) 9.372======================= Grid point 553 (202/288) =======================q-point: (-0.21 -0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.812 ( -2.889 -0.034 4.232) 5.124 2.021 ( 0.931 -11.785 -6.014) 13.264 2.083 ( 8.008 0.908 0.904) 8.110 2.390 ( 0.933 0.130 6.990) 7.053 2.484 ( 0.941 1.233 -0.008) 1.551 3.197 ( 2.433 -11.344 -4.977) 12.624 3.824 ( -1.941 -1.806 -0.029) 2.651 3.933 ( 1.085 -0.806 -0.314) 1.388 4.143 ( 5.350 3.085 0.736) 6.220 4.320 ( 0.411 1.405 0.249) 1.485 4.726 ( -1.109 -2.618 0.276) 2.856 5.169 ( -5.162 8.367 -0.024) 9.831======================= Grid point 567 (203/288) =======================q-point: (-0.21 -0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.870 ( 0.000 -12.157 -3.217) 12.576 1.906 ( -0.000 0.555 3.032) 3.083 1.931 ( 0.000 -8.430 -4.744) 9.673 2.409 ( -0.000 -0.588 4.886) 4.921 2.516 ( -0.000 7.168 4.124) 8.270 3.017 ( 0.000 -16.726 -3.580) 17.105 3.826 ( -0.000 -2.349 1.184) 2.630 3.911 ( 0.000 -1.202 -1.167) 1.675 4.143 ( -0.000 7.081 0.524) 7.101 4.323 ( -0.000 -0.112 0.700) 0.708 4.718 ( 0.000 -0.991 -0.043) 0.992 5.300 ( 0.000 8.388 -0.995) 8.447======================= Grid point 644 (204/288) =======================q-point: ( 0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.554 ( -0.000 0.000 18.788) 18.788 0.554 ( -0.000 0.000 18.788) 18.788 0.939 ( -0.000 0.000 32.710) 32.710 1.962 ( 0.000 -0.000 -5.973) 5.973 1.962 ( 0.000 -0.000 -5.973) 5.973 3.505 ( 0.000 -0.000 -17.762) 17.762 3.669 ( 0.000 -0.000 -0.764) 0.764 3.669 ( 0.000 -0.000 -0.764) 0.764 3.905 ( -0.000 0.000 1.395) 1.395 3.905 ( -0.000 0.000 1.395) 1.395 5.077 ( -0.000 0.000 7.778) 7.778 5.873 ( 0.000 -0.000 -1.367) 1.367======================= Grid point 645 (205/288) =======================q-point: ( 0.29 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.578 ( 3.096 1.788 15.842) 16.241 0.732 ( 4.082 2.357 20.452) 20.989 1.242 ( 16.126 9.310 18.114) 25.977 1.953 ( 3.149 1.818 -4.929) 6.125 1.994 ( 2.331 1.346 -5.159) 5.818 3.142 ( -7.199 -4.156 -7.147) 10.962 3.677 ( 0.599 0.346 -0.941) 1.168 3.897 ( -0.659 -0.380 1.498) 1.681 3.965 ( 6.314 3.645 1.234) 7.394 4.322 ( 23.914 13.807 -21.854) 35.215 5.100 ( -0.141 -0.081 6.164) 6.166 5.726 ( -11.023 -6.364 -0.325) 12.732======================= Grid point 646 (206/288) =======================q-point: ( 0.36 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.766 ( 9.201 5.312 9.570) 14.299 0.892 ( 5.313 3.068 15.618) 16.780 1.627 ( 13.637 7.873 -4.555) 16.393 2.037 ( 2.602 1.502 -4.023) 5.021 2.123 ( 12.079 6.974 6.886) 15.555 3.051 ( -0.037 -0.021 -6.580) 6.581 3.692 ( 1.098 0.634 -1.333) 1.840 3.887 ( -0.642 -0.370 1.676) 1.832 4.116 ( 5.722 3.304 1.495) 6.775 4.608 ( 7.510 4.336 -11.899) 14.724 5.090 ( -2.834 -1.636 5.234) 6.173 5.427 ( -13.221 -7.633 -4.260) 15.850======================= Grid point 647 (207/288) =======================q-point: ( 0.43 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.031 ( 11.509 6.645 4.613) 14.067 1.074 ( 7.631 4.406 6.717) 11.080 1.863 ( 10.186 5.881 -9.963) 15.415 2.089 ( 2.716 1.568 -2.514) 4.019 2.484 ( 14.706 8.490 9.369) 19.394 3.078 ( 3.325 1.920 -2.576) 4.624 3.722 ( 1.926 1.112 -1.623) 2.754 3.881 ( -0.291 -0.168 1.726) 1.758 4.212 ( 2.259 1.304 -0.579) 2.672 4.664 ( 0.257 0.148 -3.761) 3.773 4.927 ( -14.172 -8.182 7.078) 17.830 5.197 ( -3.086 -1.782 -8.788) 9.483======================= Grid point 648 (208/288) =======================q-point: ( 0.50 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.284 ( 9.468 5.467 0.695) 10.955 1.304 ( 11.156 6.441 0.991) 12.919 2.066 ( 9.532 5.503 -5.279) 12.207 2.146 ( 2.573 1.486 -0.594) 3.030 2.773 ( 7.697 4.444 3.218) 9.452 3.176 ( 4.569 2.638 2.437) 5.812 3.770 ( 2.610 1.507 -1.642) 3.433 3.885 ( 0.228 0.132 1.574) 1.596 4.223 ( -0.625 -0.361 -1.837) 1.974 4.584 ( -14.613 -8.437 2.595) 17.073 4.635 ( -1.201 -0.693 -2.374) 2.749 5.155 ( -0.571 -0.329 -3.070) 3.140======================= Grid point 649 (209/288) =======================q-point: ( 0.57 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.505 ( 9.829 5.675 -2.788) 11.687 1.537 ( 9.073 5.238 -1.869) 10.642 2.199 ( 1.803 1.041 1.605) 2.628 2.263 ( 8.288 4.785 -1.685) 9.718 2.842 ( -1.831 -1.057 -1.142) 2.403 3.262 ( 1.378 0.795 4.919) 5.170 3.826 ( 2.431 1.403 -1.367) 3.122 3.900 ( 0.736 0.425 1.219) 1.486 4.183 ( -2.440 -1.409 -0.995) 2.988 4.324 ( -7.430 -4.290 0.154) 8.581 4.643 ( 2.799 1.616 -1.071) 3.405 5.119 ( -2.326 -1.343 -0.858) 2.820======================= Grid point 650 (210/288) =======================q-point: ( 0.64 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.706 ( 6.420 3.707 -4.038) 8.442 1.709 ( 8.875 5.124 -5.677) 11.715 2.228 ( -0.222 -0.128 3.646) 3.655 2.418 ( 4.828 2.787 -0.479) 5.595 2.714 ( -7.119 -4.110 -4.383) 9.316 3.279 ( -1.109 -0.640 8.513) 8.609 3.866 ( 1.252 0.723 -0.758) 1.632 3.923 ( 0.917 0.529 0.595) 1.215 4.116 ( -2.542 -1.467 -0.952) 3.085 4.242 ( -0.771 -0.445 0.693) 1.128 4.756 ( 6.703 3.870 -0.373) 7.749 5.037 ( -4.530 -2.615 -0.771) 5.287======================= Grid point 651 (211/288) =======================q-point: (-0.29 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.813 ( 4.186 2.417 -5.440) 7.277 1.873 ( 6.934 4.003 -6.854) 10.539 2.199 ( -3.709 -2.142 5.129) 6.682 2.453 ( -1.399 -0.808 -2.320) 2.827 2.566 ( -3.680 -2.124 -3.362) 5.418 3.275 ( -1.807 -1.043 10.243) 10.454 3.879 ( 0.037 0.021 -0.429) 0.431 3.938 ( 0.150 0.087 0.294) 0.342 4.071 ( -1.003 -0.579 -1.840) 2.174 4.259 ( 1.482 0.856 1.952) 2.596 4.880 ( -1.892 -1.092 0.258) 2.200 4.960 ( 4.065 2.347 -1.217) 4.849======================= Grid point 652 (212/288) =======================q-point: (-0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.872 ( 2.674 1.544 -6.348) 7.059 1.976 ( 2.509 1.449 -2.106) 3.582 2.082 ( -7.955 -4.593 6.198) 11.082 2.417 ( 0.808 0.467 -7.772) 7.828 2.490 ( -2.878 -1.662 0.702) 3.396 3.229 ( -5.629 -3.250 7.372) 9.828 3.865 ( -1.071 -0.618 -0.696) 1.419 3.931 ( -0.800 -0.462 0.617) 1.111 4.064 ( 1.219 0.704 -1.532) 2.080 4.304 ( 1.574 0.909 1.257) 2.209 4.776 ( -4.108 -2.372 -0.278) 4.752 5.124 ( 7.721 4.458 0.350) 8.922======================= Grid point 659 (213/288) =======================q-point: ( 0.29 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.691 ( -0.000 10.170 14.381) 17.613 0.844 ( -0.000 11.361 14.039) 18.061 1.268 ( -0.000 12.838 23.275) 26.580 1.879 ( 0.000 -1.865 -6.904) 7.152 2.015 ( 0.000 5.994 -5.164) 7.912 3.122 ( 0.000 -9.146 -7.806) 12.025 3.660 ( 0.000 0.040 -0.726) 0.727 3.908 ( -0.000 5.834 -0.395) 5.847 3.917 ( -0.000 -0.052 1.284) 1.285 4.276 ( 0.000 24.650 -16.805) 29.833 5.119 ( -0.000 -0.821 6.214) 6.268 5.752 ( 0.000 -8.897 -1.586) 9.038======================= Grid point 660 (214/288) =======================q-point: ( 0.36 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.844 ( -0.187 14.865 8.586) 17.167 0.990 ( -1.073 10.679 17.082) 20.174 1.527 ( 6.673 11.685 1.798) 13.575 1.937 ( 9.006 1.350 -1.857) 9.294 2.081 ( 2.700 7.181 -0.529) 7.690 3.021 ( -0.524 -2.624 -7.049) 7.539 3.680 ( 1.386 0.661 -0.697) 1.686 3.888 ( -0.917 -0.421 0.668) 1.210 4.055 ( 6.199 4.360 1.725) 7.772 4.490 ( 7.276 9.742 -12.865) 17.702 5.107 ( -1.029 -3.649 5.182) 6.421 5.560 ( -10.246 -7.854 -3.582) 13.398======================= Grid point 661 (215/288) =======================q-point: ( 0.43 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.043 ( 3.485 15.266 3.643) 16.077 1.122 ( -1.197 10.816 14.384) 18.036 1.726 ( 8.785 7.356 -9.955) 15.178 2.061 ( 3.174 3.595 -5.815) 7.537 2.346 ( 13.970 9.028 9.896) 19.354 3.016 ( 3.093 0.107 -3.997) 5.055 3.711 ( 1.130 1.944 -0.813) 2.391 3.878 ( 0.158 -0.760 0.798) 1.113 4.177 ( 3.369 2.020 0.307) 3.940 4.616 ( 4.094 1.347 -5.497) 6.985 5.029 ( -4.259 -8.899 7.202) 12.215 5.276 ( -11.766 -3.011 -8.186) 14.647======================= Grid point 662 (216/288) =======================q-point: ( 0.50 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.257 ( 3.962 10.063 2.908) 11.199 1.289 ( 3.577 14.991 6.110) 16.578 1.937 ( 9.972 6.770 -5.772) 13.364 2.128 ( 2.514 3.815 -4.187) 6.197 2.669 ( 10.735 5.197 4.160) 12.631 3.099 ( 6.066 1.107 0.468) 6.184 3.756 ( 1.496 2.968 -0.922) 3.449 3.882 ( 0.494 -0.130 1.092) 1.205 4.213 ( 0.471 -0.524 -1.445) 1.607 4.633 ( -0.126 -1.187 -2.405) 2.685 4.777 ( -14.417 -8.539 3.255) 17.069 5.135 ( -1.047 -1.867 -4.018) 4.552======================= Grid point 663 (217/288) =======================q-point: ( 0.57 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.439 ( 4.982 9.090 3.029) 10.799 1.520 ( 4.745 13.741 -0.313) 14.540 2.149 ( 7.806 4.919 -1.186) 9.302 2.206 ( 3.302 4.991 -2.228) 6.386 2.817 ( 3.283 -0.739 -0.783) 3.455 3.215 ( 5.080 -0.247 2.441) 5.641 3.813 ( 1.628 3.450 -0.943) 3.930 3.898 ( 0.518 0.569 1.473) 1.662 4.190 ( -0.832 -1.902 -1.443) 2.528 4.472 ( -12.979 -2.954 -0.487) 13.320 4.618 ( 0.746 -0.024 -0.746) 1.055 5.104 ( 0.476 -4.054 -0.312) 4.094======================= Grid point 664 (218/288) =======================q-point: ( 0.64 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.613 ( 4.742 7.014 0.611) 8.489 1.717 ( 3.654 12.585 -3.723) 13.623 2.245 ( 0.912 2.521 1.874) 3.271 2.358 ( 6.198 4.971 -0.841) 7.990 2.766 ( -4.765 -4.445 -4.185) 7.745 3.276 ( 2.629 -1.952 4.953) 5.938 3.865 ( 0.620 2.971 -0.717) 3.119 3.916 ( 0.586 0.371 1.130) 1.326 4.152 ( -1.376 -0.708 -0.579) 1.652 4.293 ( -6.372 0.659 -0.402) 6.418 4.679 ( 5.159 2.206 -0.263) 5.617 5.050 ( -1.508 -5.255 0.023) 5.467======================= Grid point 665 (219/288) =======================q-point: ( 0.71 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.736 ( 3.359 4.074 -2.408) 5.804 1.877 ( 2.520 11.816 -5.808) 13.405 2.259 ( -2.438 0.575 3.992) 4.713 2.463 ( 1.247 2.220 -1.166) 2.801 2.599 ( -5.615 -4.139 -5.032) 8.601 3.310 ( 0.714 -1.200 8.378) 8.493 3.879 ( -0.635 0.222 -0.070) 0.676 3.935 ( 0.674 0.613 -0.143) 0.922 4.130 ( -2.891 3.891 -1.068) 4.963 4.248 ( 0.049 -0.042 1.266) 1.268 4.816 ( 7.270 1.593 0.095) 7.443 4.953 ( -2.934 -4.759 -0.835) 5.653======================= Grid point 666 (220/288) =======================q-point: (-0.21 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.798 ( 2.289 1.025 -4.336) 5.009 2.006 ( 1.440 10.562 -5.262) 11.888 2.189 ( -6.434 -2.318 5.449) 8.744 2.427 ( -3.245 0.821 -5.432) 6.381 2.513 ( -1.583 -2.057 -0.266) 2.609 3.312 ( -2.976 -0.880 8.058) 8.635 3.858 ( -0.584 -2.032 -0.133) 2.118 3.943 ( -0.435 0.639 -0.263) 0.816 4.120 ( -3.321 5.934 -1.312) 6.926 4.279 ( 2.410 0.054 1.515) 2.847 4.810 ( -3.511 -4.431 -0.221) 5.657 5.003 ( 8.793 1.092 -0.542) 8.878======================= Grid point 674 (221/288) =======================q-point: ( 0.36 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.041 ( -0.000 16.539 7.356) 18.101 1.147 ( -0.000 12.277 6.433) 13.860 1.668 ( -0.000 16.895 5.332) 17.717 1.819 ( 0.000 -0.279 -4.183) 4.193 2.128 ( -0.000 7.393 0.318) 7.400 2.980 ( 0.000 -1.951 -4.927) 5.299 3.664 ( 0.000 0.854 -0.659) 1.079 3.920 ( -0.000 -0.246 0.942) 0.974 4.041 ( -0.000 6.492 1.256) 6.612 4.487 ( 0.000 6.694 -8.148) 10.545 5.078 ( -0.000 -7.463 5.047) 9.009 5.561 ( 0.000 -6.845 -6.268) 9.281======================= Grid point 675 (222/288) =======================q-point: ( 0.43 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.186 ( -1.503 15.104 0.552) 15.189 1.323 ( 1.124 13.589 9.967) 16.890 1.705 ( -1.744 9.076 -6.317) 11.195 1.982 ( 7.765 4.598 -8.413) 12.337 2.285 ( 7.289 10.690 9.964) 16.331 2.970 ( 1.188 0.288 -1.562) 1.984 3.696 ( 2.163 1.359 -0.259) 2.567 3.893 ( -1.940 0.590 0.098) 2.031 4.145 ( 3.388 3.372 0.864) 4.858 4.544 ( 3.500 1.223 -3.340) 4.990 4.988 ( -1.278 -11.201 4.969) 12.320 5.406 ( -8.342 -3.735 -8.276) 12.330======================= Grid point 676 (223/288) =======================q-point: ( 0.50 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.320 ( 1.778 12.275 -2.706) 12.695 1.490 ( -2.078 16.308 11.964) 20.332 1.841 ( 7.652 9.214 -5.259) 13.081 2.084 ( 4.529 3.231 -9.591) 11.088 2.566 ( 8.872 7.444 5.727) 12.920 3.024 ( 3.969 1.569 2.248) 4.823 3.754 ( 2.202 2.325 0.400) 3.227 3.883 ( -0.230 1.266 -0.386) 1.343 4.196 ( 0.656 0.042 -0.794) 1.031 4.593 ( 2.610 -1.588 -0.935) 3.195 4.846 ( -3.770 -11.735 4.499) 13.121 5.192 ( -9.153 -1.467 -7.418) 11.872======================= Grid point 677 (224/288) =======================q-point: ( 0.57 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.481 ( 3.788 11.193 -0.260) 11.820 1.660 ( -1.264 16.927 8.164) 18.836 2.065 ( 8.620 7.865 -2.085) 11.854 2.175 ( 4.791 4.357 -6.671) 9.297 2.729 ( 5.080 -0.072 -0.050) 5.081 3.132 ( 4.813 0.984 2.720) 5.615 3.819 ( 1.899 3.132 0.677) 3.725 3.904 ( 0.565 2.043 0.205) 2.130 4.177 ( -0.812 -2.168 -1.316) 2.663 4.598 ( 0.398 -0.775 -1.570) 1.795 4.650 ( -9.099 -5.475 1.254) 10.693 5.055 ( -1.995 -4.332 -1.926) 5.144======================= Grid point 678 (225/288) =======================q-point: ( 0.64 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.655 ( 2.813 10.448 2.314) 11.065 1.821 ( -0.358 14.968 2.268) 15.143 2.244 ( 4.211 4.856 -0.179) 6.430 2.305 ( 5.746 6.166 -2.590) 8.818 2.752 ( 0.267 -3.805 -3.351) 5.077 3.200 ( 3.623 -2.206 1.780) 4.600 3.881 ( 1.532 3.027 0.289) 3.404 3.929 ( -0.666 1.720 0.921) 2.061 4.139 ( 0.151 -2.239 -0.640) 2.334 4.456 ( -9.810 1.580 -1.380) 10.031 4.626 ( 2.916 0.922 -0.012) 3.058 4.992 ( 0.559 -6.910 0.433) 6.946======================= Grid point 679 (226/288) =======================q-point: ( 0.71 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.780 ( -0.263 8.318 2.186) 8.604 1.962 ( 0.616 12.986 -2.425) 13.225 2.313 ( -0.797 2.325 2.745) 3.684 2.441 ( 4.106 3.883 -1.305) 5.800 2.648 ( -5.656 -2.833 -6.503) 9.072 3.259 ( 5.038 -2.334 4.434) 7.105 3.910 ( -2.266 -0.418 0.563) 2.372 3.930 ( 0.910 2.355 -0.170) 2.530 4.153 ( 2.573 0.327 0.642) 2.672 4.335 ( -7.379 4.006 -0.928) 8.448 4.714 ( 5.541 0.844 0.186) 5.608 4.925 ( -0.529 -6.695 -0.004) 6.716======================= Grid point 680 (227/288) =======================q-point: (-0.21 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.826 ( -2.407 5.166 -0.052) 5.699 2.083 ( 0.644 10.624 -3.403) 11.174 2.281 ( -4.184 -1.249 4.414) 6.208 2.499 ( -0.778 -3.194 -1.370) 3.562 2.516 ( -4.881 5.677 -5.868) 9.512 3.333 ( 2.597 -0.841 5.273) 5.938 3.861 ( -2.053 -1.694 0.427) 2.696 3.957 ( 0.019 1.647 -0.371) 1.688 4.225 ( 4.036 0.256 1.345) 4.262 4.265 ( -5.911 6.151 -1.028) 8.592 4.788 ( 1.703 -4.355 0.416) 4.695 4.878 ( 3.680 -2.050 -0.950) 4.319======================= Grid point 689 (228/288) =======================q-point: ( 0.43 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.382 ( 0.000 9.903 -4.191) 10.753 1.388 ( -0.000 14.733 0.047) 14.734 1.846 ( -0.000 3.746 3.584) 5.184 1.914 ( 0.000 10.559 -13.710) 17.305 2.375 ( -0.000 13.431 11.794) 17.875 2.971 ( -0.000 1.496 2.099) 2.578 3.689 ( 0.000 2.037 -0.450) 2.086 3.920 ( -0.000 -0.122 0.397) 0.415 4.153 ( -0.000 3.908 0.453) 3.934 4.507 ( -0.000 -1.729 0.357) 1.766 4.891 ( -0.000 -12.287 2.631) 12.566 5.416 ( 0.000 -3.450 -8.934) 9.577======================= Grid point 690 (229/288) =======================q-point: ( 0.50 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.411 ( -1.176 9.548 -6.591) 11.661 1.613 ( 7.582 11.522 -1.438) 13.867 1.880 ( -1.666 9.362 3.330) 10.075 2.013 ( 3.636 6.058 -9.970) 12.220 2.574 ( 3.102 10.523 8.089) 13.630 3.014 ( 1.340 3.090 5.420) 6.381 3.734 ( 2.342 2.452 0.138) 3.394 3.909 ( -0.985 0.920 -0.244) 1.370 4.191 ( 0.371 1.190 -0.682) 1.421 4.510 ( 3.352 -4.720 2.845) 6.451 4.772 ( -0.952 -10.292 0.723) 10.361 5.297 ( -6.608 -2.736 -8.000) 10.731======================= Grid point 691 (230/288) =======================q-point: ( 0.57 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.514 ( 3.784 9.644 -3.534) 10.947 1.862 ( 4.843 14.275 4.521) 15.737 1.979 ( 4.539 4.859 -2.501) 7.104 2.122 ( 4.088 8.045 -5.907) 10.785 2.684 ( 0.983 1.487 3.117) 3.591 3.105 ( 2.213 4.047 4.610) 6.521 3.809 ( 2.823 2.770 1.198) 4.132 3.917 ( 0.410 2.058 -0.578) 2.177 4.175 ( -1.490 -1.344 -1.205) 2.340 4.536 ( 4.252 -5.193 2.398) 7.127 4.669 ( -1.708 -5.528 -0.534) 5.811 5.113 ( -8.401 -2.790 -5.024) 10.178======================= Grid point 692 (231/288) =======================q-point: ( 0.64 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.694 ( 5.349 10.173 -0.067) 11.494 2.013 ( -2.951 11.227 6.655) 13.381 2.172 ( 10.718 6.469 -4.802) 13.408 2.269 ( 4.653 7.784 -2.539) 9.417 2.688 ( 0.906 -3.631 0.724) 3.811 3.159 ( 0.119 0.630 0.575) 0.861 3.880 ( 1.705 2.140 1.361) 3.055 3.955 ( 1.054 2.454 -0.085) 2.672 4.123 ( -1.574 -2.085 -0.936) 2.775 4.562 ( 2.064 -3.787 1.481) 4.560 4.602 ( -2.341 1.665 -1.921) 3.455 4.949 ( -4.479 -4.943 -1.148) 6.768======================= Grid point 693 (232/288) =======================q-point: ( 0.71 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.867 ( 2.352 9.290 1.491) 9.698 2.085 ( -1.145 8.606 2.165) 8.948 2.346 ( 1.680 4.536 1.571) 5.086 2.402 ( 4.147 4.150 -1.947) 6.182 2.671 ( 0.271 0.305 -4.483) 4.502 3.161 ( 2.596 -2.344 1.114) 3.670 3.913 ( 0.451 -0.000 0.341) 0.566 3.977 ( -1.586 2.416 0.335) 2.909 4.102 ( 1.888 -1.370 0.137) 2.337 4.505 ( -6.404 3.685 -1.093) 7.469 4.641 ( 3.753 0.041 0.306) 3.765 4.856 ( -0.135 -6.215 0.261) 6.222======================= Grid point 694 (233/288) =======================q-point: ( 0.79 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.948 ( -3.002 6.642 2.013) 7.562 2.162 ( 0.338 7.302 -0.439) 7.323 2.335 ( -3.153 -2.202 2.438) 4.554 2.458 ( 1.542 -1.982 -0.635) 2.590 2.676 ( -4.945 10.934 -6.519) 13.657 3.237 ( 7.304 -2.341 2.626) 8.107 3.890 ( -2.244 -0.944 -0.146) 2.439 3.976 ( -0.573 1.449 0.753) 1.731 4.145 ( 3.933 -1.961 0.782) 4.464 4.438 ( -6.324 6.531 -1.021) 9.148 4.700 ( 3.637 -2.437 0.458) 4.402 4.812 ( 1.043 -4.067 -0.226) 4.205======================= Grid point 704 (234/288) =======================q-point: ( 0.50 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.497 ( 0.000 6.451 -8.133) 10.381 1.572 ( 0.000 6.712 -10.685) 12.619 2.000 ( -0.000 7.359 6.720) 9.965 2.050 ( 0.000 11.002 -5.763) 12.420 2.679 ( -0.000 7.655 7.502) 10.718 3.068 ( -0.000 6.024 7.767) 9.829 3.739 ( -0.000 3.010 -0.070) 3.011 3.921 ( 0.000 0.184 -0.191) 0.265 4.199 ( 0.000 1.062 -1.151) 1.566 4.421 ( -0.000 -8.533 4.895) 9.838 4.698 ( 0.000 -5.520 -1.965) 5.859 5.299 ( 0.000 -3.679 -7.312) 8.185======================= Grid point 705 (235/288) =======================q-point: ( 0.57 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.531 ( 1.819 7.035 -5.209) 8.940 1.713 ( 11.451 3.657 -11.176) 16.413 2.086 ( -0.805 8.216 6.182) 10.313 2.163 ( 1.410 10.885 -2.297) 11.214 2.721 ( -1.629 -0.444 5.789) 6.030 3.166 ( -0.249 7.916 5.604) 9.702 3.793 ( 2.427 3.139 0.529) 4.003 3.924 ( 0.213 0.728 -0.408) 0.861 4.187 ( -1.254 -0.818 -1.276) 1.967 4.388 ( 4.479 -8.366 3.745) 10.202 4.653 ( -0.710 -0.991 -2.168) 2.487 5.191 ( -5.371 -3.987 -5.342) 8.561======================= Grid point 706 (236/288) =======================q-point: ( 0.64 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.677 ( 6.514 8.098 -0.897) 10.432 1.934 ( 13.656 1.352 -9.089) 16.460 2.190 ( 0.921 10.168 5.717) 11.701 2.288 ( 2.136 8.415 -0.965) 8.735 2.673 ( -2.088 -4.647 5.204) 7.282 3.214 ( -2.927 4.927 0.214) 5.735 3.873 ( 2.457 2.700 1.231) 3.852 3.941 ( 1.328 0.237 -0.410) 1.410 4.145 ( -2.125 -0.359 -1.157) 2.446 4.422 ( 6.701 -6.347 1.894) 9.422 4.642 ( -0.886 2.347 -1.401) 2.874 5.022 ( -7.592 -3.940 -2.653) 8.955======================= Grid point 707 (237/288) =======================q-point: ( 0.71 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.874 ( 6.574 7.208 0.058) 9.756 2.108 ( 6.206 2.084 -2.700) 7.081 2.354 ( 4.094 6.409 0.239) 7.609 2.387 ( 1.727 4.792 0.610) 5.130 2.631 ( 2.222 -2.014 4.254) 5.205 3.176 ( -4.367 2.201 -2.214) 5.368 3.911 ( 0.053 0.125 0.848) 0.859 3.980 ( 2.732 0.115 -0.320) 2.753 4.106 ( -2.518 1.245 -0.792) 2.919 4.495 ( 6.749 -3.656 0.996) 7.740 4.647 ( -1.947 3.220 -0.888) 3.866 4.859 ( -5.717 -3.396 -0.486) 6.667======================= Grid point 708 (238/288) =======================q-point: ( 0.79 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.019 ( 2.673 4.629 -0.000) 5.345 2.197 ( 2.042 3.536 0.000) 4.083 2.362 ( -2.263 -3.919 -0.000) 4.526 2.424 ( -0.009 -0.015 -0.000) 0.017 2.795 ( 6.331 10.966 -0.000) 12.662 3.130 ( -0.376 -0.651 -0.000) 0.751 3.905 ( -0.323 -0.559 -0.000) 0.645 4.001 ( -0.458 -0.793 -0.000) 0.915 4.088 ( 0.125 0.216 -0.000) 0.249 4.565 ( 0.911 1.577 -0.000) 1.821 4.627 ( -0.234 -0.405 -0.000) 0.467 4.774 ( -1.245 -2.157 -0.000) 2.490======================= Grid point 720 (239/288) =======================q-point: ( 0.57 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.573 ( 0.000 5.331 -4.307) 6.854 1.594 ( 0.000 3.537 -9.003) 9.673 2.174 ( -0.000 6.263 3.413) 7.132 2.256 ( -0.000 10.258 -0.820) 10.291 2.728 ( -0.000 -5.335 6.627) 8.508 3.277 ( -0.000 8.994 3.546) 9.668 3.802 ( -0.000 3.048 0.316) 3.065 3.925 ( 0.000 0.469 -0.542) 0.717 4.176 ( 0.000 -3.484 -0.174) 3.488 4.287 ( -0.000 -4.635 1.702) 4.938 4.659 ( 0.000 2.305 -1.843) 2.951 5.176 ( 0.000 -5.196 -4.217) 6.692======================= Grid point 721 (240/288) =======================q-point: ( 0.64 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.644 ( 4.500 6.019 -1.401) 7.644 1.714 ( 9.991 3.055 -4.942) 11.558 2.249 ( 1.599 5.011 1.553) 5.485 2.350 ( 0.430 7.823 0.021) 7.835 2.666 ( -1.533 -7.430 6.375) 9.909 3.331 ( -3.172 6.081 -1.005) 6.932 3.856 ( 2.536 2.524 0.479) 3.609 3.929 ( -0.014 -0.060 -0.301) 0.307 4.149 ( 1.068 -2.233 0.012) 2.475 4.282 ( 2.712 -2.990 0.381) 4.054 4.687 ( -0.682 4.902 -0.924) 5.035 5.073 ( -4.184 -5.517 -2.355) 7.314======================= Grid point 722 (241/288) =======================q-point: ( 0.71 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.799 ( 7.480 3.722 -1.696) 8.525 1.951 ( 12.359 4.588 -0.277) 13.186 2.332 ( 2.888 1.991 -1.502) 3.816 2.427 ( 1.021 5.471 1.691) 5.817 2.590 ( -0.301 -6.467 6.261) 9.006 3.296 ( -5.257 4.267 -3.673) 7.703 3.914 ( -0.286 -1.943 -0.053) 1.965 3.927 ( 2.796 1.644 0.233) 3.252 4.161 ( -0.757 2.633 -1.108) 2.956 4.326 ( 6.812 -4.139 0.896) 8.021 4.716 ( -1.942 5.091 -0.376) 5.462 4.928 ( -5.700 -4.411 -0.588) 7.231======================= Grid point 736 (242/288) =======================q-point: ( 0.64 0.64 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.651 ( -0.000 5.394 0.182) 5.397 1.663 ( -0.000 4.771 0.658) 4.816 2.269 ( 0.000 2.121 -0.751) 2.250 2.413 ( -0.000 4.957 0.284) 4.965 2.618 ( -0.000 -7.733 5.611) 9.554 3.401 ( 0.000 3.200 -4.415) 5.453 3.855 ( -0.000 1.810 0.422) 1.858 3.933 ( 0.000 0.613 -0.443) 0.756 4.093 ( -0.000 -3.894 1.576) 4.200 4.260 ( 0.000 0.638 -1.345) 1.489 4.754 ( -0.000 7.405 -0.166) 7.407 5.041 ( 0.000 -6.632 -1.218) 6.743======================= Grid point 738 (243/288) =======================q-point: (-0.29 -0.36 -0.79)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.723 ( 3.413 3.241 0.505) 4.734 1.827 ( 9.354 7.042 4.968) 12.719 2.289 ( 1.884 -0.721 -2.786) 3.440 2.449 ( 0.954 0.719 1.870) 2.219 2.558 ( -1.141 -5.023 3.866) 6.441 3.378 ( -2.331 1.144 -6.646) 7.135 3.880 ( 0.964 -0.352 -0.330) 1.078 3.931 ( -0.243 0.597 0.595) 0.877 4.120 ( 5.439 -0.894 1.086) 5.618 4.260 ( -0.530 0.600 -1.386) 1.601 4.816 ( -2.133 7.384 0.010) 7.686 4.948 ( -2.695 -5.782 0.181) 6.382======================= Grid point 753 (244/288) =======================q-point: (-0.29 -0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.767 ( -0.000 4.023 4.491) 6.029 1.810 ( -0.000 7.756 6.882) 10.369 2.241 ( 0.000 -3.465 -4.171) 5.423 2.430 ( -0.000 -3.202 2.707) 4.193 2.544 ( -0.000 -2.311 1.671) 2.852 3.364 ( 0.000 -2.089 -9.126) 9.362 3.875 ( -0.000 0.034 0.352) 0.353 3.941 ( 0.000 0.182 -0.219) 0.285 4.054 ( -0.000 -1.214 1.874) 2.232 4.276 ( 0.000 1.738 -1.769) 2.480 4.884 ( 0.000 -3.292 -0.431) 3.320 4.948 ( -0.000 5.801 1.425) 5.973======================= Grid point 860 (245/288) =======================q-point: ( 0.29 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.715 ( -0.000 0.000 16.605) 16.605 0.715 ( -0.000 0.000 16.605) 16.605 1.224 ( -0.000 0.000 29.910) 29.910 1.903 ( 0.000 -0.000 -6.924) 6.924 1.903 ( 0.000 -0.000 -6.924) 6.924 3.335 ( 0.000 -0.000 -19.344) 19.344 3.662 ( 0.000 -0.000 -0.663) 0.663 3.662 ( 0.000 -0.000 -0.663) 0.663 3.918 ( -0.000 0.000 1.292) 1.292 3.918 ( -0.000 0.000 1.292) 1.292 5.145 ( -0.000 0.000 7.152) 7.152 5.860 ( 0.000 -0.000 -1.533) 1.533======================= Grid point 861 (246/288) =======================q-point: ( 0.36 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.722 ( 1.411 0.815 15.638) 15.722 0.909 ( 5.601 3.234 18.131) 19.250 1.384 ( 6.232 3.598 12.434) 14.367 1.924 ( 6.550 3.781 -0.886) 7.615 1.941 ( 2.829 1.633 -6.523) 7.296 3.064 ( -6.720 -3.880 -9.856) 12.544 3.668 ( 0.458 0.265 -0.907) 1.050 3.911 ( -0.580 -0.335 1.436) 1.584 3.978 ( 7.580 4.377 1.460) 8.874 4.154 ( 21.975 12.687 -15.335) 29.648 5.155 ( -1.000 -0.578 5.739) 5.854 5.720 ( -10.974 -6.336 -0.907) 12.704======================= Grid point 862 (247/288) =======================q-point: ( 0.43 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.863 ( 6.865 3.964 11.612) 14.060 1.050 ( 2.009 1.160 18.615) 18.759 1.558 ( 9.606 5.546 -9.933) 14.889 1.993 ( 3.297 1.904 -5.692) 6.848 2.200 ( 14.493 8.367 9.054) 19.027 2.985 ( 1.197 0.691 -7.787) 7.909 3.680 ( 0.953 0.550 -1.248) 1.664 3.902 ( -0.586 -0.338 1.581) 1.720 4.128 ( 5.072 2.928 0.938) 5.931 4.504 ( 11.307 6.528 -10.702) 16.882 5.135 ( -1.895 -1.094 4.649) 5.138 5.397 ( -15.820 -9.134 -2.334) 18.416======================= Grid point 863 (248/288) =======================q-point: ( 0.50 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.085 ( 9.514 5.493 7.282) 13.180 1.155 ( 4.098 2.366 10.617) 11.624 1.780 ( 11.657 6.730 -7.975) 15.645 2.057 ( 3.621 2.090 -4.365) 6.044 2.556 ( 13.002 7.506 5.947) 16.148 3.047 ( 5.421 3.130 -3.899) 7.375 3.708 ( 1.861 1.075 -1.410) 2.570 3.896 ( -0.305 -0.176 1.567) 1.606 4.204 ( 1.612 0.931 -1.130) 2.178 4.626 ( 1.925 1.112 -4.540) 5.055 4.978 ( -17.225 -9.945 3.168) 20.140 5.143 ( -0.449 -0.259 -2.013) 2.079======================= Grid point 864 (249/288) =======================q-point: ( 0.57 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.312 ( 7.150 4.128 5.385) 9.858 1.325 ( 9.491 5.480 3.542) 11.518 2.027 ( 10.947 6.320 -3.201) 13.039 2.132 ( 3.670 2.119 -2.459) 4.899 2.790 ( 6.063 3.500 0.343) 7.009 3.184 ( 6.116 3.531 -0.464) 7.077 3.757 ( 2.632 1.520 -1.328) 3.317 3.898 ( 0.151 0.087 1.377) 1.388 4.208 ( -0.604 -0.349 -1.543) 1.693 4.574 ( -10.754 -6.209 -4.367) 13.163 4.636 ( -5.013 -2.894 2.197) 6.192 5.147 ( -0.182 -0.105 1.429) 1.445======================= Grid point 865 (250/288) =======================q-point: ( 0.64 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.498 ( 7.807 4.507 1.264) 9.103 1.530 ( 7.688 4.439 0.279) 8.882 2.206 ( 2.950 1.703 -0.086) 3.407 2.253 ( 8.906 5.142 -0.664) 10.306 2.822 ( -3.013 -1.739 -3.339) 4.822 3.293 ( 3.115 1.798 2.004) 4.117 3.815 ( 2.554 1.475 -1.059) 3.133 3.911 ( 0.575 0.332 1.041) 1.235 4.176 ( -2.068 -1.194 -0.513) 2.443 4.320 ( -7.222 -4.169 -1.099) 8.411 4.638 ( 2.825 1.631 0.144) 3.265 5.122 ( -2.615 -1.510 1.325) 3.297======================= Grid point 866 (251/288) =======================q-point: ( 0.71 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.668 ( 7.159 4.133 -3.323) 8.909 1.677 ( 5.386 3.110 -2.429) 6.677 2.255 ( 0.742 0.429 2.260) 2.417 2.415 ( 4.716 2.723 -0.203) 5.450 2.669 ( -7.338 -4.236 -5.453) 10.076 3.350 ( 0.696 0.402 6.871) 6.918 3.860 ( 1.445 0.834 -0.616) 1.778 3.929 ( 0.703 0.406 0.538) 0.973 4.106 ( -2.967 -1.713 -1.256) 3.649 4.250 ( -0.088 -0.051 0.993) 0.998 4.754 ( 6.730 3.885 -0.072) 7.771 5.035 ( -5.008 -2.891 0.220) 5.787======================= Grid point 875 (252/288) =======================q-point: ( 0.36 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.828 ( -0.000 7.231 15.326) 16.946 0.955 ( -0.000 9.219 10.258) 13.792 1.455 ( -0.000 6.956 17.011) 18.379 1.821 ( 0.000 -1.379 -5.742) 5.905 1.973 ( 0.000 7.486 -3.431) 8.235 3.039 ( 0.000 -7.496 -10.189) 12.650 3.655 ( 0.000 0.006 -0.450) 0.450 3.906 ( -0.000 7.880 0.130) 7.881 3.927 ( -0.000 -0.095 0.922) 0.927 4.153 ( 0.000 22.052 -10.524) 24.435 5.172 ( -0.000 -1.557 5.320) 5.543 5.736 ( 0.000 -9.869 -1.866) 10.044======================= Grid point 876 (253/288) =======================q-point: ( 0.43 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.932 ( -1.035 10.644 10.332) 14.870 1.135 ( 3.092 8.547 14.549) 17.155 1.509 ( -1.548 7.083 -4.937) 8.772 1.907 ( 7.497 1.269 -5.140) 9.178 2.110 ( 7.688 9.793 6.483) 14.037 2.953 ( -0.247 -0.761 -7.603) 7.645 3.674 ( 1.198 0.856 -0.548) 1.571 3.894 ( -0.713 -0.730 0.532) 1.151 4.073 ( 6.007 4.169 2.022) 7.586 4.387 ( 7.863 13.265 -9.815) 18.279 5.152 ( -1.053 -3.428 4.484) 5.742 5.530 ( -10.238 -10.363 -3.149) 14.904======================= Grid point 877 (254/288) =======================q-point: ( 0.50 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.084 ( 3.306 10.561 5.376) 12.303 1.259 ( -3.130 9.754 15.098) 18.245 1.639 ( 9.644 8.668 -8.757) 15.647 2.001 ( 4.348 2.548 -7.203) 8.791 2.425 ( 12.590 8.572 6.922) 16.730 2.978 ( 3.836 2.574 -4.129) 6.196 3.704 ( 0.778 2.368 -0.727) 2.597 3.885 ( 0.626 -1.318 0.658) 1.601 4.178 ( 2.471 1.708 -0.178) 3.009 4.570 ( 5.071 3.756 -4.585) 7.801 5.097 ( -2.582 -8.645 7.762) 11.902 5.206 ( -13.089 -4.730 -7.264) 15.699======================= Grid point 878 (255/288) =======================q-point: ( 0.57 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.273 ( 5.625 9.049 2.371) 10.915 1.378 ( -0.583 13.089 11.325) 17.318 1.895 ( 11.181 8.172 -3.292) 14.235 2.083 ( 4.308 3.146 -5.780) 7.865 2.691 ( 8.947 3.865 0.715) 9.772 3.097 ( 6.616 3.128 -0.937) 7.378 3.747 ( 1.189 3.430 -0.860) 3.730 3.892 ( 0.895 -0.462 0.960) 1.391 4.201 ( 0.158 -0.527 -1.240) 1.356 4.607 ( -0.504 -0.468 -3.270) 3.341 4.795 ( -15.483 -8.403 0.537) 17.625 5.124 ( 1.161 -2.662 1.622) 3.326======================= Grid point 879 (256/288) =======================q-point: ( 0.64 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.465 ( 5.280 8.615 2.596) 10.433 1.544 ( 1.133 12.758 5.805) 14.063 2.141 ( 8.747 5.788 -0.494) 10.501 2.181 ( 4.789 4.691 -3.341) 7.491 2.802 ( 2.330 -1.479 -2.733) 3.884 3.224 ( 5.658 0.652 -0.490) 5.717 3.805 ( 1.454 3.796 -0.835) 4.150 3.910 ( 0.594 0.610 1.163) 1.441 4.180 ( -0.561 -1.743 -0.613) 1.931 4.456 ( -12.074 -2.426 -2.956) 12.665 4.620 ( 0.210 -0.349 1.031) 1.108 5.114 ( 0.519 -4.572 2.448) 5.213======================= Grid point 880 (257/288) =======================q-point: ( 0.71 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.627 ( 3.011 7.271 2.245) 8.184 1.695 ( 1.508 11.593 -0.693) 11.711 2.255 ( 2.098 3.202 0.281) 3.839 2.352 ( 6.587 4.710 -0.390) 8.107 2.721 ( -5.456 -4.969 -5.629) 9.282 3.313 ( 4.802 -1.120 3.076) 5.812 3.860 ( 0.734 3.285 -0.515) 3.405 3.924 ( 0.191 0.232 0.671) 0.735 4.149 ( -1.611 -0.528 -0.086) 1.698 4.287 ( -5.444 0.718 -0.722) 5.538 4.680 ( 5.009 2.139 0.439) 5.464 5.056 ( -1.994 -5.689 1.321) 6.171======================= Grid point 890 (258/288) =======================q-point: ( 0.43 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.120 ( -0.000 12.629 10.122) 16.185 1.178 ( -0.000 9.400 0.089) 9.400 1.658 ( 0.000 9.851 -7.218) 12.213 1.800 ( -0.000 1.561 0.191) 1.572 2.168 ( -0.000 11.001 7.875) 13.529 2.933 ( 0.000 0.884 -5.270) 5.343 3.660 ( 0.000 0.811 -0.261) 0.852 3.926 ( -0.000 -0.322 0.426) 0.534 4.058 ( -0.000 6.168 2.608) 6.697 4.424 ( 0.000 10.224 -5.675) 11.693 5.122 ( -0.000 -7.342 4.461) 8.591 5.504 ( 0.000 -9.380 -6.391) 11.350======================= Grid point 891 (259/288) =======================q-point: ( 0.50 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.190 ( -1.888 10.643 -0.076) 10.809 1.393 ( 6.643 10.401 5.317) 13.438 1.655 ( -3.510 11.676 -5.226) 13.265 1.909 ( 5.715 2.587 -6.287) 8.882 2.376 ( 6.641 11.367 9.447) 16.203 2.954 ( 1.352 3.521 -1.872) 4.210 3.695 ( 2.306 1.485 -0.058) 2.743 3.893 ( -2.199 0.418 -0.045) 2.239 4.154 ( 2.759 2.654 1.191) 4.010 4.522 ( 3.514 4.031 -1.433) 5.536 5.035 ( -0.486 -12.055 5.356) 13.200 5.329 ( -8.245 -4.783 -8.723) 12.920======================= Grid point 892 (260/288) =======================q-point: ( 0.57 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.300 ( 3.020 10.223 -1.482) 10.762 1.590 ( -0.193 14.386 9.431) 17.202 1.803 ( 7.698 10.843 -2.860) 13.602 2.001 ( 5.211 2.612 -8.072) 9.956 2.607 ( 6.200 6.383 3.144) 9.438 3.040 ( 3.864 4.222 1.164) 5.840 3.756 ( 2.105 2.842 0.185) 3.541 3.880 ( 0.028 0.920 -0.260) 0.957 4.191 ( 0.212 -0.255 -0.431) 0.544 4.587 ( 1.673 -0.304 -0.505) 1.774 4.885 ( -4.574 -13.449 3.838) 14.715 5.132 ( -6.631 -1.045 -5.424) 8.630======================= Grid point 893 (261/288) =======================q-point: ( 0.64 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.479 ( 5.203 10.719 0.250) 11.918 1.746 ( -3.045 16.132 10.308) 19.385 2.048 ( 9.809 6.917 -2.221) 12.206 2.113 ( 6.395 5.099 -6.202) 10.265 2.725 ( 3.571 -0.054 -1.097) 3.736 3.146 ( 3.864 1.657 0.289) 4.214 3.821 ( 1.463 3.858 -0.062) 4.127 3.907 ( 1.202 1.705 0.421) 2.128 4.168 ( -0.786 -2.159 -0.518) 2.355 4.580 ( -1.940 -0.126 -2.243) 2.968 4.660 ( -8.196 -5.593 0.817) 9.956 5.051 ( 0.111 -5.227 1.069) 5.337======================= Grid point 894 (262/288) =======================q-point: ( 0.71 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.670 ( 3.739 10.388 0.993) 11.085 1.862 ( -3.802 14.071 6.556) 15.982 2.231 ( 5.850 5.245 -2.953) 8.393 2.287 ( 6.688 6.267 -0.941) 9.213 2.717 ( -1.379 -4.130 -4.437) 6.216 3.212 ( 4.613 -1.639 0.785) 4.958 3.881 ( 1.161 3.524 -0.441) 3.736 3.936 ( -0.461 1.363 0.645) 1.577 4.138 ( 0.512 -2.113 0.346) 2.202 4.440 ( -9.439 1.993 -2.014) 9.855 4.631 ( 2.770 0.709 0.933) 3.008 5.002 ( 0.597 -7.539 1.729) 7.758======================= Grid point 906 (263/288) =======================q-point: ( 0.50 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.324 ( 0.000 8.048 -8.036) 11.373 1.382 ( 0.000 9.357 -1.783) 9.525 1.795 ( 0.000 11.726 -11.504) 16.427 1.893 ( -0.000 5.340 6.310) 8.267 2.479 ( -0.000 13.027 10.576) 16.779 2.985 ( -0.000 4.937 1.072) 5.052 3.687 ( -0.000 2.042 0.032) 2.042 3.921 ( 0.000 -0.226 -0.157) 0.275 4.161 ( -0.000 2.839 1.317) 3.130 4.519 ( -0.000 0.720 2.153) 2.271 4.916 ( -0.000 -14.444 2.962) 14.745 5.332 ( 0.000 -3.112 -9.627) 10.117======================= Grid point 907 (264/288) =======================q-point: ( 0.57 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.354 ( 0.336 8.646 -6.030) 10.546 1.570 ( 10.914 7.161 -7.716) 15.163 1.896 ( -0.098 13.568 -1.833) 13.692 1.974 ( 0.755 5.869 2.897) 6.589 2.639 ( 1.096 9.049 6.103) 10.969 3.056 ( 1.084 5.721 3.732) 6.916 3.736 ( 2.612 2.573 0.376) 3.685 3.905 ( -1.173 0.855 -0.512) 1.540 4.188 ( 0.098 0.446 0.062) 0.461 4.540 ( 2.433 -2.985 3.679) 5.326 4.780 ( -0.173 -13.083 1.101) 13.130 5.225 ( -5.922 -1.659 -7.845) 9.968======================= Grid point 908 (265/288) =======================q-point: ( 0.64 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.489 ( 5.376 9.970 -1.932) 11.490 1.836 ( 14.290 6.572 -8.482) 17.870 2.006 ( -2.349 9.889 6.446) 12.036 2.089 ( 3.777 9.880 -1.088) 10.633 2.709 ( -0.561 2.109 2.256) 3.139 3.137 ( 0.775 3.923 2.268) 4.597 3.818 ( 2.968 3.042 0.687) 4.305 3.912 ( 0.513 2.086 -0.558) 2.220 4.168 ( -1.480 -1.595 -0.386) 2.210 4.559 ( 2.657 -3.704 2.479) 5.189 4.665 ( -1.166 -7.869 -0.419) 7.966 5.073 ( -6.694 -2.208 -3.622) 7.925======================= Grid point 909 (266/288) =======================q-point: ( 0.71 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.693 ( 5.972 10.344 -0.000) 11.944 2.054 ( 2.090 3.621 0.000) 4.181 2.139 ( 7.421 12.854 -0.000) 14.843 2.258 ( 4.707 8.153 -0.000) 9.414 2.692 ( -1.369 -2.372 -0.000) 2.739 3.161 ( -0.035 -0.061 -0.000) 0.070 3.886 ( 1.382 2.394 -0.000) 2.764 3.954 ( 1.365 2.364 -0.000) 2.730 4.118 ( -1.294 -2.241 -0.000) 2.587 4.572 ( -1.838 -3.184 0.000) 3.676 4.590 ( 0.744 1.289 -0.000) 1.488 4.944 ( -3.081 -5.337 -0.000) 6.162======================= Grid point 922 (267/288) =======================q-point: ( 0.57 0.57 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.427 ( 0.000 7.464 -7.311) 10.448 1.471 ( 0.000 5.391 -11.058) 12.302 2.015 ( 0.000 13.225 -2.167) 13.401 2.056 ( -0.000 6.599 5.686) 8.711 2.739 ( -0.000 6.407 5.675) 8.559 3.129 ( -0.000 7.243 5.550) 9.124 3.740 ( -0.000 3.047 0.415) 3.075 3.917 ( 0.000 0.120 -0.647) 0.659 4.193 ( 0.000 0.290 -0.153) 0.327 4.470 ( -0.000 -8.822 5.869) 10.596 4.679 ( 0.000 -6.551 -2.217) 6.916 5.233 ( 0.000 -2.315 -6.928) 7.304======================= Grid point 923 (268/288) =======================q-point: ( 0.64 0.57 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.492 ( 3.400 8.338 -3.507) 9.664 1.617 ( 11.305 4.590 -9.714) 15.596 2.133 ( 0.081 7.975 3.134) 8.569 2.153 ( 1.363 10.678 0.945) 10.806 2.768 ( -2.198 0.301 4.521) 5.036 3.206 ( -1.391 6.405 3.265) 7.322 3.798 ( 2.644 3.181 0.678) 4.191 3.919 ( 0.222 0.801 -0.781) 1.140 4.179 ( -1.231 -1.008 -0.418) 1.645 4.423 ( 4.125 -9.929 3.992) 11.469 4.634 ( -0.510 -0.710 -1.950) 2.137 5.146 ( -4.809 -2.761 -4.427) 7.096======================= Grid point 939 (269/288) =======================q-point: (-0.36 -0.36 -0.71)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.528 ( 0.000 6.237 -5.409) 8.256 1.542 ( 0.000 7.115 -2.394) 7.507 2.198 ( -0.000 4.821 1.784) 5.140 2.251 ( -0.000 10.550 -0.201) 10.552 2.782 ( -0.000 -4.633 5.274) 7.020 3.298 ( -0.000 6.178 0.949) 6.250 3.807 ( -0.000 3.032 0.698) 3.111 3.919 ( 0.000 0.531 -0.815) 0.973 4.174 ( 0.000 -2.453 -0.134) 2.456 4.305 ( -0.000 -7.005 2.012) 7.288 4.645 ( 0.000 2.883 -1.245) 3.140 5.142 ( 0.000 -3.963 -3.134) 5.053======================= Grid point 1078 (270/288) =======================q-point: ( 0.36 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.851 ( -0.000 0.000 13.100) 13.100 0.851 ( -0.000 0.000 13.100) 13.100 1.475 ( -0.000 0.000 24.799) 24.799 1.840 ( 0.000 -0.000 -6.621) 6.621 1.840 ( 0.000 -0.000 -6.621) 6.621 3.163 ( 0.000 -0.000 -18.010) 18.010 3.657 ( 0.000 -0.000 -0.472) 0.472 3.657 ( 0.000 -0.000 -0.472) 0.472 3.928 ( -0.000 0.000 0.976) 0.976 3.928 ( -0.000 0.000 0.976) 0.976 5.203 ( -0.000 0.000 5.459) 5.459 5.846 ( 0.000 -0.000 -1.381) 1.381======================= Grid point 1079 (271/288) =======================q-point: ( 0.43 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.856 ( 0.938 0.541 13.674) 13.717 1.050 ( 8.798 5.079 12.036) 15.750 1.461 ( -4.924 -2.843 5.154) 7.675 1.879 ( 3.006 1.735 -6.944) 7.763 1.943 ( 11.025 6.365 4.792) 13.603 2.971 ( -5.275 -3.046 -10.001) 11.710 3.661 ( 0.306 0.177 -0.726) 0.808 3.923 ( -0.473 -0.273 1.123) 1.249 3.991 ( 11.329 6.541 1.230) 13.139 4.042 ( 16.277 9.398 -9.432) 21.029 5.201 ( -1.486 -0.858 4.196) 4.534 5.712 ( -10.795 -6.233 -0.848) 12.494======================= Grid point 1080 (272/288) =======================q-point: ( 0.50 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.971 ( 5.420 3.129 11.846) 13.398 1.222 ( -0.652 -0.377 18.790) 18.805 1.458 ( 9.517 5.494 -11.632) 16.002 1.936 ( 3.756 2.168 -6.724) 8.001 2.271 ( 14.353 8.286 5.834) 17.570 2.918 ( 2.270 1.310 -6.333) 6.854 3.670 ( 0.830 0.479 -0.969) 1.363 3.915 ( -0.516 -0.298 1.229) 1.366 4.130 ( 4.353 2.513 -0.623) 5.065 4.422 ( 13.335 7.699 -6.957) 16.897 5.169 ( -1.815 -1.048 2.478) 3.246 5.387 ( -16.430 -9.486 0.341) 18.975======================= Grid point 1081 (273/288) =======================q-point: ( 0.57 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.160 ( 7.865 4.541 8.926) 12.734 1.257 ( 1.888 1.090 11.245) 11.455 1.725 ( 13.280 7.667 -3.814) 15.802 2.011 ( 4.390 2.534 -5.868) 7.754 2.585 ( 11.413 6.589 0.229) 13.180 3.014 ( 6.701 3.869 -3.088) 8.331 3.697 ( 1.815 1.048 -1.016) 2.329 3.908 ( -0.299 -0.173 1.198) 1.247 4.191 ( 1.384 0.799 -1.622) 2.277 4.584 ( 2.682 1.549 -4.599) 5.545 4.976 ( -16.819 -9.710 -2.781) 19.619 5.169 ( -0.708 -0.409 6.741) 6.790======================= Grid point 1082 (274/288) =======================q-point: ( 0.64 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.367 ( 7.852 4.534 5.717) 10.719 1.378 ( 5.315 3.069 9.104) 10.979 2.009 ( 11.742 6.779 -0.762) 13.580 2.101 ( 4.752 2.743 -4.199) 6.909 2.779 ( 5.305 3.063 -2.853) 6.758 3.168 ( 6.697 3.867 -3.092) 8.328 3.746 ( 2.646 1.527 -0.897) 3.184 3.909 ( 0.103 0.059 1.054) 1.061 4.197 ( -0.309 -0.178 -0.843) 0.916 4.525 ( -8.385 -4.841 -5.999) 11.390 4.658 ( -6.304 -3.640 2.428) 7.674 5.178 ( -0.856 -0.494 5.031) 5.127======================= Grid point 1094 (275/288) =======================q-point: ( 0.43 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.962 ( -0.000 6.910 13.854) 15.482 1.022 ( -0.000 6.599 4.092) 7.764 1.556 ( -0.000 -0.851 4.500) 4.580 1.782 ( 0.000 -0.079 -2.375) 2.376 1.967 ( -0.000 10.752 2.262) 10.987 2.947 ( 0.000 -5.254 -9.250) 10.638 3.652 ( 0.000 0.021 -0.144) 0.145 3.911 ( -0.000 11.332 1.087) 11.384 3.933 ( -0.000 -0.178 0.437) 0.471 4.079 ( 0.000 17.637 -6.041) 18.643 5.212 ( -0.000 -1.953 3.472) 3.984 5.720 ( 0.000 -10.769 -1.559) 10.882======================= Grid point 1095 (276/288) =======================q-point: ( 0.50 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.021 ( -1.098 7.220 8.372) 11.110 1.242 ( 9.708 7.626 8.267) 14.857 1.458 ( -7.124 3.975 -5.011) 9.574 1.856 ( 5.156 1.181 -5.162) 7.390 2.175 ( 8.820 11.318 6.342) 15.688 2.891 ( 0.236 0.805 -5.494) 5.557 3.670 ( 0.955 1.039 -0.303) 1.443 3.897 ( -0.600 -0.921 0.296) 1.139 4.090 ( 4.893 4.128 1.634) 6.607 4.316 ( 8.357 15.456 -5.583) 18.436 5.185 ( -1.071 -2.908 2.723) 4.125 5.506 ( -9.640 -12.665 -1.981) 16.039======================= Grid point 1096 (277/288) =======================q-point: ( 0.57 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.135 ( 3.822 6.373 5.566) 9.284 1.381 ( -3.800 8.645 10.402) 14.049 1.579 ( 11.970 10.146 -3.191) 16.012 1.935 ( 4.710 1.984 -6.829) 8.529 2.464 ( 10.268 8.556 1.277) 13.427 2.948 ( 4.345 4.226 -2.164) 6.436 3.699 ( 0.485 2.639 -0.494) 2.729 3.890 ( 1.019 -1.692 0.421) 2.020 4.174 ( 1.612 1.920 -0.760) 2.619 4.535 ( 4.932 5.357 -2.855) 7.821 5.140 ( -8.334 -2.668 -5.506) 10.339 5.174 ( -6.063 -12.064 7.356) 15.376======================= Grid point 1097 (278/288) =======================q-point: ( 0.64 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.305 ( 6.263 6.563 4.556) 10.151 1.482 ( -1.476 12.835 11.131) 17.054 1.880 ( 11.779 8.679 0.224) 14.633 2.025 ( 5.579 2.630 -6.649) 9.069 2.681 ( 7.735 3.941 -2.992) 9.182 3.082 ( 6.059 4.091 -2.204) 7.636 3.741 ( 1.003 3.612 -0.643) 3.803 3.899 ( 1.187 -0.618 0.746) 1.532 4.192 ( 0.096 -0.222 -0.758) 0.796 4.575 ( -1.866 0.223 -3.802) 4.241 4.791 ( -14.059 -7.507 -1.080) 15.975 5.160 ( 1.837 -4.403 5.989) 7.657======================= Grid point 1110 (279/288) =======================q-point: ( 0.50 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.149 ( 0.000 6.900 -6.227) 9.294 1.221 ( -0.000 8.638 11.791) 14.616 1.555 ( 0.000 6.180 -14.571) 15.828 1.822 ( -0.000 3.424 4.493) 5.649 2.247 ( -0.000 13.322 8.008) 15.543 2.892 ( 0.000 2.927 -3.440) 4.517 3.660 ( -0.000 0.811 0.164) 0.827 3.927 ( 0.000 -0.412 -0.149) 0.438 4.086 ( -0.000 5.610 3.392) 6.556 4.386 ( 0.000 13.160 -2.548) 13.405 5.157 ( -0.000 -6.282 3.212) 7.056 5.448 ( 0.000 -12.626 -5.667) 13.839======================= Grid point 1111 (280/288) =======================q-point: ( 0.57 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.177 ( -0.033 7.076 -3.150) 7.746 1.421 ( 9.395 5.682 0.786) 11.008 1.600 ( -0.202 14.018 -6.392) 15.408 1.890 ( 1.359 3.768 2.222) 4.581 2.445 ( 4.438 11.786 5.194) 13.623 2.941 ( 1.639 5.628 -0.633) 5.895 3.695 ( 2.260 1.613 0.203) 2.784 3.892 ( -2.226 0.219 -0.198) 2.245 4.165 ( 1.805 2.250 1.158) 3.108 4.519 ( 3.116 6.105 0.714) 6.892 5.086 ( 0.610 -12.253 5.844) 13.590 5.250 ( -7.930 -6.347 -8.690) 13.367======================= Grid point 1112 (281/288) =======================q-point: ( 0.64 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.294 ( 4.918 8.518 -0.000) 9.835 1.639 ( 6.248 10.823 -0.000) 12.497 1.790 ( 6.852 11.869 -0.000) 13.705 1.959 ( 2.272 3.936 -0.000) 4.545 2.622 ( 3.898 6.751 -0.000) 7.795 3.045 ( 3.223 5.583 -0.000) 6.446 3.757 ( 1.829 3.168 -0.000) 3.658 3.879 ( 0.370 0.640 -0.000) 0.739 4.189 ( -0.141 -0.244 -0.000) 0.282 4.584 ( 0.384 0.666 -0.000) 0.769 4.905 ( -7.627 -13.210 -0.000) 15.254 5.105 ( -1.485 -2.572 0.000) 2.969======================= Grid point 1126 (282/288) =======================q-point: ( 0.57 0.57 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.244 ( 0.000 7.956 -9.322) 12.255 1.344 ( 0.000 3.530 -7.113) 7.940 1.723 ( 0.000 15.006 -3.884) 15.500 1.953 ( -0.000 5.588 6.718) 8.739 2.557 ( -0.000 12.511 6.221) 13.972 2.994 ( -0.000 7.315 1.369) 7.442 3.690 ( -0.000 2.061 0.535) 2.129 3.917 ( 0.000 -0.303 -0.706) 0.769 4.176 ( -0.000 1.963 1.748) 2.628 4.546 ( -0.000 2.507 3.705) 4.474 4.945 ( -0.000 -16.711 3.428) 17.059 5.245 ( 0.000 -2.488 -9.317) 9.644======================= Grid point 1300 (283/288) =======================q-point: ( 0.43 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.946 ( -0.000 0.000 7.570) 7.570 0.946 ( -0.000 0.000 7.570) 7.570 1.661 ( -0.000 0.000 15.235) 15.235 1.789 ( 0.000 -0.000 -4.325) 4.325 1.789 ( 0.000 -0.000 -4.325) 4.325 3.023 ( 0.000 -0.000 -11.907) 11.907 3.654 ( 0.000 -0.000 -0.243) 0.243 3.654 ( 0.000 -0.000 -0.243) 0.243 3.935 ( -0.000 0.000 0.522) 0.522 3.935 ( -0.000 0.000 0.522) 0.522 5.242 ( -0.000 0.000 2.968) 2.968 5.836 ( 0.000 -0.000 -0.839) 0.839======================= Grid point 1301 (284/288) =======================q-point: ( 0.50 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.964 ( 1.554 0.897 9.744) 9.908 1.111 ( 10.283 5.937 0.851) 11.905 1.500 ( -9.751 -5.630 4.687) 12.197 1.820 ( 2.624 1.515 -5.738) 6.489 1.989 ( 12.249 7.072 3.844) 14.657 2.898 ( -3.788 -2.187 -5.340) 6.903 3.655 ( 0.173 0.100 -0.466) 0.507 3.931 ( -0.358 -0.207 0.654) 0.774 3.966 ( 18.704 10.798 -5.412) 22.265 4.014 ( 7.123 4.112 1.840) 8.428 5.229 ( -1.721 -0.994 1.828) 2.700 5.706 ( -10.491 -6.057 -0.201) 12.116======================= Grid point 1302 (285/288) =======================q-point: ( 0.57 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.072 ( 5.052 2.917 10.207) 11.756 1.323 ( 0.038 0.022 -7.658) 7.658 1.415 ( 9.388 5.420 13.120) 17.019 1.874 ( 3.753 2.167 -6.594) 7.890 2.293 ( 13.036 7.526 -1.482) 15.125 2.881 ( 2.952 1.704 -1.489) 3.720 3.663 ( 0.744 0.430 -0.587) 1.041 3.923 ( -0.438 -0.253 0.723) 0.883 4.115 ( 4.281 2.472 -2.678) 5.622 4.382 ( 13.226 7.636 -1.803) 15.378 5.177 ( -3.486 -2.013 -0.815) 4.107 5.405 ( -14.236 -8.219 3.604) 16.829======================= Grid point 1316 (286/288) =======================q-point: ( 0.50 0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.025 ( 0.000 3.797 -3.450) 5.130 1.069 ( -0.000 9.076 9.148) 12.886 1.548 ( 0.000 -7.732 -4.639) 9.018 1.782 ( -0.000 1.712 2.298) 2.866 1.996 ( -0.000 13.102 2.395) 13.319 2.887 ( 0.000 -3.903 -3.183) 5.036 3.652 ( -0.000 0.086 0.168) 0.189 3.929 ( -0.000 15.782 2.880) 16.043 3.934 ( 0.000 -0.287 -0.110) 0.307 4.038 ( 0.000 13.008 -3.429) 13.452 5.233 ( -0.000 -2.068 0.931) 2.268 5.709 ( 0.000 -11.546 -0.759) 11.571======================= Grid point 1317 (287/288) =======================q-point: ( 0.57 0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.064 ( 2.175 3.767 -0.000) 4.350 1.278 ( 7.109 12.313 -0.000) 14.218 1.435 ( -1.590 -2.754 0.000) 3.180 1.830 ( 1.581 2.739 -0.000) 3.163 2.206 ( 7.201 12.472 -0.000) 14.402 2.865 ( 0.750 1.298 -0.000) 1.499 3.669 ( 0.693 1.201 -0.000) 1.387 3.899 ( -0.567 -0.983 -0.000) 1.135 4.098 ( 2.768 4.794 -0.000) 5.535 4.290 ( 9.254 16.028 -0.000) 18.508 5.198 ( -1.385 -2.399 -0.000) 2.770 5.496 ( -8.248 -14.286 -0.000) 16.496======================= Grid point 1527 (288/288) =======================q-point: (-0.50 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 7.23e-05 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.982 ( -0.000 0.000 0.000) 0.000 0.982 ( -0.000 0.000 0.000) 0.000 1.733 ( -0.000 0.000 0.000) 0.000 1.768 ( -0.000 0.000 0.000) 0.000 1.768 ( -0.000 0.000 0.000) 0.000 2.966 ( -0.000 0.000 0.000) 0.000 3.653 ( -0.000 0.000 0.000) 0.000 3.653 ( -0.000 0.000 0.000) 0.000 3.937 ( -0.000 0.000 0.000) 0.000 3.937 ( -0.000 0.000 0.000) 0.000 5.256 ( -0.000 0.000 0.000) 0.000 5.832 ( -0.000 0.000 0.000) 0.000=================== End of collection of collisions ===================----------- Thermal conductivity (W/m-k) with tetrahedron method -----------# T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/32928 10.0 329.275 329.275 726.859 0.000 -0.000 -0.000 3/32928 20.0 108.291 108.291 103.223 0.000 -0.000 -0.000 3/32928 30.0 52.901 52.901 40.352 0.000 -0.000 -0.000 3/32928 40.0 32.619 32.619 23.324 0.000 -0.000 -0.000 3/32928 50.0 23.139 23.139 16.167 0.000 -0.000 -0.000 3/32928 60.0 17.914 17.914 12.381 0.000 -0.000 -0.000 3/32928 70.0 14.665 14.665 10.071 0.000 -0.000 -0.000 3/32928 80.0 12.460 12.460 8.518 0.000 -0.000 -0.000 3/32928 90.0 10.862 10.862 7.400 0.000 -0.000 -0.000 3/32928 100.0 9.648 9.648 6.555 0.000 -0.000 -0.000 3/32928 110.0 8.692 8.692 5.892 0.000 -0.000 -0.000 3/32928 120.0 7.917 7.917 5.356 0.000 -0.000 -0.000 3/32928 130.0 7.275 7.275 4.914 0.000 -0.000 -0.000 3/32928 140.0 6.733 6.733 4.541 0.000 -0.000 -0.000 3/32928 150.0 6.269 6.269 4.223 0.000 -0.000 -0.000 3/32928 160.0 5.867 5.867 3.948 0.000 -0.000 -0.000 3/32928 170.0 5.515 5.515 3.708 0.000 -0.000 -0.000 3/32928 180.0 5.203 5.203 3.496 0.000 -0.000 -0.000 3/32928 190.0 4.926 4.926 3.307 0.000 -0.000 -0.000 3/32928 200.0 4.678 4.678 3.138 0.000 -0.000 -0.000 3/32928 210.0 4.454 4.454 2.986 0.000 -0.000 -0.000 3/32928 220.0 4.250 4.250 2.848 0.000 -0.000 -0.000 3/32928 230.0 4.065 4.065 2.723 0.000 -0.000 -0.000 3/32928 240.0 3.896 3.896 2.608 0.000 -0.000 -0.000 3/32928 250.0 3.740 3.740 2.502 0.000 -0.000 -0.000 3/32928 260.0 3.596 3.596 2.405 0.000 -0.000 -0.000 3/32928 270.0 3.463 3.463 2.316 0.000 -0.000 -0.000 3/32928 280.0 3.340 3.340 2.233 0.000 -0.000 -0.000 3/32928 290.0 3.225 3.225 2.155 0.000 -0.000 -0.000 3/32928 300.0 3.118 3.118 2.083 0.000 -0.000 -0.000 3/32928 310.0 3.018 3.018 2.016 0.000 -0.000 -0.000 3/32928 320.0 2.924 2.924 1.953 0.000 -0.000 -0.000 3/32928 330.0 2.836 2.836 1.893 0.000 -0.000 -0.000 3/32928 340.0 2.753 2.753 1.838 0.000 -0.000 -0.000 3/32928 350.0 2.675 2.675 1.785 0.000 -0.000 -0.000 3/32928 360.0 2.601 2.601 1.735 0.000 -0.000 -0.000 3/32928 370.0 2.531 2.531 1.688 0.000 -0.000 -0.000 3/32928 380.0 2.465 2.465 1.644 0.000 -0.000 -0.000 3/32928 390.0 2.402 2.402 1.602 0.000 -0.000 -0.000 3/32928 400.0 2.343 2.343 1.562 0.000 -0.000 -0.000 3/32928 410.0 2.286 2.286 1.524 0.000 -0.000 -0.000 3/32928 420.0 2.232 2.232 1.488 0.000 -0.000 -0.000 3/32928 430.0 2.180 2.180 1.453 0.000 -0.000 -0.000 3/32928 440.0 2.131 2.131 1.420 0.000 -0.000 -0.000 3/32928 450.0 2.084 2.084 1.389 0.000 -0.000 -0.000 3/32928 460.0 2.039 2.039 1.358 0.000 -0.000 -0.000 3/32928 470.0 1.996 1.996 1.330 0.000 -0.000 -0.000 3/32928 480.0 1.955 1.955 1.302 0.000 -0.000 -0.000 3/32928 490.0 1.915 1.915 1.275 0.000 -0.000 -0.000 3/32928 500.0 1.877 1.877 1.250 0.000 -0.000 -0.000 3/32928 510.0 1.840 1.840 1.226 0.000 -0.000 -0.000 3/32928 520.0 1.805 1.805 1.202 0.000 -0.000 -0.000 3/32928 530.0 1.771 1.771 1.179 0.000 -0.000 -0.000 3/32928 540.0 1.739 1.739 1.158 0.000 -0.000 -0.000 3/32928 550.0 1.707 1.707 1.137 0.000 -0.000 -0.000 3/32928 560.0 1.677 1.677 1.116 0.000 -0.000 -0.000 3/32928 570.0 1.648 1.648 1.097 0.000 -0.000 -0.000 3/32928 580.0 1.620 1.620 1.078 0.000 -0.000 -0.000 3/32928 590.0 1.592 1.592 1.060 0.000 -0.000 -0.000 3/32928 600.0 1.566 1.566 1.042 0.000 -0.000 -0.000 3/32928 610.0 1.541 1.541 1.025 0.000 -0.000 -0.000 3/32928 620.0 1.516 1.516 1.009 0.000 -0.000 -0.000 3/32928 630.0 1.492 1.492 0.993 0.000 -0.000 -0.000 3/32928 640.0 1.469 1.469 0.977 0.000 -0.000 -0.000 3/32928 650.0 1.446 1.446 0.962 0.000 -0.000 -0.000 3/32928 660.0 1.425 1.425 0.948 0.000 -0.000 -0.000 3/32928 670.0 1.404 1.404 0.934 0.000 -0.000 -0.000 3/32928 680.0 1.383 1.383 0.920 0.000 -0.000 -0.000 3/32928 690.0 1.363 1.363 0.907 0.000 -0.000 -0.000 3/32928 700.0 1.344 1.344 0.894 0.000 -0.000 -0.000 3/32928 710.0 1.325 1.325 0.881 0.000 -0.000 -0.000 3/32928 720.0 1.307 1.307 0.869 0.000 -0.000 -0.000 3/32928 730.0 1.289 1.289 0.857 0.000 -0.000 -0.000 3/32928 740.0 1.272 1.272 0.846 0.000 -0.000 -0.000 3/32928 750.0 1.255 1.255 0.834 0.000 -0.000 -0.000 3/32928 760.0 1.238 1.238 0.823 0.000 -0.000 -0.000 3/32928 770.0 1.222 1.222 0.813 0.000 -0.000 -0.000 3/32928 780.0 1.207 1.207 0.802 0.000 -0.000 -0.000 3/32928 790.0 1.192 1.192 0.792 0.000 -0.000 -0.000 3/32928 800.0 1.177 1.177 0.782 0.000 -0.000 -0.000 3/32928 810.0 1.162 1.162 0.773 0.000 -0.000 -0.000 3/32928 820.0 1.148 1.148 0.763 0.000 -0.000 -0.000 3/32928 830.0 1.134 1.134 0.754 0.000 -0.000 -0.000 3/32928 840.0 1.121 1.121 0.745 0.000 -0.000 -0.000 3/32928 850.0 1.108 1.108 0.737 0.000 -0.000 -0.000 3/32928 860.0 1.095 1.095 0.728 0.000 -0.000 -0.000 3/32928 870.0 1.083 1.083 0.720 0.000 -0.000 -0.000 3/32928 880.0 1.070 1.070 0.711 0.000 -0.000 -0.000 3/32928 890.0 1.058 1.058 0.704 0.000 -0.000 -0.000 3/32928 900.0 1.047 1.047 0.696 0.000 -0.000 -0.000 3/32928 910.0 1.035 1.035 0.688 0.000 -0.000 -0.000 3/32928 920.0 1.024 1.024 0.681 0.000 -0.000 -0.000 3/32928 930.0 1.013 1.013 0.673 0.000 -0.000 -0.000 3/32928 940.0 1.002 1.002 0.666 0.000 -0.000 -0.000 3/32928 950.0 0.992 0.992 0.659 0.000 -0.000 -0.000 3/32928 960.0 0.982 0.982 0.652 0.000 -0.000 -0.000 3/32928 970.0 0.972 0.972 0.646 0.000 -0.000 -0.000 3/32928 980.0 0.962 0.962 0.639 0.000 -0.000 -0.000 3/32928 990.0 0.952 0.952 0.633 0.000 -0.000 -0.000 3/32928 1000.0 0.943 0.943 0.626 0.000 -0.000 -0.000 3/32928Thermal conductivity related properties were written into "kappa-m141414.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:49:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|