# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/4838ee6d-da2d-40e6-bacc-5de8817acad4/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 CsHoS2 / R-3m (166) / materials id 505158](https://mdr.nims.go.jp/datasets/0090bdd4-73f6-441c-b58f-6e67914ebf12) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 09:40:03]-------------------------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 2.007508079747762 1.159035330242717 7.924881103333323 b -2.007508079747758 1.159035330242717 7.924881103333323 c 0.000000000000002 -2.318070660485437 7.924881103333323Atomic positions (fractional): *1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 *2 Ho 0.50000000000000 0.50000000000000 0.50000000000000 164.930 *3 S 0.22756942556240 0.22756942556240 0.22756942556240 32.065 4 S 0.77243057443760 0.77243057443760 0.77243057443760 32.065-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.015016159495520 0.000000000000000 0.000000000000000 b -2.007508079747760 3.477105990728154 0.000000000000000 c 0.000000000000000 0.000000000000000 23.774643309999995Atomic positions (fractional): *1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 1 2 Cs 0.66666666666667 0.33333333333333 0.33333333333333 132.905 > 1 3 Cs 0.33333333333333 0.66666666666667 0.66666666666667 132.905 > 1 *4 Ho 0.33333333333333 0.66666666666667 0.16666666666667 164.930 > 2 5 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 > 2 6 Ho 0.66666666666667 0.33333333333333 0.83333333333333 164.930 > 2 *7 S 0.00000000000000 0.00000000000000 0.22756942556240 32.065 > 3 8 S 0.66666666666667 0.33333333333333 0.10576390777093 32.065 > 4 9 S 0.66666666666667 0.33333333333333 0.56090275889574 32.065 > 3 10 S 0.33333333333333 0.66666666666667 0.43909724110426 32.065 > 4 11 S 0.33333333333333 0.66666666666667 0.89423609222907 32.065 > 3 12 S 0.00000000000000 0.00000000000000 0.77243057443759 32.065 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 12.045048478486560 0.000000000000000 0.000000000000000 b -6.022524239243280 10.431317972184463 0.000000000000000 c 0.000000000000000 0.000000000000000 23.774643309999995Atomic positions (fractional): *1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 1 2 Cs 0.33333333333333 0.00000000000000 0.00000000000000 132.905 > 1 3 Cs 0.66666666666667 0.00000000000000 0.00000000000000 132.905 > 1 4 Cs 0.00000000000000 0.33333333333333 0.00000000000000 132.905 > 1 5 Cs 0.33333333333333 0.33333333333333 0.00000000000000 132.905 > 1 6 Cs 0.66666666666667 0.33333333333333 0.00000000000000 132.905 > 1 7 Cs 0.00000000000000 0.66666666666667 0.00000000000000 132.905 > 1 8 Cs 0.33333333333333 0.66666666666667 0.00000000000000 132.905 > 1 9 Cs 0.66666666666667 0.66666666666667 0.00000000000000 132.905 > 1 10 Cs 0.22222222222222 0.11111111111111 0.33333333333333 132.905 > 1 11 Cs 0.55555555555556 0.11111111111111 0.33333333333333 132.905 > 1 12 Cs 0.88888888888889 0.11111111111111 0.33333333333333 132.905 > 1 13 Cs 0.22222222222222 0.44444444444444 0.33333333333333 132.905 > 1 14 Cs 0.55555555555556 0.44444444444444 0.33333333333333 132.905 > 1 15 Cs 0.88888888888889 0.44444444444444 0.33333333333333 132.905 > 1 16 Cs 0.22222222222222 0.77777777777778 0.33333333333333 132.905 > 1 17 Cs 0.55555555555556 0.77777777777778 0.33333333333333 132.905 > 1 18 Cs 0.88888888888889 0.77777777777778 0.33333333333333 132.905 > 1 19 Cs 0.11111111111111 0.22222222222222 0.66666666666667 132.905 > 1 20 Cs 0.44444444444444 0.22222222222222 0.66666666666667 132.905 > 1 21 Cs 0.77777777777778 0.22222222222222 0.66666666666667 132.905 > 1 22 Cs 0.11111111111111 0.55555555555556 0.66666666666667 132.905 > 1 23 Cs 0.44444444444444 0.55555555555556 0.66666666666667 132.905 > 1 24 Cs 0.77777777777778 0.55555555555556 0.66666666666667 132.905 > 1 25 Cs 0.11111111111111 0.88888888888889 0.66666666666667 132.905 > 1 26 Cs 0.44444444444444 0.88888888888889 0.66666666666667 132.905 > 1 27 Cs 0.77777777777778 0.88888888888889 0.66666666666667 132.905 > 1 *28 Ho 0.11111111111111 0.22222222222222 0.16666666666667 164.930 > 2 29 Ho 0.44444444444444 0.22222222222222 0.16666666666667 164.930 > 2 30 Ho 0.77777777777778 0.22222222222222 0.16666666666667 164.930 > 2 31 Ho 0.11111111111111 0.55555555555556 0.16666666666667 164.930 > 2 32 Ho 0.44444444444444 0.55555555555556 0.16666666666667 164.930 > 2 33 Ho 0.77777777777778 0.55555555555556 0.16666666666667 164.930 > 2 34 Ho 0.11111111111111 0.88888888888889 0.16666666666667 164.930 > 2 35 Ho 0.44444444444444 0.88888888888889 0.16666666666667 164.930 > 2 36 Ho 0.77777777777778 0.88888888888889 0.16666666666667 164.930 > 2 37 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 > 2 38 Ho 0.33333333333333 0.00000000000000 0.50000000000000 164.930 > 2 39 Ho 0.66666666666667 0.00000000000000 0.50000000000000 164.930 > 2 40 Ho 0.00000000000000 0.33333333333333 0.50000000000000 164.930 > 2 41 Ho 0.33333333333333 0.33333333333333 0.50000000000000 164.930 > 2 42 Ho 0.66666666666667 0.33333333333333 0.50000000000000 164.930 > 2 43 Ho 0.00000000000000 0.66666666666667 0.50000000000000 164.930 > 2 44 Ho 0.33333333333333 0.66666666666667 0.50000000000000 164.930 > 2 45 Ho 0.66666666666667 0.66666666666667 0.50000000000000 164.930 > 2 46 Ho 0.22222222222222 0.11111111111111 0.83333333333333 164.930 > 2 47 Ho 0.55555555555556 0.11111111111111 0.83333333333333 164.930 > 2 48 Ho 0.88888888888889 0.11111111111111 0.83333333333333 164.930 > 2 49 Ho 0.22222222222222 0.44444444444444 0.83333333333333 164.930 > 2 50 Ho 0.55555555555556 0.44444444444444 0.83333333333333 164.930 > 2 51 Ho 0.88888888888889 0.44444444444444 0.83333333333333 164.930 > 2 52 Ho 0.22222222222222 0.77777777777778 0.83333333333333 164.930 > 2 53 Ho 0.55555555555556 0.77777777777778 0.83333333333333 164.930 > 2 54 Ho 0.88888888888889 0.77777777777778 0.83333333333333 164.930 > 2 *55 S 0.00000000000000 0.00000000000000 0.22756942556240 32.065 > 3 56 S 0.33333333333333 0.00000000000000 0.22756942556240 32.065 > 3 57 S 0.66666666666667 0.00000000000000 0.22756942556240 32.065 > 3 58 S 0.00000000000000 0.33333333333333 0.22756942556240 32.065 > 3 59 S 0.33333333333333 0.33333333333333 0.22756942556240 32.065 > 3 60 S 0.66666666666667 0.33333333333333 0.22756942556240 32.065 > 3 61 S 0.00000000000000 0.66666666666667 0.22756942556240 32.065 > 3 62 S 0.33333333333333 0.66666666666667 0.22756942556240 32.065 > 3 63 S 0.66666666666667 0.66666666666667 0.22756942556240 32.065 > 3 64 S 0.22222222222222 0.11111111111111 0.10576390777093 32.065 > 4 65 S 0.55555555555556 0.11111111111111 0.10576390777093 32.065 > 4 66 S 0.88888888888889 0.11111111111111 0.10576390777093 32.065 > 4 67 S 0.22222222222222 0.44444444444444 0.10576390777093 32.065 > 4 68 S 0.55555555555556 0.44444444444444 0.10576390777093 32.065 > 4 69 S 0.88888888888889 0.44444444444444 0.10576390777093 32.065 > 4 70 S 0.22222222222222 0.77777777777778 0.10576390777093 32.065 > 4 71 S 0.55555555555556 0.77777777777778 0.10576390777093 32.065 > 4 72 S 0.88888888888889 0.77777777777778 0.10576390777093 32.065 > 4 73 S 0.22222222222222 0.11111111111111 0.56090275889574 32.065 > 3 74 S 0.55555555555556 0.11111111111111 0.56090275889574 32.065 > 3 75 S 0.88888888888889 0.11111111111111 0.56090275889574 32.065 > 3 76 S 0.22222222222222 0.44444444444444 0.56090275889574 32.065 > 3 77 S 0.55555555555556 0.44444444444444 0.56090275889574 32.065 > 3 78 S 0.88888888888889 0.44444444444444 0.56090275889574 32.065 > 3 79 S 0.22222222222222 0.77777777777778 0.56090275889574 32.065 > 3 80 S 0.55555555555556 0.77777777777778 0.56090275889574 32.065 > 3 81 S 0.88888888888889 0.77777777777778 0.56090275889574 32.065 > 3 82 S 0.11111111111111 0.22222222222222 0.43909724110426 32.065 > 4 83 S 0.44444444444444 0.22222222222222 0.43909724110426 32.065 > 4 84 S 0.77777777777778 0.22222222222222 0.43909724110426 32.065 > 4 85 S 0.11111111111111 0.55555555555556 0.43909724110426 32.065 > 4 86 S 0.44444444444444 0.55555555555556 0.43909724110426 32.065 > 4 87 S 0.77777777777778 0.55555555555556 0.43909724110426 32.065 > 4 88 S 0.11111111111111 0.88888888888889 0.43909724110426 32.065 > 4 89 S 0.44444444444444 0.88888888888889 0.43909724110426 32.065 > 4 90 S 0.77777777777778 0.88888888888889 0.43909724110426 32.065 > 4 91 S 0.11111111111111 0.22222222222222 0.89423609222907 32.065 > 3 92 S 0.44444444444444 0.22222222222222 0.89423609222907 32.065 > 3 93 S 0.77777777777778 0.22222222222222 0.89423609222907 32.065 > 3 94 S 0.11111111111111 0.55555555555556 0.89423609222907 32.065 > 3 95 S 0.44444444444444 0.55555555555556 0.89423609222907 32.065 > 3 96 S 0.77777777777778 0.55555555555556 0.89423609222907 32.065 > 3 97 S 0.11111111111111 0.88888888888889 0.89423609222907 32.065 > 3 98 S 0.44444444444444 0.88888888888889 0.89423609222907 32.065 > 3 99 S 0.77777777777778 0.88888888888889 0.89423609222907 32.065 > 3 100 S 0.00000000000000 0.00000000000000 0.77243057443759 32.065 > 4 101 S 0.33333333333333 0.00000000000000 0.77243057443759 32.065 > 4 102 S 0.66666666666667 0.00000000000000 0.77243057443759 32.065 > 4 103 S 0.00000000000000 0.33333333333333 0.77243057443759 32.065 > 4 104 S 0.33333333333333 0.33333333333333 0.77243057443759 32.065 > 4 105 S 0.66666666666667 0.33333333333333 0.77243057443759 32.065 > 4 106 S 0.00000000000000 0.66666666666667 0.77243057443759 32.065 > 4 107 S 0.33333333333333 0.66666666666667 0.77243057443759 32.065 > 4 108 S 0.66666666666667 0.66666666666667 0.77243057443759 32.065 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.6736445 -0.0000000 0.0000000 0.0000000 5.6736445 0.0000000 0.0000000 0.0000000 4.8266054-------------------------- Born effective charges -------------------------- 1 Cs 1.1296739 -0.0000000 0.0000000 0.0000000 1.1296739 0.0000000 0.0000000 0.0000000 2.2510190 2 Ho 4.4131736 -0.0000000 0.0000000 -0.0000000 4.4131736 0.0000000 0.0000000 0.0000000 2.0040843 3 S -2.7714237 0.0000000 0.0000000 -0.0000000 -2.7714237 0.0000000 0.0000000 0.0000000 -2.1275517 4 S -2.7714237 0.0000000 0.0000000 -0.0000000 -2.7714237 0.0000000 0.0000000 0.0000000 -2.1275517----------------------------------------------------------------------------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: 0.176Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.184--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) 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 2026-01-08 09:40:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 09:40:08]-------------------------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 2.007508079747762 1.159035330242717 7.924881103333323 b -2.007508079747758 1.159035330242717 7.924881103333323 c 0.000000000000002 -2.318070660485437 7.924881103333323Atomic positions (fractional): 1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 2 Ho 0.50000000000000 0.50000000000000 0.50000000000000 164.930 3 S 0.22756942556240 0.22756942556240 0.22756942556240 32.065 4 S 0.77243057443760 0.77243057443760 0.77243057443760 32.065-------------------------------- supercell ---------------------------------Lattice vectors: a 12.045048478486560 0.000000000000000 0.000000000000000 b -6.022524239243280 10.431317972184463 0.000000000000000 c 0.000000000000000 0.000000000000000 23.774643309999995Atomic positions (fractional): 1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 1 2 Cs 0.33333333333333 0.00000000000000 0.00000000000000 132.905 > 1 3 Cs 0.66666666666667 0.00000000000000 0.00000000000000 132.905 > 1 4 Cs 0.00000000000000 0.33333333333333 0.00000000000000 132.905 > 1 5 Cs 0.33333333333333 0.33333333333333 0.00000000000000 132.905 > 1 6 Cs 0.66666666666667 0.33333333333333 0.00000000000000 132.905 > 1 7 Cs 0.00000000000000 0.66666666666667 0.00000000000000 132.905 > 1 8 Cs 0.33333333333333 0.66666666666667 0.00000000000000 132.905 > 1 9 Cs 0.66666666666667 0.66666666666667 0.00000000000000 132.905 > 1 10 Cs 0.22222222222222 0.11111111111111 0.33333333333333 132.905 > 1 11 Cs 0.55555555555556 0.11111111111111 0.33333333333333 132.905 > 1 12 Cs 0.88888888888889 0.11111111111111 0.33333333333333 132.905 > 1 13 Cs 0.22222222222222 0.44444444444444 0.33333333333333 132.905 > 1 14 Cs 0.55555555555556 0.44444444444444 0.33333333333333 132.905 > 1 15 Cs 0.88888888888889 0.44444444444444 0.33333333333333 132.905 > 1 16 Cs 0.22222222222222 0.77777777777778 0.33333333333333 132.905 > 1 17 Cs 0.55555555555556 0.77777777777778 0.33333333333333 132.905 > 1 18 Cs 0.88888888888889 0.77777777777778 0.33333333333333 132.905 > 1 19 Cs 0.11111111111111 0.22222222222222 0.66666666666667 132.905 > 1 20 Cs 0.44444444444444 0.22222222222222 0.66666666666667 132.905 > 1 21 Cs 0.77777777777778 0.22222222222222 0.66666666666667 132.905 > 1 22 Cs 0.11111111111111 0.55555555555556 0.66666666666667 132.905 > 1 23 Cs 0.44444444444444 0.55555555555556 0.66666666666667 132.905 > 1 24 Cs 0.77777777777778 0.55555555555556 0.66666666666667 132.905 > 1 25 Cs 0.11111111111111 0.88888888888889 0.66666666666667 132.905 > 1 26 Cs 0.44444444444444 0.88888888888889 0.66666666666667 132.905 > 1 27 Cs 0.77777777777778 0.88888888888889 0.66666666666667 132.905 > 1 28 Ho 0.11111111111111 0.22222222222222 0.16666666666667 164.930 > 28 29 Ho 0.44444444444444 0.22222222222222 0.16666666666667 164.930 > 28 30 Ho 0.77777777777778 0.22222222222222 0.16666666666667 164.930 > 28 31 Ho 0.11111111111111 0.55555555555556 0.16666666666667 164.930 > 28 32 Ho 0.44444444444444 0.55555555555556 0.16666666666667 164.930 > 28 33 Ho 0.77777777777778 0.55555555555556 0.16666666666667 164.930 > 28 34 Ho 0.11111111111111 0.88888888888889 0.16666666666667 164.930 > 28 35 Ho 0.44444444444444 0.88888888888889 0.16666666666667 164.930 > 28 36 Ho 0.77777777777778 0.88888888888889 0.16666666666667 164.930 > 28 37 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 > 28 38 Ho 0.33333333333333 0.00000000000000 0.50000000000000 164.930 > 28 39 Ho 0.66666666666667 0.00000000000000 0.50000000000000 164.930 > 28 40 Ho 0.00000000000000 0.33333333333333 0.50000000000000 164.930 > 28 41 Ho 0.33333333333333 0.33333333333333 0.50000000000000 164.930 > 28 42 Ho 0.66666666666667 0.33333333333333 0.50000000000000 164.930 > 28 43 Ho 0.00000000000000 0.66666666666667 0.50000000000000 164.930 > 28 44 Ho 0.33333333333333 0.66666666666667 0.50000000000000 164.930 > 28 45 Ho 0.66666666666667 0.66666666666667 0.50000000000000 164.930 > 28 46 Ho 0.22222222222222 0.11111111111111 0.83333333333333 164.930 > 28 47 Ho 0.55555555555556 0.11111111111111 0.83333333333333 164.930 > 28 48 Ho 0.88888888888889 0.11111111111111 0.83333333333333 164.930 > 28 49 Ho 0.22222222222222 0.44444444444444 0.83333333333333 164.930 > 28 50 Ho 0.55555555555556 0.44444444444444 0.83333333333333 164.930 > 28 51 Ho 0.88888888888889 0.44444444444444 0.83333333333333 164.930 > 28 52 Ho 0.22222222222222 0.77777777777778 0.83333333333333 164.930 > 28 53 Ho 0.55555555555556 0.77777777777778 0.83333333333333 164.930 > 28 54 Ho 0.88888888888889 0.77777777777778 0.83333333333333 164.930 > 28 55 S 0.00000000000000 0.00000000000000 0.22756942556240 32.065 > 55 56 S 0.33333333333333 0.00000000000000 0.22756942556240 32.065 > 55 57 S 0.66666666666667 0.00000000000000 0.22756942556240 32.065 > 55 58 S 0.00000000000000 0.33333333333333 0.22756942556240 32.065 > 55 59 S 0.33333333333333 0.33333333333333 0.22756942556240 32.065 > 55 60 S 0.66666666666667 0.33333333333333 0.22756942556240 32.065 > 55 61 S 0.00000000000000 0.66666666666667 0.22756942556240 32.065 > 55 62 S 0.33333333333333 0.66666666666667 0.22756942556240 32.065 > 55 63 S 0.66666666666667 0.66666666666667 0.22756942556240 32.065 > 55 64 S 0.22222222222222 0.11111111111111 0.10576390777093 32.065 > 64 65 S 0.55555555555556 0.11111111111111 0.10576390777093 32.065 > 64 66 S 0.88888888888889 0.11111111111111 0.10576390777093 32.065 > 64 67 S 0.22222222222222 0.44444444444444 0.10576390777093 32.065 > 64 68 S 0.55555555555556 0.44444444444444 0.10576390777093 32.065 > 64 69 S 0.88888888888889 0.44444444444444 0.10576390777093 32.065 > 64 70 S 0.22222222222222 0.77777777777778 0.10576390777093 32.065 > 64 71 S 0.55555555555556 0.77777777777778 0.10576390777093 32.065 > 64 72 S 0.88888888888889 0.77777777777778 0.10576390777093 32.065 > 64 73 S 0.22222222222222 0.11111111111111 0.56090275889574 32.065 > 55 74 S 0.55555555555556 0.11111111111111 0.56090275889574 32.065 > 55 75 S 0.88888888888889 0.11111111111111 0.56090275889574 32.065 > 55 76 S 0.22222222222222 0.44444444444444 0.56090275889574 32.065 > 55 77 S 0.55555555555556 0.44444444444444 0.56090275889574 32.065 > 55 78 S 0.88888888888889 0.44444444444444 0.56090275889574 32.065 > 55 79 S 0.22222222222222 0.77777777777778 0.56090275889574 32.065 > 55 80 S 0.55555555555556 0.77777777777778 0.56090275889574 32.065 > 55 81 S 0.88888888888889 0.77777777777778 0.56090275889574 32.065 > 55 82 S 0.11111111111111 0.22222222222222 0.43909724110426 32.065 > 64 83 S 0.44444444444444 0.22222222222222 0.43909724110426 32.065 > 64 84 S 0.77777777777778 0.22222222222222 0.43909724110426 32.065 > 64 85 S 0.11111111111111 0.55555555555556 0.43909724110426 32.065 > 64 86 S 0.44444444444444 0.55555555555556 0.43909724110426 32.065 > 64 87 S 0.77777777777778 0.55555555555556 0.43909724110426 32.065 > 64 88 S 0.11111111111111 0.88888888888889 0.43909724110426 32.065 > 64 89 S 0.44444444444444 0.88888888888889 0.43909724110426 32.065 > 64 90 S 0.77777777777778 0.88888888888889 0.43909724110426 32.065 > 64 91 S 0.11111111111111 0.22222222222222 0.89423609222907 32.065 > 55 92 S 0.44444444444444 0.22222222222222 0.89423609222907 32.065 > 55 93 S 0.77777777777778 0.22222222222222 0.89423609222907 32.065 > 55 94 S 0.11111111111111 0.55555555555556 0.89423609222907 32.065 > 55 95 S 0.44444444444444 0.55555555555556 0.89423609222907 32.065 > 55 96 S 0.77777777777778 0.55555555555556 0.89423609222907 32.065 > 55 97 S 0.11111111111111 0.88888888888889 0.89423609222907 32.065 > 55 98 S 0.44444444444444 0.88888888888889 0.89423609222907 32.065 > 55 99 S 0.77777777777778 0.88888888888889 0.89423609222907 32.065 > 55 100 S 0.00000000000000 0.00000000000000 0.77243057443759 32.065 > 64 101 S 0.33333333333333 0.00000000000000 0.77243057443759 32.065 > 64 102 S 0.66666666666667 0.00000000000000 0.77243057443759 32.065 > 64 103 S 0.00000000000000 0.33333333333333 0.77243057443759 32.065 > 64 104 S 0.33333333333333 0.33333333333333 0.77243057443759 32.065 > 64 105 S 0.66666666666667 0.33333333333333 0.77243057443759 32.065 > 64 106 S 0.00000000000000 0.66666666666667 0.77243057443759 32.065 > 64 107 S 0.33333333333333 0.66666666666667 0.77243057443759 32.065 > 64 108 S 0.66666666666667 0.66666666666667 0.77243057443759 32.065 > 64----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.6736445 -0.0000000 0.0000000 0.0000000 5.6736445 0.0000000 0.0000000 0.0000000 4.8266054-------------------------- Born effective charges -------------------------- 1 Cs 1.1296739 -0.0000000 0.0000000 0.0000000 1.1296739 0.0000000 0.0000000 0.0000000 2.2510190 2 Ho 4.4131736 -0.0000000 0.0000000 -0.0000000 4.4131736 0.0000000 0.0000000 0.0000000 2.0040843 3 S -2.7714237 0.0000000 0.0000000 -0.0000000 -2.7714237 0.0000000 0.0000000 0.0000000 -2.1275517 4 S -2.7714237 0.0000000 0.0000000 -0.0000000 -2.7714237 0.0000000 0.0000000 0.0000000 -2.1275517----------------------------------------------------------------------------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[ 28, 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]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 09:40:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 09:40:13]-------------------------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 2.007508079747762 1.159035330242717 7.924881103333323 b -2.007508079747758 1.159035330242717 7.924881103333323 c 0.000000000000002 -2.318070660485437 7.924881103333323Atomic positions (fractional): 1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 2 Ho 0.50000000000000 0.50000000000000 0.50000000000000 164.930 3 S 0.22756942556240 0.22756942556240 0.22756942556240 32.065 4 S 0.77243057443760 0.77243057443760 0.77243057443760 32.065-------------------------------- supercell ---------------------------------Lattice vectors: a 12.045048478486560 0.000000000000000 0.000000000000000 b -6.022524239243280 10.431317972184463 0.000000000000000 c 0.000000000000000 0.000000000000000 23.774643309999995Atomic positions (fractional): 1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 1 2 Cs 0.33333333333333 0.00000000000000 0.00000000000000 132.905 > 1 3 Cs 0.66666666666667 0.00000000000000 0.00000000000000 132.905 > 1 4 Cs 0.00000000000000 0.33333333333333 0.00000000000000 132.905 > 1 5 Cs 0.33333333333333 0.33333333333333 0.00000000000000 132.905 > 1 6 Cs 0.66666666666667 0.33333333333333 0.00000000000000 132.905 > 1 7 Cs 0.00000000000000 0.66666666666667 0.00000000000000 132.905 > 1 8 Cs 0.33333333333333 0.66666666666667 0.00000000000000 132.905 > 1 9 Cs 0.66666666666667 0.66666666666667 0.00000000000000 132.905 > 1 10 Cs 0.22222222222222 0.11111111111111 0.33333333333333 132.905 > 1 11 Cs 0.55555555555556 0.11111111111111 0.33333333333333 132.905 > 1 12 Cs 0.88888888888889 0.11111111111111 0.33333333333333 132.905 > 1 13 Cs 0.22222222222222 0.44444444444444 0.33333333333333 132.905 > 1 14 Cs 0.55555555555556 0.44444444444444 0.33333333333333 132.905 > 1 15 Cs 0.88888888888889 0.44444444444444 0.33333333333333 132.905 > 1 16 Cs 0.22222222222222 0.77777777777778 0.33333333333333 132.905 > 1 17 Cs 0.55555555555556 0.77777777777778 0.33333333333333 132.905 > 1 18 Cs 0.88888888888889 0.77777777777778 0.33333333333333 132.905 > 1 19 Cs 0.11111111111111 0.22222222222222 0.66666666666667 132.905 > 1 20 Cs 0.44444444444444 0.22222222222222 0.66666666666667 132.905 > 1 21 Cs 0.77777777777778 0.22222222222222 0.66666666666667 132.905 > 1 22 Cs 0.11111111111111 0.55555555555556 0.66666666666667 132.905 > 1 23 Cs 0.44444444444444 0.55555555555556 0.66666666666667 132.905 > 1 24 Cs 0.77777777777778 0.55555555555556 0.66666666666667 132.905 > 1 25 Cs 0.11111111111111 0.88888888888889 0.66666666666667 132.905 > 1 26 Cs 0.44444444444444 0.88888888888889 0.66666666666667 132.905 > 1 27 Cs 0.77777777777778 0.88888888888889 0.66666666666667 132.905 > 1 28 Ho 0.11111111111111 0.22222222222222 0.16666666666667 164.930 > 28 29 Ho 0.44444444444444 0.22222222222222 0.16666666666667 164.930 > 28 30 Ho 0.77777777777778 0.22222222222222 0.16666666666667 164.930 > 28 31 Ho 0.11111111111111 0.55555555555556 0.16666666666667 164.930 > 28 32 Ho 0.44444444444444 0.55555555555556 0.16666666666667 164.930 > 28 33 Ho 0.77777777777778 0.55555555555556 0.16666666666667 164.930 > 28 34 Ho 0.11111111111111 0.88888888888889 0.16666666666667 164.930 > 28 35 Ho 0.44444444444444 0.88888888888889 0.16666666666667 164.930 > 28 36 Ho 0.77777777777778 0.88888888888889 0.16666666666667 164.930 > 28 37 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 > 28 38 Ho 0.33333333333333 0.00000000000000 0.50000000000000 164.930 > 28 39 Ho 0.66666666666667 0.00000000000000 0.50000000000000 164.930 > 28 40 Ho 0.00000000000000 0.33333333333333 0.50000000000000 164.930 > 28 41 Ho 0.33333333333333 0.33333333333333 0.50000000000000 164.930 > 28 42 Ho 0.66666666666667 0.33333333333333 0.50000000000000 164.930 > 28 43 Ho 0.00000000000000 0.66666666666667 0.50000000000000 164.930 > 28 44 Ho 0.33333333333333 0.66666666666667 0.50000000000000 164.930 > 28 45 Ho 0.66666666666667 0.66666666666667 0.50000000000000 164.930 > 28 46 Ho 0.22222222222222 0.11111111111111 0.83333333333333 164.930 > 28 47 Ho 0.55555555555556 0.11111111111111 0.83333333333333 164.930 > 28 48 Ho 0.88888888888889 0.11111111111111 0.83333333333333 164.930 > 28 49 Ho 0.22222222222222 0.44444444444444 0.83333333333333 164.930 > 28 50 Ho 0.55555555555556 0.44444444444444 0.83333333333333 164.930 > 28 51 Ho 0.88888888888889 0.44444444444444 0.83333333333333 164.930 > 28 52 Ho 0.22222222222222 0.77777777777778 0.83333333333333 164.930 > 28 53 Ho 0.55555555555556 0.77777777777778 0.83333333333333 164.930 > 28 54 Ho 0.88888888888889 0.77777777777778 0.83333333333333 164.930 > 28 55 S 0.00000000000000 0.00000000000000 0.22756942556240 32.065 > 55 56 S 0.33333333333333 0.00000000000000 0.22756942556240 32.065 > 55 57 S 0.66666666666667 0.00000000000000 0.22756942556240 32.065 > 55 58 S 0.00000000000000 0.33333333333333 0.22756942556240 32.065 > 55 59 S 0.33333333333333 0.33333333333333 0.22756942556240 32.065 > 55 60 S 0.66666666666667 0.33333333333333 0.22756942556240 32.065 > 55 61 S 0.00000000000000 0.66666666666667 0.22756942556240 32.065 > 55 62 S 0.33333333333333 0.66666666666667 0.22756942556240 32.065 > 55 63 S 0.66666666666667 0.66666666666667 0.22756942556240 32.065 > 55 64 S 0.22222222222222 0.11111111111111 0.10576390777093 32.065 > 64 65 S 0.55555555555556 0.11111111111111 0.10576390777093 32.065 > 64 66 S 0.88888888888889 0.11111111111111 0.10576390777093 32.065 > 64 67 S 0.22222222222222 0.44444444444444 0.10576390777093 32.065 > 64 68 S 0.55555555555556 0.44444444444444 0.10576390777093 32.065 > 64 69 S 0.88888888888889 0.44444444444444 0.10576390777093 32.065 > 64 70 S 0.22222222222222 0.77777777777778 0.10576390777093 32.065 > 64 71 S 0.55555555555556 0.77777777777778 0.10576390777093 32.065 > 64 72 S 0.88888888888889 0.77777777777778 0.10576390777093 32.065 > 64 73 S 0.22222222222222 0.11111111111111 0.56090275889574 32.065 > 55 74 S 0.55555555555556 0.11111111111111 0.56090275889574 32.065 > 55 75 S 0.88888888888889 0.11111111111111 0.56090275889574 32.065 > 55 76 S 0.22222222222222 0.44444444444444 0.56090275889574 32.065 > 55 77 S 0.55555555555556 0.44444444444444 0.56090275889574 32.065 > 55 78 S 0.88888888888889 0.44444444444444 0.56090275889574 32.065 > 55 79 S 0.22222222222222 0.77777777777778 0.56090275889574 32.065 > 55 80 S 0.55555555555556 0.77777777777778 0.56090275889574 32.065 > 55 81 S 0.88888888888889 0.77777777777778 0.56090275889574 32.065 > 55 82 S 0.11111111111111 0.22222222222222 0.43909724110426 32.065 > 64 83 S 0.44444444444444 0.22222222222222 0.43909724110426 32.065 > 64 84 S 0.77777777777778 0.22222222222222 0.43909724110426 32.065 > 64 85 S 0.11111111111111 0.55555555555556 0.43909724110426 32.065 > 64 86 S 0.44444444444444 0.55555555555556 0.43909724110426 32.065 > 64 87 S 0.77777777777778 0.55555555555556 0.43909724110426 32.065 > 64 88 S 0.11111111111111 0.88888888888889 0.43909724110426 32.065 > 64 89 S 0.44444444444444 0.88888888888889 0.43909724110426 32.065 > 64 90 S 0.77777777777778 0.88888888888889 0.43909724110426 32.065 > 64 91 S 0.11111111111111 0.22222222222222 0.89423609222907 32.065 > 55 92 S 0.44444444444444 0.22222222222222 0.89423609222907 32.065 > 55 93 S 0.77777777777778 0.22222222222222 0.89423609222907 32.065 > 55 94 S 0.11111111111111 0.55555555555556 0.89423609222907 32.065 > 55 95 S 0.44444444444444 0.55555555555556 0.89423609222907 32.065 > 55 96 S 0.77777777777778 0.55555555555556 0.89423609222907 32.065 > 55 97 S 0.11111111111111 0.88888888888889 0.89423609222907 32.065 > 55 98 S 0.44444444444444 0.88888888888889 0.89423609222907 32.065 > 55 99 S 0.77777777777778 0.88888888888889 0.89423609222907 32.065 > 55 100 S 0.00000000000000 0.00000000000000 0.77243057443759 32.065 > 64 101 S 0.33333333333333 0.00000000000000 0.77243057443759 32.065 > 64 102 S 0.66666666666667 0.00000000000000 0.77243057443759 32.065 > 64 103 S 0.00000000000000 0.33333333333333 0.77243057443759 32.065 > 64 104 S 0.33333333333333 0.33333333333333 0.77243057443759 32.065 > 64 105 S 0.66666666666667 0.33333333333333 0.77243057443759 32.065 > 64 106 S 0.00000000000000 0.66666666666667 0.77243057443759 32.065 > 64 107 S 0.33333333333333 0.66666666666667 0.77243057443759 32.065 > 64 108 S 0.66666666666667 0.66666666666667 0.77243057443759 32.065 > 64----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 5.6736445 -0.0000000 0.0000000 0.0000000 5.6736445 0.0000000 0.0000000 0.0000000 4.8266054-------------------------- Born effective charges -------------------------- 1 Cs 1.1296739 -0.0000000 0.0000000 0.0000000 1.1296739 0.0000000 0.0000000 0.0000000 2.2510190 2 Ho 4.4131736 -0.0000000 0.0000000 -0.0000000 4.4131736 0.0000000 0.0000000 0.0000000 2.0040843 3 S -2.7714237 0.0000000 0.0000000 -0.0000000 -2.7714237 0.0000000 0.0000000 0.0000000 -2.1275517 4 S -2.7714237 0.0000000 0.0000000 -0.0000000 -2.7714237 0.0000000 0.0000000 0.0000000 -2.1275517----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy)Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 15 15 15 ]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: 0.87, Number of G-points: 295, Lambda: 0.21Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/344) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 344Calculating 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 1.675 ( 0.000 0.000 0.000) 0.000 1.675 ( 0.000 0.000 0.000) 0.000 3.072 ( 0.000 0.000 0.000) 0.000 5.049 ( 0.000 0.000 0.000) 0.000 5.049 ( 0.000 0.000 0.000) 0.000 6.375 ( 0.000 0.000 0.000) 0.000 6.375 ( 0.000 0.000 0.000) 0.000 6.861 ( 0.000 0.000 0.000) 0.000 8.178 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/344) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.362 ( 16.995 9.812 -6.128) 20.559 0.378 ( 17.466 10.084 -4.338) 20.629 0.769 ( 31.739 18.325 13.635) 39.103 1.689 ( 1.261 0.728 0.582) 1.568 1.751 ( 6.565 3.790 -1.685) 7.766 3.060 ( -1.734 -1.001 1.803) 2.694 5.077 ( 2.502 1.444 0.257) 2.900 6.336 ( -3.365 -1.943 -0.105) 3.887 6.357 ( -1.554 -0.897 -0.042) 1.795 6.862 ( 5.071 2.928 -19.499) 20.359 8.042 ( -9.233 -5.331 3.757) 11.304 8.331 ( 2.314 1.336 0.597) 2.738======================= Grid point 2 (3/344) =======================q-point: ( 0.13 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.712 ( 15.982 9.227 -5.804) 19.346 0.744 ( 16.848 9.727 -6.157) 20.405 1.427 ( 22.472 12.974 11.728) 28.475 1.737 ( 2.866 1.655 1.204) 3.521 1.985 ( 16.324 9.425 -2.753) 19.050 3.013 ( -2.566 -1.482 -0.330) 2.982 5.161 ( 4.940 2.852 0.321) 5.714 6.236 ( -5.316 -3.069 -0.609) 6.168 6.311 ( -2.462 -1.421 -0.026) 2.843 6.934 ( 4.504 2.601 -6.884) 8.628 7.826 ( -10.923 -6.306 2.912) 12.945 8.343 ( -0.920 -0.531 -2.666) 2.870======================= Grid point 3 (4/344) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.024 ( 13.202 7.622 -5.274) 16.131 1.084 ( 15.477 8.936 -7.981) 19.573 1.788 ( 9.534 5.504 5.133) 12.146 1.828 ( 5.190 2.997 1.709) 6.232 2.456 ( 23.685 13.674 -1.497) 27.390 2.958 ( -1.835 -1.059 2.001) 2.915 5.294 ( 6.977 4.028 0.113) 8.057 6.111 ( -5.305 -3.063 -1.650) 6.344 6.255 ( -2.377 -1.372 0.096) 2.746 7.009 ( 2.901 1.675 -0.927) 3.475 7.581 ( -11.759 -6.789 1.783) 13.695 8.284 ( -3.190 -1.842 -4.359) 5.707======================= Grid point 4 (5/344) =======================q-point: ( 0.27 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.255 ( 8.813 5.088 -4.247) 11.027 1.382 ( 13.577 7.839 -8.828) 17.992 1.945 ( 4.671 2.697 0.889) 5.467 1.977 ( 7.632 4.406 1.659) 8.968 2.771 ( 1.244 0.718 -2.838) 3.180 3.105 ( 16.923 9.771 6.440) 20.575 5.462 ( 7.920 4.573 -0.304) 9.151 6.009 ( -2.989 -1.726 -2.940) 4.534 6.213 ( -1.383 -0.799 0.344) 1.634 7.043 ( -0.442 -0.255 3.304) 3.344 7.319 ( -11.803 -6.814 -0.882) 13.657 8.198 ( -3.030 -1.749 -4.558) 5.745======================= Grid point 5 (6/344) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.395 ( 4.980 2.875 -2.828) 6.408 1.636 ( 11.538 6.661 -8.207) 15.648 2.020 ( 2.514 1.451 -1.110) 3.108 2.159 ( 7.998 4.618 1.097) 9.300 2.706 ( -5.316 -3.069 2.945) 6.809 3.500 ( 15.325 8.848 2.587) 17.883 5.630 ( 7.052 4.071 -0.736) 8.176 5.976 ( 1.085 0.627 -3.863) 4.062 6.200 ( 0.070 0.040 0.641) 0.646 6.963 ( -10.097 -5.830 7.049) 13.625 7.099 ( -5.030 -2.904 -5.281) 7.850 8.140 ( -1.095 -0.632 -3.130) 3.376======================= Grid point 6 (7/344) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.470 ( 2.523 1.457 -1.539) 3.295 1.842 ( 8.522 4.920 -5.828) 11.437 2.071 ( 3.112 1.796 -2.333) 4.284 2.318 ( 5.772 3.333 0.550) 6.688 2.570 ( -7.834 -4.523 5.290) 10.480 3.773 ( 8.929 5.155 0.743) 10.337 5.757 ( 4.472 2.582 -0.831) 5.230 6.038 ( 5.422 3.130 -3.869) 7.359 6.217 ( 1.107 0.639 0.707) 1.461 6.698 ( -13.255 -7.653 2.785) 15.557 7.026 ( -2.002 -1.156 -1.707) 2.874 8.127 ( 0.313 0.181 -1.388) 1.435======================= Grid point 7 (8/344) =======================q-point: ( 0.47 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.503 ( 0.780 0.451 -0.483) 1.022 1.954 ( 2.338 1.350 -1.527) 3.102 2.170 ( 6.089 3.515 -3.921) 8.050 2.405 ( -7.444 -4.298 4.748) 9.819 2.407 ( 2.071 1.196 0.161) 2.396 3.903 ( 2.854 1.648 0.081) 3.297 5.821 ( 1.438 0.830 -0.363) 1.700 6.188 ( 8.779 5.069 -2.947) 10.557 6.241 ( 0.677 0.391 0.308) 0.841 6.424 ( -11.539 -6.662 2.101) 13.489 6.992 ( -0.743 -0.429 -0.437) 0.963 8.134 ( 0.311 0.180 -0.333) 0.490======================= Grid point 16 (9/344) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.445 ( 0.000 19.116 12.834) 23.025 0.461 ( 0.000 20.707 10.948) 23.423 0.717 ( -0.000 34.761 4.231) 35.017 1.678 ( -0.000 0.961 -2.250) 2.446 1.758 ( -0.000 8.131 -0.047) 8.131 3.067 ( 0.000 -3.389 3.283) 4.718 5.077 ( -0.000 2.876 0.308) 2.892 6.332 ( 0.000 -3.781 -1.092) 3.936 6.356 ( 0.000 -1.829 -0.276) 1.849 6.776 ( -0.000 13.059 -35.933) 38.232 8.058 ( 0.000 -11.165 5.993) 12.672 8.343 ( 0.000 1.916 2.981) 3.544======================= Grid point 17 (10/344) =======================q-point: ( 0.13 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.574 ( 1.648 16.070 10.330) 19.174 0.796 ( 5.856 23.310 -2.544) 24.169 1.254 ( 19.883 21.729 10.979) 31.433 1.707 ( 2.700 1.673 -1.900) 3.701 1.905 ( 6.269 13.719 -1.259) 15.137 3.024 ( -1.490 -2.981 -0.827) 3.434 5.134 ( 2.499 4.269 0.519) 4.974 6.266 ( -2.778 -4.817 -0.736) 5.609 6.324 ( -1.139 -2.190 -0.303) 2.487 6.853 ( 5.123 6.244 -17.238) 19.037 7.904 ( -6.427 -10.844 5.017) 13.567 8.353 ( -1.024 0.480 -0.922) 1.459======================= Grid point 18 (11/344) =======================q-point: ( 0.20 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.830 ( 9.879 10.906 3.268) 15.073 1.093 ( 5.767 20.738 -5.729) 22.275 1.693 ( 11.343 8.136 6.895) 15.569 1.790 ( 4.488 3.937 0.089) 5.971 2.267 ( 17.301 20.436 -1.076) 26.798 2.967 ( -1.253 -2.824 -0.793) 3.189 5.244 ( 4.779 5.606 0.542) 7.387 6.154 ( -4.515 -4.651 -1.198) 6.592 6.280 ( -1.781 -1.423 -0.195) 2.288 6.948 ( 5.100 2.630 -7.472) 9.421 7.685 ( -9.157 -10.059 3.947) 14.164 8.306 ( -3.040 -1.630 -3.255) 4.742======================= Grid point 19 (12/344) =======================q-point: ( 0.27 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.098 ( 10.896 7.021 -0.660) 12.979 1.348 ( 5.368 16.564 -6.755) 18.676 1.882 ( 6.195 3.023 0.454) 6.908 1.933 ( 5.396 6.754 2.378) 8.966 2.710 ( 10.212 10.866 -4.559) 15.593 2.990 ( 8.174 4.760 5.912) 11.155 5.398 ( 6.308 6.709 0.294) 9.214 6.036 ( -3.964 -3.376 -2.191) 5.649 6.242 ( -1.883 0.218 -0.095) 1.898 7.020 ( 3.335 0.109 -2.312) 4.059 7.434 ( -10.826 -9.446 2.551) 14.593 8.216 ( -3.538 -2.703 -4.226) 6.139======================= Grid point 20 (13/344) =======================q-point: ( 0.33 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.308 ( 7.938 4.576 -1.837) 9.344 1.557 ( 5.947 12.184 -6.897) 15.211 1.980 ( 3.484 1.119 -1.015) 3.797 2.109 ( 6.197 8.277 1.490) 10.447 2.755 ( -2.417 -1.292 -0.109) 2.743 3.348 ( 15.666 11.803 3.849) 19.989 5.572 ( 6.291 7.154 -0.161) 9.528 5.961 ( -0.997 -1.224 -3.085) 3.465 6.225 ( -1.388 2.022 0.057) 2.454 7.040 ( -0.291 -1.590 1.527) 2.224 7.162 ( -11.350 -8.748 -0.685) 14.346 8.133 ( -1.541 -2.609 -3.476) 4.612======================= Grid point 21 (14/344) =======================q-point: ( 0.40 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.439 ( 3.801 3.673 -1.497) 5.494 1.746 ( 7.229 8.051 -6.110) 12.426 2.030 ( 2.631 0.518 -1.684) 3.167 2.285 ( 4.846 7.423 1.168) 8.941 2.672 ( -5.995 -1.739 3.135) 6.985 3.671 ( 10.786 7.396 1.577) 13.173 5.729 ( 4.324 6.658 -0.617) 7.963 5.971 ( 3.376 1.031 -3.274) 4.814 6.235 ( -0.635 3.230 0.177) 3.297 6.860 ( -13.580 -7.268 2.768) 15.649 7.027 ( -0.641 -2.253 -2.416) 3.365 8.100 ( 1.004 -2.214 -1.762) 3.002======================= Grid point 22 (15/344) =======================q-point: ( 0.47 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.505 ( 0.894 3.075 -0.861) 3.316 1.899 ( 5.295 3.279 -3.593) 7.190 2.089 ( 4.677 1.607 -2.888) 5.727 2.394 ( 1.057 2.237 1.938) 3.143 2.557 ( -8.130 2.683 2.872) 9.030 3.856 ( 5.435 2.889 0.657) 6.190 5.832 ( 1.153 5.516 -0.663) 5.674 6.069 ( 7.185 1.794 -2.467) 7.806 6.263 ( -0.086 3.869 -0.196) 3.875 6.581 ( -12.935 -5.462 1.800) 14.156 6.994 ( -0.632 -1.156 -0.993) 1.650 8.103 ( 1.979 -2.241 -0.440) 3.022======================= Grid point 23 (16/344) =======================q-point: (-0.47 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.527 ( -1.048 2.200 -0.140) 2.440 1.954 ( 1.029 -0.604 -0.473) 1.283 2.175 ( 3.113 -1.404 -1.820) 3.870 2.364 ( -1.853 -0.750 1.391) 2.436 2.515 ( -5.484 8.835 -0.048) 10.399 3.915 ( 0.261 -0.620 0.530) 0.857 5.868 ( -2.103 3.984 -0.163) 4.508 6.168 ( 2.981 -3.950 -0.114) 4.950 6.334 ( 2.002 5.774 -1.419) 6.274 6.365 ( -6.301 0.895 1.833) 6.623 6.983 ( 0.364 -0.230 -0.253) 0.499 8.111 ( 1.611 -2.588 0.309) 3.064======================= Grid point 24 (17/344) =======================q-point: (-0.40 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.512 ( -2.682 0.797 0.707) 2.886 1.924 ( -3.593 -2.587 2.327) 5.002 2.114 ( -3.966 -3.793 2.916) 6.214 2.377 ( -1.029 -0.227 -2.147) 2.392 2.531 ( -0.447 9.107 -3.031) 9.608 3.855 ( -5.579 -3.365 0.270) 6.521 5.837 ( -5.141 1.786 0.465) 5.462 6.090 ( -4.193 -5.526 2.477) 7.366 6.267 ( -4.157 2.327 0.728) 4.819 6.563 ( 11.109 8.456 -2.414) 14.168 7.001 ( 1.819 0.118 0.651) 1.935 8.110 ( 1.242 -2.639 1.114) 3.122======================= Grid point 25 (18/344) =======================q-point: (-0.33 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.453 ( -4.515 -1.668 1.842) 5.154 1.797 ( -9.230 -2.746 5.737) 11.209 2.045 ( -2.189 -2.103 1.910) 3.586 2.275 ( -8.660 -0.867 -1.181) 8.783 2.641 ( 4.848 5.378 -4.238) 8.390 3.660 ( -12.618 -5.848 -0.853) 13.934 5.734 ( -7.921 -0.628 0.665) 7.973 5.999 ( -2.254 -2.808 3.433) 4.975 6.234 ( -2.838 2.584 -0.023) 3.838 6.827 ( 11.617 7.709 -4.903) 14.779 7.050 ( 3.747 -0.100 2.782) 4.668 8.118 ( 1.970 -1.729 2.419) 3.567======================= Grid point 26 (19/344) =======================q-point: (-0.27 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.330 ( -7.322 -5.480 3.343) 9.737 1.617 ( -12.794 -0.013 7.194) 14.678 1.986 ( -3.378 -2.442 0.428) 4.190 2.095 ( -10.428 -1.495 -1.620) 10.658 2.750 ( 4.325 2.765 -1.152) 5.261 3.318 ( -19.634 -7.957 -3.070) 21.406 5.575 ( -9.423 -2.184 0.414) 9.681 5.987 ( 1.450 -0.231 3.010) 3.349 6.224 ( -1.180 2.535 -0.162) 2.801 7.002 ( 4.017 2.470 -6.496) 8.028 7.184 ( 10.682 2.832 3.647) 11.637 8.164 ( 3.605 -0.025 3.654) 5.133======================= Grid point 27 (20/344) =======================q-point: (-0.20 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.118 ( -11.291 -8.481 4.155) 14.720 1.408 ( -16.700 2.595 7.388) 18.445 1.871 ( -7.127 -3.740 -2.228) 8.351 1.914 ( -8.554 -1.364 -1.988) 8.887 2.751 ( -16.933 -3.694 5.092) 18.064 2.935 ( -4.959 -3.296 -7.046) 9.226 5.397 ( -9.050 -2.357 0.083) 9.353 6.053 ( 4.628 1.284 1.808) 5.131 6.242 ( 0.735 1.916 -0.124) 2.056 7.019 ( -0.299 -0.742 -2.538) 2.661 7.424 ( 12.702 3.679 0.179) 13.226 8.249 ( 4.326 1.062 3.572) 5.709======================= Grid point 28 (21/344) =======================q-point: (-0.13 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.830 ( -14.697 -7.767 3.118) 16.914 1.145 ( -20.732 3.285 6.108) 21.862 1.639 ( -15.687 -5.136 -5.262) 17.325 1.785 ( -5.213 -0.761 -1.050) 5.372 2.276 ( -25.991 -5.083 0.926) 26.500 2.968 ( 3.978 0.487 -0.491) 4.037 5.241 ( -7.301 -1.443 -0.086) 7.443 6.161 ( 6.099 1.282 0.618) 6.263 6.281 ( 2.148 0.937 -0.058) 2.344 6.982 ( -2.395 -1.047 0.301) 2.631 7.664 ( 12.627 2.484 -0.728) 12.890 8.329 ( 2.813 0.742 2.021) 3.542======================= Grid point 29 (22/344) =======================q-point: (-0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.529 ( -16.244 0.000 0.000) 16.244 0.810 ( -23.201 0.000 0.000) 23.201 1.205 ( -30.464 0.000 0.000) 30.464 1.715 ( -2.747 0.000 0.000) 2.747 1.910 ( -14.922 0.000 0.000) 14.922 3.027 ( 2.737 -0.000 -0.000) 2.737 5.131 ( -4.957 0.000 0.000) 4.957 6.269 ( 5.605 -0.000 -0.000) 5.605 6.325 ( 2.486 -0.000 -0.000) 2.486 6.930 ( -3.141 0.000 0.000) 3.141 7.881 ( 11.845 -0.000 -0.000) 11.845 8.357 ( -0.343 0.000 0.000) 0.343======================= Grid point 32 (23/344) =======================q-point: ( 0.13 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.868 ( 0.000 17.438 11.675) 20.985 0.911 ( 0.000 20.153 8.960) 22.055 1.336 ( -0.000 25.723 4.101) 26.048 1.690 ( -0.000 2.474 -4.370) 5.022 2.010 ( -0.000 18.838 0.047) 18.838 2.997 ( -0.000 -4.194 -2.236) 4.753 5.163 ( -0.000 5.802 0.596) 5.832 6.235 ( 0.000 -5.431 -0.758) 5.484 6.306 ( 0.000 -2.950 -0.520) 2.996 6.825 ( -0.000 7.093 -17.100) 18.513 7.854 ( 0.000 -12.912 4.942) 13.826 8.366 ( -0.000 -0.231 -0.281) 0.363======================= Grid point 33 (24/344) =======================q-point: ( 0.20 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.966 ( -4.687 16.653 11.858) 20.974 1.202 ( 4.569 19.374 0.113) 19.906 1.638 ( 7.773 12.361 5.145) 15.481 1.748 ( 4.721 5.102 -2.910) 7.536 2.280 ( 7.549 24.984 -0.559) 26.106 2.941 ( -0.443 -4.446 -2.667) 5.203 5.247 ( 2.403 7.150 0.785) 7.584 6.161 ( -2.423 -5.276 -0.644) 5.841 6.276 ( -0.050 -2.399 -0.470) 2.446 6.872 ( 3.656 3.607 -11.628) 12.712 7.703 ( -4.578 -12.504 4.396) 14.023 8.334 ( -2.591 -1.615 -1.464) 3.386======================= Grid point 34 (25/344) =======================q-point: ( 0.27 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.109 ( 0.845 13.149 7.427) 15.125 1.430 ( 2.874 16.787 -4.026) 17.501 1.813 ( 5.725 4.392 -0.934) 7.275 1.920 ( 5.920 8.068 2.694) 10.363 2.668 ( 9.047 18.137 -4.846) 20.840 2.928 ( 4.821 1.583 3.365) 6.088 5.382 ( 4.503 8.373 0.943) 9.554 6.059 ( -3.668 -4.082 -1.328) 5.646 6.260 ( -0.063 -0.369 -0.456) 0.591 6.935 ( 4.652 -0.073 -7.005) 8.410 7.499 ( -7.512 -11.338 3.936) 14.159 8.246 ( -4.407 -2.779 -2.760) 5.896======================= Grid point 35 (26/344) =======================q-point: ( 0.33 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.273 ( 3.724 9.357 3.387) 10.625 1.601 ( 2.234 13.047 -4.971) 14.139 1.925 ( 4.106 1.849 -1.565) 4.768 2.106 ( 5.686 9.714 1.988) 11.430 2.761 ( 0.092 -0.405 -3.043) 3.071 3.239 ( 13.802 15.010 4.045) 20.788 5.555 ( 5.465 9.150 0.855) 10.692 5.969 ( -2.605 -2.073 -2.114) 3.944 6.265 ( -0.347 2.276 -0.736) 2.417 6.977 ( 3.787 -2.720 -4.611) 6.558 7.263 ( -9.826 -9.687 3.684) 14.282 8.136 ( -3.697 -3.323 -3.099) 5.858======================= Grid point 36 (27/344) =======================q-point: ( 0.40 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.421 ( 3.672 6.994 1.252) 7.998 1.735 ( 2.825 9.455 -4.496) 10.844 1.982 ( 2.784 0.086 -1.906) 3.375 2.293 ( 4.597 8.915 1.965) 10.221 2.740 ( -1.924 0.589 0.546) 2.085 3.576 ( 10.711 9.805 1.745) 14.626 5.730 ( 4.593 8.884 0.451) 10.011 5.935 ( 0.648 0.224 -2.349) 2.447 6.286 ( -0.702 4.248 -1.101) 4.444 6.966 ( -1.806 -6.267 -5.474) 8.515 7.027 ( -7.892 -4.646 5.150) 10.507 8.058 ( -0.623 -3.561 -2.191) 4.228======================= Grid point 37 (28/344) =======================q-point: ( 0.47 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.528 ( 1.343 5.812 0.256) 5.970 1.852 ( 3.602 5.226 -3.110) 7.068 2.025 ( 3.429 0.178 -2.022) 3.985 2.409 ( 1.109 2.670 2.749) 3.989 2.722 ( -4.674 7.432 0.832) 8.819 3.787 ( 6.687 3.761 0.725) 7.706 5.867 ( 2.286 7.357 -0.023) 7.704 5.983 ( 4.295 1.874 -1.803) 5.021 6.313 ( -0.835 4.655 -1.498) 4.961 6.742 ( -11.651 -5.198 0.765) 12.781 6.984 ( 0.039 -1.393 -0.471) 1.471 8.033 ( 2.161 -3.980 -0.908) 4.619======================= Grid point 38 (29/344) =======================q-point: ( 0.53 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.579 ( -1.189 4.821 0.006) 4.966 1.921 ( 2.081 0.578 -1.302) 2.522 2.093 ( 4.543 0.033 -2.483) 5.177 2.399 ( -2.471 -1.680 2.767) 4.072 2.732 ( -6.834 13.100 -0.108) 14.776 3.883 ( 3.088 -0.652 0.687) 3.230 5.945 ( -0.784 5.944 0.009) 5.995 6.073 ( 4.832 -0.426 -0.729) 4.905 6.346 ( 0.881 4.299 -2.174) 4.898 6.532 ( -10.446 0.477 2.178) 10.681 6.976 ( 0.076 -0.209 -0.606) 0.646 8.037 ( 3.043 -4.483 0.025) 5.418======================= Grid point 39 (30/344) =======================q-point: (-0.40 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.582 ( -3.264 3.296 0.262) 4.646 1.933 ( 0.060 -1.329 0.127) 1.336 2.116 ( 0.164 -3.664 -0.261) 3.677 2.368 ( -0.200 0.577 -0.449) 0.758 2.726 ( -8.583 12.517 -0.704) 15.193 3.884 ( -1.184 -2.956 0.833) 3.292 5.948 ( -4.400 3.519 0.312) 5.643 6.086 ( -0.786 -4.071 0.746) 4.213 6.376 ( -3.327 1.747 0.810) 3.844 6.501 ( 3.475 9.398 -1.000) 10.069 6.979 ( 0.700 -0.182 -0.252) 0.766 8.043 ( 2.852 -4.523 0.760) 5.401======================= Grid point 40 (31/344) =======================q-point: (-0.33 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.533 ( -5.252 0.771 0.790) 5.367 1.894 ( -3.565 -1.509 1.818) 4.278 2.062 ( -1.811 -3.012 1.792) 3.945 2.364 ( -2.043 0.085 -2.146) 2.964 2.698 ( -5.822 8.992 -1.869) 10.874 3.784 ( -7.475 -3.908 0.384) 8.444 5.873 ( -7.516 1.258 0.600) 7.644 6.014 ( -2.533 -3.487 1.751) 4.651 6.336 ( -4.730 3.994 1.167) 6.300 6.708 ( 9.982 8.106 -3.081) 13.223 6.997 ( 2.254 -1.249 0.869) 2.720 8.055 ( 3.110 -3.494 1.587) 4.940======================= Grid point 41 (32/344) =======================q-point: (-0.27 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.425 ( -7.459 -1.964 1.524) 7.863 1.803 ( -7.302 0.272 3.248) 7.997 2.014 ( -2.182 -1.990 1.298) 3.226 2.261 ( -9.424 -0.017 -1.324) 9.517 2.718 ( 1.242 4.068 -2.083) 4.736 3.554 ( -15.593 -4.301 -0.656) 16.189 5.729 ( -10.129 -0.321 0.351) 10.140 5.973 ( 0.053 -1.477 1.953) 2.449 6.300 ( -4.132 3.418 0.547) 5.391 6.927 ( 7.710 5.874 -6.401) 11.616 7.049 ( 6.776 -1.965 4.137) 8.178 8.097 ( 4.356 -1.535 2.186) 5.110======================= Grid point 42 (33/344) =======================q-point: (-0.20 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.258 ( -10.427 -2.774 1.607) 10.908 1.673 ( -10.761 1.521 3.144) 11.314 1.941 ( -4.891 -1.757 -0.214) 5.201 2.074 ( -11.597 -0.178 -0.930) 11.636 2.794 ( 4.556 1.580 0.179) 4.825 3.185 ( -23.422 -3.724 -1.701) 23.777 5.548 ( -10.694 -0.777 0.094) 10.723 5.998 ( 3.055 0.002 1.119) 3.254 6.272 ( -2.174 1.690 0.120) 2.756 7.000 ( 1.342 0.367 -2.566) 2.919 7.236 ( 12.734 1.109 1.046) 12.825 8.179 ( 5.407 -0.025 1.712) 5.672======================= Grid point 43 (34/344) =======================q-point: (-0.13 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.042 ( -13.700 0.000 0.000) 13.700 1.472 ( -15.530 0.000 0.000) 15.530 1.814 ( -9.234 0.000 0.000) 9.234 1.897 ( -8.892 0.000 0.000) 8.892 2.719 ( -28.539 0.000 0.000) 28.539 2.890 ( 5.314 -0.000 -0.000) 5.314 5.374 ( -9.461 0.000 0.000) 9.461 6.071 ( 5.270 -0.000 -0.000) 5.270 6.264 ( 0.297 -0.000 -0.000) 0.297 7.002 ( -0.604 0.000 0.000) 0.604 7.460 ( 13.099 -0.000 -0.000) 13.099 8.271 ( 4.850 -0.000 -0.000) 4.850======================= Grid point 48 (35/344) =======================q-point: ( 0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.221 ( 0.000 12.401 9.008) 15.327 1.321 ( 0.000 17.857 6.061) 18.858 1.723 ( -0.000 13.319 3.620) 13.803 1.740 ( -0.000 6.273 -5.147) 8.114 2.471 ( -0.000 27.326 -1.360) 27.360 2.887 ( -0.000 -5.160 -2.724) 5.835 5.304 ( -0.000 8.314 0.741) 8.347 6.133 ( 0.000 -4.543 0.021) 4.543 6.245 ( 0.000 -2.915 -0.633) 2.983 6.840 ( -0.000 2.362 -11.107) 11.356 7.627 ( 0.000 -13.111 3.763) 13.640 8.337 ( -0.000 -2.208 -0.843) 2.363======================= Grid point 49 (36/344) =======================q-point: ( 0.27 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.294 ( -3.995 10.527 7.805) 13.700 1.531 ( 2.677 14.677 0.847) 14.943 1.800 ( 1.477 7.830 -2.535) 8.362 1.909 ( 5.855 9.099 2.230) 11.048 2.714 ( 2.076 10.415 -8.614) 13.674 2.900 ( 4.657 10.559 5.359) 12.723 5.411 ( 2.567 9.212 0.891) 9.604 6.072 ( -2.537 -3.310 -0.322) 4.182 6.234 ( 1.624 -1.569 -0.497) 2.313 6.846 ( 2.712 -0.632 -8.606) 9.045 7.485 ( -3.374 -12.325 3.250) 13.186 8.282 ( -3.334 -2.729 -1.308) 4.503======================= Grid point 50 (37/344) =======================q-point: ( 0.33 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.363 ( -0.923 8.744 5.426) 10.332 1.686 ( 1.088 11.802 -2.224) 12.059 1.889 ( 2.252 4.222 -2.047) 5.204 2.106 ( 6.393 9.850 1.860) 11.889 2.722 ( 1.671 -2.814 -4.502) 5.566 3.220 ( 9.162 19.517 3.559) 21.853 5.567 ( 4.557 9.878 1.203) 10.945 5.995 ( -3.249 -1.579 -1.154) 3.792 6.263 ( 2.239 0.988 -0.899) 2.607 6.861 ( 3.988 -3.630 -6.200) 8.217 7.306 ( -5.757 -10.567 3.112) 12.430 8.176 ( -5.214 -2.948 -1.957) 6.301======================= Grid point 51 (38/344) =======================q-point: ( 0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.462 ( 1.569 7.765 3.728) 8.756 1.789 ( 0.527 8.905 -2.836) 9.360 1.938 ( 1.849 0.735 -2.404) 3.121 2.304 ( 5.059 8.620 2.377) 10.274 2.738 ( 3.031 0.442 -1.074) 3.246 3.531 ( 7.853 12.960 1.546) 15.232 5.746 ( 4.731 9.653 1.284) 10.826 5.942 ( -1.711 0.492 -1.502) 2.329 6.313 ( 1.573 3.179 -2.011) 4.077 6.869 ( 3.677 -5.242 -4.566) 7.865 7.117 ( -7.153 -7.543 3.365) 10.927 8.058 ( -4.239 -3.151 -2.072) 5.674======================= Grid point 52 (39/344) =======================q-point: ( 0.47 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.573 ( 1.589 7.294 2.382) 7.836 1.863 ( 0.736 5.450 -1.728) 5.765 1.967 ( 2.633 -0.242 -2.279) 3.490 2.419 ( 1.413 2.000 2.939) 3.826 2.831 ( 2.302 9.293 -0.155) 9.575 3.727 ( 5.113 5.081 0.350) 7.217 5.894 ( 2.567 6.722 0.685) 7.228 5.955 ( 1.867 3.464 -0.853) 4.027 6.352 ( 0.158 2.918 -3.156) 4.301 6.833 ( -2.994 -3.912 -1.866) 5.268 6.980 ( -2.590 -2.941 2.267) 4.528 7.975 ( -0.983 -3.932 -1.513) 4.326======================= Grid point 53 (40/344) =======================q-point: ( 0.53 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.654 ( -0.655 6.718 1.101) 6.839 1.903 ( 0.686 1.298 -0.667) 1.612 2.016 ( 3.847 -0.225 -1.753) 4.234 2.423 ( -1.291 -1.428 2.464) 3.127 2.955 ( -2.547 15.118 -0.228) 15.333 3.812 ( 3.642 -1.600 0.218) 3.984 5.984 ( 2.852 4.091 0.631) 5.027 6.027 ( 1.200 3.435 -0.481) 3.670 6.356 ( -0.029 0.216 -3.298) 3.305 6.716 ( -8.322 2.731 1.473) 8.882 6.968 ( 0.859 -0.221 -0.108) 0.893 7.940 ( 2.179 -5.080 -0.651) 5.566======================= Grid point 54 (41/344) =======================q-point: (-0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.682 ( -3.394 5.426 0.571) 6.425 1.915 ( 0.610 -0.535 -0.298) 0.864 2.056 ( 2.576 -2.694 -1.271) 3.938 2.390 ( -1.604 -0.389 1.119) 1.994 3.008 ( -8.738 14.873 -0.509) 17.258 3.836 ( 2.896 -4.593 0.699) 5.475 6.034 ( -2.437 1.077 -0.297) 2.681 6.060 ( 1.458 1.378 1.148) 2.311 6.361 ( 2.639 -0.703 -2.133) 3.465 6.650 ( -6.625 9.127 1.701) 11.405 6.974 ( -0.165 -0.011 -0.799) 0.816 7.940 ( 3.719 -5.344 0.183) 6.513======================= Grid point 55 (42/344) =======================q-point: (-0.33 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.646 ( -5.927 2.755 0.437) 6.551 1.912 ( -0.260 -0.737 0.130) 0.792 2.046 ( 0.490 -3.240 -0.090) 3.278 2.375 ( -0.564 0.459 -0.561) 0.918 2.948 ( -12.041 9.914 -0.670) 15.612 3.820 ( -0.734 -3.742 0.733) 3.884 5.980 ( -3.853 -0.567 0.387) 3.913 6.045 ( -3.761 -0.367 0.799) 3.862 6.410 ( 1.682 1.293 0.065) 2.122 6.687 ( 0.184 9.740 -0.259) 9.745 6.961 ( 0.314 -1.938 -0.556) 2.040 7.961 ( 4.146 -3.973 0.777) 5.795======================= Grid point 56 (43/344) =======================q-point: (-0.27 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.546 ( -7.630 0.177 0.401) 7.642 1.887 ( -2.580 -0.092 0.549) 2.639 2.024 ( -0.542 -1.414 0.701) 1.669 2.356 ( -2.596 0.035 -0.904) 2.749 2.823 ( -9.473 3.993 -0.668) 10.302 3.725 ( -8.106 -1.965 0.197) 8.343 5.888 ( -8.019 0.188 0.334) 8.028 5.977 ( -2.189 -1.144 0.608) 2.544 6.407 ( -4.013 2.100 0.622) 4.572 6.833 ( 7.824 6.082 -2.400) 10.196 6.957 ( 2.358 -3.364 1.188) 4.277 8.009 ( 4.702 -1.665 0.838) 5.058======================= Grid point 57 (44/344) =======================q-point: (-0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.408 ( -8.849 0.000 0.000) 8.849 1.820 ( -5.966 0.000 0.000) 5.966 1.995 ( -2.498 0.000 0.000) 2.498 2.257 ( -9.395 0.000 0.000) 9.395 2.754 ( -0.309 0.000 0.000) 0.309 3.507 ( -16.823 0.000 0.000) 16.823 5.727 ( -10.831 0.000 0.000) 10.831 5.964 ( 0.906 -0.000 -0.000) 0.906 6.340 ( -4.638 0.000 0.000) 4.638 6.971 ( 2.018 -0.000 -0.000) 2.018 7.035 ( 11.869 -0.000 -0.000) 11.869 8.088 ( 5.452 -0.000 -0.000) 5.452======================= Grid point 64 (45/344) =======================q-point: ( 0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.413 ( 0.000 4.376 2.895) 5.247 1.649 ( -0.000 13.440 2.823) 13.733 1.897 ( -0.000 11.824 -1.918) 11.979 1.927 ( -0.000 6.908 1.349) 7.039 2.689 ( -0.000 -4.540 -7.391) 8.674 3.057 ( -0.000 23.973 4.695) 24.429 5.479 ( -0.000 9.231 0.471) 9.243 6.073 ( 0.000 -1.521 0.131) 1.527 6.197 ( 0.000 -1.552 -0.386) 1.600 6.787 ( -0.000 -2.265 -7.644) 7.972 7.401 ( 0.000 -12.096 2.201) 12.295 8.283 ( 0.000 -2.682 -0.756) 2.787======================= Grid point 65 (46/344) =======================q-point: ( 0.33 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.446 ( -0.143 3.530 1.560) 3.862 1.776 ( 0.452 10.274 0.621) 10.302 1.934 ( -2.198 5.662 -2.285) 6.489 2.095 ( 6.545 10.046 0.549) 12.003 2.635 ( 1.912 -5.725 -3.303) 6.880 3.327 ( 3.539 21.871 3.144) 22.377 5.595 ( 3.254 9.043 0.462) 9.622 6.038 ( -2.928 0.010 -0.634) 2.996 6.217 ( 3.066 0.211 -0.381) 3.097 6.755 ( 2.052 -4.320 -5.544) 7.322 7.275 ( -2.309 -10.797 1.507) 11.143 8.225 ( -3.697 -2.413 -0.905) 4.506======================= Grid point 66 (47/344) =======================q-point: ( 0.40 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.503 ( 2.099 4.297 1.897) 5.145 1.862 ( -0.201 7.395 -0.695) 7.430 1.933 ( -0.837 1.663 -3.803) 4.235 2.302 ( 5.864 8.722 2.001) 10.699 2.646 ( 5.767 -2.455 -0.712) 6.308 3.580 ( 3.589 15.692 1.697) 16.186 5.757 ( 5.226 8.781 0.840) 10.253 5.989 ( -3.101 1.537 -1.114) 3.636 6.284 ( 3.680 1.749 -1.682) 4.408 6.741 ( 3.599 -5.531 -3.156) 7.315 7.135 ( -3.633 -8.472 1.201) 9.296 8.118 ( -5.856 -2.025 -1.235) 6.318======================= Grid point 67 (48/344) =======================q-point: ( 0.47 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.604 ( 3.419 5.322 2.354) 6.749 1.907 ( -0.599 3.129 0.487) 3.223 1.932 ( 0.751 1.627 -4.251) 4.613 2.421 ( 1.380 1.861 3.008) 3.796 2.801 ( 10.183 6.286 -0.373) 11.973 3.738 ( 1.122 8.001 0.383) 8.088 5.916 ( 3.274 6.732 0.884) 7.538 5.975 ( -0.313 3.768 -0.633) 3.834 6.341 ( 1.914 0.667 -3.646) 4.172 6.763 ( 5.098 -3.377 -0.776) 6.164 7.008 ( -3.705 -5.166 1.182) 6.467 7.997 ( -5.512 -2.156 -1.380) 6.078======================= Grid point 68 (49/344) =======================q-point: ( 0.53 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.715 ( 2.120 6.100 1.759) 6.693 1.912 ( -0.263 0.096 0.252) 0.377 1.961 ( 1.667 1.019 -1.896) 2.722 2.432 ( -0.604 -1.001 2.154) 2.451 3.052 ( 8.080 12.141 -0.011) 14.584 3.772 ( -1.151 -0.161 -0.295) 1.199 5.981 ( 1.163 3.525 0.515) 3.747 6.053 ( 1.573 5.044 0.227) 5.288 6.332 ( -0.022 -2.702 -3.854) 4.706 6.824 ( 0.899 2.776 0.327) 2.936 6.940 ( 0.351 -1.999 1.071) 2.295 7.896 ( -2.807 -3.344 -1.151) 4.515======================= Grid point 69 (50/344) =======================q-point: ( 0.60 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.788 ( -1.463 6.366 0.948) 6.600 1.907 ( -0.181 -0.280 0.008) 0.333 1.984 ( 2.249 -2.650 -0.724) 3.550 2.411 ( -1.172 -0.659 1.009) 1.681 3.256 ( -1.327 15.596 -0.111) 15.652 3.725 ( 1.634 -7.511 -0.003) 7.687 6.033 ( 0.909 1.082 0.498) 1.498 6.101 ( -0.432 4.064 0.622) 4.134 6.296 ( 1.569 -3.654 -2.684) 4.797 6.830 ( -4.209 6.404 1.357) 7.783 6.968 ( 1.347 0.129 -0.406) 1.412 7.842 ( 1.294 -4.293 -0.484) 4.510======================= Grid point 70 (51/344) =======================q-point: (-0.33 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.777 ( -5.877 3.422 0.494) 6.819 1.905 ( 0.270 -0.179 -0.067) 0.331 1.990 ( 2.374 -2.794 -0.495) 3.700 2.392 ( -0.975 0.095 0.221) 1.004 3.250 ( -13.011 8.751 -0.360) 15.684 3.735 ( 6.179 -4.843 0.426) 7.862 6.016 ( -2.233 -0.808 -0.077) 2.376 6.114 ( -2.686 1.653 0.855) 3.268 6.331 ( 5.876 -0.914 -1.035) 6.036 6.834 ( -4.271 7.898 1.635) 9.126 6.946 ( -1.754 -2.824 -1.437) 3.622 7.856 ( 4.267 -2.746 0.122) 5.076======================= Grid point 71 (52/344) =======================q-point: (-0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.676 ( -7.578 0.000 0.000) 7.578 1.907 ( -0.213 0.000 0.000) 0.213 2.009 ( 1.350 -0.000 -0.000) 1.350 2.378 ( -0.859 0.000 0.000) 0.859 3.051 ( -14.212 0.000 0.000) 14.212 3.779 ( 0.356 -0.000 -0.000) 0.356 5.969 ( -2.811 0.000 0.000) 2.811 6.050 ( -5.595 0.000 0.000) 5.595 6.422 ( 3.842 -0.000 -0.000) 3.842 6.818 ( -2.489 0.000 0.000) 2.489 6.910 ( 1.033 -0.000 -0.000) 1.033 7.921 ( 4.853 -0.000 -0.000) 4.853======================= Grid point 80 (53/344) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.462 ( -0.000 1.170 -1.002) 1.540 1.865 ( -0.000 8.108 0.902) 8.158 1.995 ( -0.000 1.026 -5.720) 5.812 2.126 ( -0.000 11.406 0.265) 11.409 2.556 ( 0.000 -5.658 0.633) 5.693 3.514 ( -0.000 20.122 2.760) 20.311 5.643 ( -0.000 7.272 -0.383) 7.282 6.074 ( -0.000 1.688 -1.435) 2.215 6.190 ( 0.000 1.019 0.387) 1.090 6.681 ( -0.000 -5.004 -3.350) 6.022 7.194 ( 0.000 -10.016 0.230) 10.018 8.234 ( 0.000 -1.923 -0.477) 1.981======================= Grid point 81 (54/344) =======================q-point: ( 0.40 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.488 ( 2.461 1.325 -0.794) 2.905 1.928 ( -0.464 4.242 1.416) 4.496 1.952 ( -1.545 0.503 -8.413) 8.568 2.289 ( 6.079 9.118 0.625) 10.977 2.537 ( 2.895 -3.859 2.890) 5.624 3.703 ( 0.792 15.478 1.937) 15.618 5.743 ( 4.611 6.046 -0.434) 7.616 6.059 ( -2.997 2.531 -1.966) 4.388 6.238 ( 3.044 2.038 -0.364) 3.681 6.639 ( 1.626 -5.223 -0.773) 5.524 7.093 ( -1.272 -8.242 -0.491) 8.354 8.185 ( -3.828 -1.325 -0.505) 4.082======================= Grid point 82 (55/344) =======================q-point: ( 0.47 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.570 ( 5.152 2.283 0.563) 5.663 1.906 ( 0.161 -1.596 -3.638) 3.976 1.967 ( -0.806 4.054 -1.537) 4.410 2.430 ( 1.297 2.878 2.877) 4.271 2.644 ( 11.951 2.132 0.432) 12.148 3.829 ( -1.004 9.474 0.876) 9.567 5.897 ( 6.479 5.377 0.077) 8.420 6.032 ( -2.487 3.180 -1.483) 4.301 6.298 ( 2.287 0.666 -2.275) 3.294 6.641 ( 4.383 -3.860 1.242) 5.971 7.000 ( -1.576 -5.504 -0.632) 5.760 8.086 ( -6.382 -0.840 -0.685) 6.474======================= Grid point 83 (56/344) =======================q-point: ( 0.53 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.693 ( 5.911 2.899 1.107) 6.676 1.899 ( 0.937 -0.923 -1.097) 1.713 1.977 ( -1.060 2.115 -1.009) 2.572 2.443 ( -0.865 -0.256 2.099) 2.284 2.924 ( 15.754 5.410 -0.084) 16.657 3.846 ( -4.662 3.411 0.037) 5.777 6.010 ( 0.450 3.658 0.396) 3.707 6.058 ( 2.924 3.676 -0.464) 4.720 6.298 ( -0.388 -2.390 -2.730) 3.649 6.734 ( 8.639 -0.566 1.249) 8.747 6.939 ( -1.113 -2.180 -0.171) 2.454 7.961 ( -7.040 -0.986 -0.761) 7.149======================= Grid point 84 (57/344) =======================q-point: ( 0.60 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.814 ( 4.770 3.074 0.549) 5.701 1.903 ( 0.418 -0.496 0.022) 0.649 1.962 ( -1.919 -0.387 -0.288) 1.978 2.425 ( -1.078 -0.394 0.710) 1.350 3.242 ( 15.256 6.236 0.113) 16.482 3.741 ( -8.728 -1.889 -0.253) 8.934 6.042 ( 0.183 1.869 0.596) 1.970 6.133 ( 1.936 3.420 0.187) 3.934 6.242 ( -1.222 -3.966 -1.907) 4.567 6.885 ( 6.353 2.090 -0.024) 6.688 6.920 ( 0.587 -0.489 0.648) 1.002 7.843 ( -4.941 -1.430 -0.494) 5.168======================= Grid point 85 (58/344) =======================q-point: (-0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.893 ( -4.602 0.000 0.000) 4.602 1.903 ( -0.335 0.000 0.000) 0.335 1.915 ( 4.330 -0.000 -0.000) 4.330 2.408 ( -0.912 0.000 0.000) 0.912 3.529 ( -13.362 0.000 0.000) 13.362 3.531 ( 13.486 -0.000 -0.000) 13.486 6.043 ( -1.179 0.000 0.000) 1.179 6.169 ( -2.536 0.000 0.000) 2.536 6.226 ( 5.074 -0.000 -0.000) 5.074 6.911 ( -0.631 0.000 0.000) 0.631 6.963 ( -0.277 0.000 0.000) 0.277 7.795 ( 0.646 -0.000 -0.000) 0.646======================= Grid point 96 (59/344) =======================q-point: ( 0.40 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.467 ( -0.000 0.402 -1.597) 1.647 1.909 ( -0.000 -4.207 -7.946) 8.991 1.983 ( -0.000 4.182 -1.258) 4.367 2.313 ( -0.000 7.596 0.480) 7.611 2.500 ( 0.000 -2.340 4.991) 5.512 3.840 ( -0.000 12.362 1.656) 12.472 5.742 ( -0.000 3.536 -1.018) 3.680 6.105 ( -0.000 2.559 -3.835) 4.610 6.236 ( 0.000 2.890 0.958) 3.045 6.583 ( 0.000 -4.261 1.758) 4.609 7.026 ( 0.000 -6.929 -1.378) 7.065 8.206 ( 0.000 -0.866 -0.211) 0.892======================= Grid point 97 (60/344) =======================q-point: ( 0.47 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.502 ( 4.064 0.668 -0.664) 4.172 1.856 ( 1.084 -3.346 -5.877) 6.849 2.008 ( -0.590 2.519 -0.555) 2.646 2.432 ( 4.735 5.119 0.619) 7.001 2.509 ( 3.351 -1.436 3.240) 4.877 3.935 ( -0.974 7.753 0.963) 7.873 5.820 ( 6.072 2.486 -0.690) 6.597 6.094 ( -2.198 2.192 -2.941) 4.276 6.278 ( 1.209 1.895 -0.180) 2.255 6.566 ( 1.488 -2.845 2.711) 4.202 6.962 ( -0.339 -4.628 -1.399) 4.847 8.167 ( -3.822 -0.417 -0.205) 3.850======================= Grid point 98 (61/344) =======================q-point: ( 0.53 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.603 ( 6.740 0.909 0.301) 6.807 1.854 ( 2.467 -1.276 -2.091) 3.477 2.010 ( -1.055 1.147 -0.352) 1.597 2.467 ( -1.201 0.307 1.484) 1.934 2.692 ( 14.794 1.664 0.087) 14.887 3.953 ( -3.546 3.116 0.288) 4.729 5.965 ( 7.936 1.826 -0.070) 8.143 6.072 ( -1.657 1.403 -1.186) 2.474 6.291 ( -0.620 -0.105 -0.760) 0.986 6.605 ( 5.245 -1.162 1.492) 5.576 6.925 ( 0.032 -1.798 -0.660) 1.916 8.075 ( -6.688 -0.163 -0.223) 6.694======================= Grid point 99 (62/344) =======================q-point: (-0.40 -0.60 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.725 ( 6.871 -0.000 -0.000) 6.871 1.884 ( 1.717 -0.000 -0.000) 1.717 1.994 ( -1.554 0.000 0.000) 1.554 2.446 ( -1.448 0.000 0.000) 1.448 2.979 ( 17.876 -0.000 -0.000) 17.876 3.878 ( -7.121 0.000 0.000) 7.121 6.057 ( -0.671 0.000 0.000) 0.671 6.087 ( 5.101 -0.000 -0.000) 5.101 6.260 ( -2.412 0.000 0.000) 2.412 6.732 ( 9.995 -0.000 -0.000) 9.995 6.920 ( 0.184 -0.000 -0.000) 0.184 7.950 ( -7.755 0.000 0.000) 7.755======================= Grid point 113 (63/344) =======================q-point: ( 0.47 0.47 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.465 ( -0.000 0.110 -0.681) 0.690 1.798 ( -0.000 -2.469 -3.870) 4.590 2.030 ( -0.000 1.177 -0.208) 1.195 2.414 ( -0.000 2.639 0.187) 2.645 2.496 ( 0.000 -0.562 2.230) 2.300 4.004 ( -0.000 4.089 0.545) 4.126 5.778 ( -0.000 0.912 -0.513) 1.046 6.120 ( -0.000 0.967 -2.459) 2.643 6.287 ( 0.000 1.509 0.477) 1.583 6.543 ( 0.000 -1.315 2.203) 2.565 6.925 ( -0.000 -2.601 -1.066) 2.811 8.196 ( 0.000 -0.197 -0.049) 0.203======================= Grid point 114 (64/344) =======================q-point: (-0.47 -0.53 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.507 ( 4.778 -0.000 -0.000) 4.778 1.800 ( 2.196 -0.000 -0.000) 2.196 2.030 ( -0.625 0.000 0.000) 0.625 2.489 ( -0.841 0.000 0.000) 0.841 2.500 ( 8.576 -0.000 -0.000) 8.576 4.012 ( -1.560 0.000 0.000) 1.560 5.840 ( 6.669 -0.000 -0.000) 6.669 6.106 ( -1.623 0.000 0.000) 1.623 6.297 ( 0.043 -0.000 -0.000) 0.043 6.550 ( 1.398 -0.000 -0.000) 1.398 6.912 ( 0.152 -0.000 -0.000) 0.152 8.163 ( -3.799 0.000 0.000) 3.799======================= Grid point 245 (65/344) =======================q-point: ( 0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.175 ( 0.000 -0.000 20.770) 20.770 0.175 ( 0.000 -0.000 20.770) 20.770 0.348 ( 0.000 -0.000 41.209) 41.209 1.668 ( -0.000 0.000 -1.694) 1.694 1.668 ( -0.000 0.000 -1.694) 1.694 3.583 ( -0.000 0.000 -5.101) 5.101 5.051 ( 0.000 -0.000 0.584) 0.584 5.051 ( 0.000 -0.000 0.584) 0.584 6.374 ( -0.000 0.000 -0.321) 0.321 6.374 ( -0.000 0.000 -0.321) 0.321 8.181 ( 0.000 -0.000 0.822) 0.822 8.489 ( -0.000 0.000 -0.278) 0.278======================= Grid point 246 (66/344) =======================q-point: ( 0.13 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.353 ( 13.804 7.970 4.227) 16.491 0.422 ( 11.377 6.568 13.763) 19.026 0.919 ( 28.812 16.635 21.300) 39.503 1.687 ( 1.713 0.989 -1.073) 2.250 1.730 ( 6.186 3.571 -3.486) 7.948 3.089 ( -6.289 -3.631 4.087) 8.333 5.081 ( 2.490 1.437 0.782) 2.979 6.330 ( -2.831 -1.635 -1.820) 3.742 6.355 ( -1.521 -0.878 -0.356) 1.791 6.539 ( 28.236 16.302 -47.544) 57.650 8.093 ( -9.593 -5.539 6.185) 12.687 8.348 ( -1.865 -1.077 2.652) 3.416======================= Grid point 247 (67/344) =======================q-point: ( 0.20 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.684 ( 14.970 8.643 -0.789) 17.304 0.731 ( 13.765 7.947 3.251) 16.223 1.536 ( 19.305 11.146 13.585) 26.105 1.740 ( 3.329 1.922 -0.328) 3.858 1.959 ( 17.316 9.998 -3.431) 20.287 3.004 ( -2.590 -1.495 -1.963) 3.577 5.165 ( 4.839 2.794 0.744) 5.637 6.228 ( -5.495 -3.173 -1.160) 6.450 6.309 ( -2.396 -1.383 -0.325) 2.785 6.828 ( 10.703 6.179 -17.205) 21.184 7.866 ( -11.867 -6.851 6.084) 14.993 8.319 ( -1.823 -1.052 -3.143) 3.782======================= Grid point 248 (68/344) =======================q-point: ( 0.27 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.991 ( 12.806 7.393 -2.353) 14.973 1.037 ( 13.696 7.908 -2.826) 16.066 1.825 ( 7.389 4.266 3.529) 9.233 1.838 ( 5.539 3.198 0.452) 6.412 2.446 ( 22.701 13.106 -0.713) 26.222 2.970 ( 0.702 0.405 0.790) 1.132 5.297 ( 6.790 3.920 0.438) 7.853 6.096 ( -5.686 -3.283 -1.909) 6.838 6.255 ( -2.263 -1.307 -0.173) 2.619 6.976 ( 5.834 3.369 -6.658) 9.472 7.608 ( -12.783 -7.380 4.450) 15.417 8.246 ( -3.444 -1.989 -4.694) 6.152======================= Grid point 249 (69/344) =======================q-point: ( 0.33 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.225 ( 8.890 5.133 -2.751) 10.628 1.318 ( 12.835 7.410 -6.034) 16.002 1.948 ( 3.835 2.214 -0.151) 4.431 1.988 ( 7.685 4.437 0.892) 8.918 2.747 ( 3.485 2.012 -2.879) 4.947 3.157 ( 15.701 9.065 5.792) 19.033 5.460 ( 7.689 4.439 -0.072) 8.879 5.984 ( -3.393 -1.959 -2.804) 4.818 6.215 ( -1.223 -0.706 0.142) 1.419 7.047 ( 1.751 1.011 -2.366) 3.112 7.325 ( -13.603 -7.854 2.352) 15.883 8.161 ( -2.651 -1.531 -4.127) 5.138======================= Grid point 250 (70/344) =======================q-point: ( 0.40 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.373 ( 5.312 3.067 -2.352) 6.570 1.571 ( 11.642 6.722 -6.949) 15.133 2.010 ( 2.220 1.282 -1.259) 2.856 2.167 ( 7.869 4.543 0.800) 9.122 2.725 ( -3.758 -2.170 1.618) 4.631 3.524 ( 14.333 8.275 3.037) 16.826 5.624 ( 6.873 3.968 -0.658) 7.963 5.945 ( 0.880 0.508 -3.333) 3.485 6.205 ( 0.212 0.123 0.596) 0.645 7.017 ( -13.200 -7.621 4.950) 16.026 7.051 ( -1.964 -1.134 -5.421) 5.877 8.117 ( -0.457 -0.264 -2.149) 2.213======================= Grid point 251 (71/344) =======================q-point: ( 0.47 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.457 ( 2.905 1.677 -1.636) 3.732 1.791 ( 9.588 5.536 -6.258) 12.718 2.054 ( 2.486 1.436 -1.730) 3.352 2.322 ( 5.632 3.252 0.507) 6.523 2.609 ( -7.197 -4.155 3.893) 9.177 3.783 ( 8.440 4.873 1.530) 9.865 5.749 ( 4.511 2.604 -1.016) 5.307 6.008 ( 5.517 3.185 -3.204) 7.131 6.224 ( 1.074 0.620 0.931) 1.551 6.715 ( -13.479 -7.782 1.261) 15.615 7.011 ( -1.439 -0.831 -1.657) 2.347 8.120 ( 0.710 0.410 -0.453) 0.937======================= Grid point 252 (72/344) =======================q-point: ( 0.53 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.498 ( 1.173 0.677 -0.853) 1.601 1.935 ( 4.036 2.330 -2.998) 5.542 2.134 ( 5.751 3.320 -4.299) 7.911 2.409 ( 1.946 1.123 0.226) 2.258 2.445 ( -8.047 -4.646 4.552) 10.347 3.909 ( 2.653 1.532 1.154) 3.274 5.816 ( 1.720 0.993 -0.819) 2.148 6.164 ( 9.048 5.224 -2.791) 10.814 6.246 ( 0.430 0.248 0.802) 0.943 6.443 ( -11.200 -6.466 2.192) 13.117 6.986 ( -0.367 -0.212 -0.903) 0.998 8.135 ( 0.475 0.274 0.394) 0.675======================= Grid point 253 (73/344) =======================q-point: (-0.40 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.505 ( -0.345 -0.199 0.029) 0.399 1.961 ( -0.957 -0.552 0.333) 1.154 2.192 ( -3.608 -2.083 0.881) 4.259 2.371 ( 4.502 2.599 -2.668) 5.843 2.406 ( -2.212 -1.277 -0.066) 2.555 3.907 ( -3.112 -1.797 1.015) 3.734 5.821 ( -1.095 -0.632 -0.174) 1.276 6.212 ( -7.871 -4.545 2.551) 9.440 6.241 ( -0.987 -0.570 0.257) 1.168 6.408 ( 11.050 6.380 -1.606) 12.861 6.993 ( 1.175 0.678 -0.102) 1.360 8.140 ( -0.107 -0.062 1.002) 1.009======================= Grid point 254 (74/344) =======================q-point: (-0.33 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.482 ( -1.992 -1.150 1.177) 2.584 1.886 ( -6.704 -3.871 4.415) 8.912 2.093 ( -3.878 -2.239 2.856) 5.312 2.313 ( -5.974 -3.449 -0.493) 6.916 2.521 ( 8.206 4.738 -6.125) 11.283 3.771 ( -9.528 -5.501 0.212) 11.004 5.763 ( -4.299 -2.482 0.482) 4.987 6.071 ( -5.248 -3.030 4.055) 7.291 6.212 ( -1.275 -0.736 -0.339) 1.510 6.669 ( 12.399 7.159 -3.831) 14.821 7.039 ( 2.831 1.634 1.302) 3.518 8.142 ( 0.144 0.083 2.064) 2.071======================= Grid point 255 (75/344) =======================q-point: (-0.27 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.419 ( -4.326 -2.498 2.837) 5.745 1.705 ( -10.752 -6.208 8.094) 14.821 2.029 ( -3.131 -1.808 1.059) 3.768 2.149 ( -8.280 -4.780 -1.229) 9.639 2.675 ( 6.874 3.969 -4.239) 8.999 3.482 ( -16.396 -9.466 -1.562) 18.997 5.636 ( -7.120 -4.111 0.686) 8.250 6.009 ( -1.341 -0.774 3.901) 4.197 6.194 ( -0.036 -0.021 -0.575) 0.576 6.901 ( 8.899 5.138 -7.642) 12.806 7.137 ( 6.036 3.485 3.854) 7.964 8.168 ( 1.654 0.955 3.493) 3.981======================= Grid point 256 (76/344) =======================q-point: (-0.20 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.295 ( -8.204 -4.737 5.120) 10.769 1.462 ( -13.503 -7.796 9.914) 18.477 1.935 ( -5.757 -3.324 -1.419) 6.798 1.960 ( -7.822 -4.516 -2.289) 9.317 2.791 ( 2.568 1.483 1.488) 3.318 3.053 ( -19.754 -11.405 -5.509) 23.465 5.465 ( -8.088 -4.669 0.486) 9.351 6.032 ( 2.497 1.442 2.693) 3.945 6.209 ( 1.488 0.859 -0.488) 1.786 6.998 ( 2.280 1.316 -7.098) 7.570 7.335 ( 10.264 5.926 2.604) 12.135 8.235 ( 3.191 1.842 4.116) 5.525======================= Grid point 257 (77/344) =======================q-point: (-0.13 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.078 ( -12.934 -7.467 7.405) 16.670 1.164 ( -15.953 -9.211 10.616) 21.261 1.745 ( -11.434 -6.602 -4.714) 14.020 1.809 ( -5.006 -2.890 -2.945) 6.487 2.468 ( -24.310 -14.036 1.319) 28.102 2.937 ( 3.878 2.239 -2.821) 5.293 5.295 ( -7.121 -4.112 0.232) 8.226 6.123 ( 4.850 2.800 1.165) 5.720 6.254 ( 2.467 1.424 -0.348) 2.869 6.990 ( -1.010 -0.583 -5.164) 5.294 7.579 ( 10.983 6.341 1.226) 12.741 8.316 ( 2.837 1.638 3.161) 4.552======================= Grid point 258 (78/344) =======================q-point: (-0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.778 ( -15.893 -9.176 9.466) 20.649 0.822 ( -17.503 -10.105 11.142) 23.079 1.348 ( -23.720 -13.695 -6.297) 28.104 1.720 ( -2.469 -1.425 -2.756) 3.965 2.003 ( -16.136 -9.316 1.466) 18.689 3.010 ( 2.901 1.675 -0.913) 3.472 5.160 ( -5.006 -2.890 0.154) 5.782 6.238 ( 5.063 2.923 -0.062) 5.846 6.310 ( 2.518 1.454 -0.273) 2.920 6.933 ( -2.683 -1.549 -7.202) 7.840 7.823 ( 10.559 6.096 2.050) 12.363 8.361 ( 0.367 0.212 1.443) 1.504======================= Grid point 261 (79/344) =======================q-point: ( 0.13 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.522 ( -0.000 22.519 5.493) 23.179 0.567 ( 0.000 17.191 15.699) 23.281 0.856 ( 0.000 23.915 25.631) 35.055 1.651 ( -0.000 0.482 -3.999) 4.028 1.751 ( -0.000 8.752 -1.742) 8.924 3.101 ( 0.000 -9.411 3.490) 10.037 5.082 ( -0.000 2.836 0.815) 2.951 6.292 ( -0.000 8.610 -16.970) 19.029 6.353 ( -0.000 -1.852 -0.542) 1.930 6.425 ( -0.000 26.608 -31.780) 41.448 8.108 ( 0.000 -10.326 5.093) 11.513 8.369 ( 0.000 -2.235 2.669) 3.481======================= Grid point 262 (80/344) =======================q-point: ( 0.20 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.688 ( -2.933 16.033 15.425) 22.440 0.784 ( 3.669 22.271 0.834) 22.586 1.374 ( 19.610 17.387 16.765) 31.111 1.683 ( 4.034 1.121 -3.840) 5.681 1.889 ( 5.369 14.699 -2.386) 15.830 3.011 ( -1.987 -4.159 -2.499) 5.243 5.140 ( 2.509 4.230 0.945) 5.008 6.256 ( -2.535 -4.586 -1.525) 5.458 6.320 ( -1.026 -2.174 -0.571) 2.470 6.670 ( 10.105 14.119 -24.359) 29.914 7.954 ( -6.589 -11.609 6.272) 14.749 8.342 ( -2.195 -0.105 -1.686) 2.770======================= Grid point 263 (81/344) =======================q-point: ( 0.27 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.883 ( 5.095 12.000 8.873) 15.770 1.056 ( 4.803 19.713 -2.832) 20.486 1.738 ( 8.034 4.013 2.592) 9.347 1.795 ( 6.388 5.533 2.014) 8.688 2.261 ( 17.533 20.511 -0.155) 26.984 2.954 ( 0.144 -1.967 -2.250) 2.992 5.250 ( 4.632 5.629 0.897) 7.345 6.142 ( -4.798 -4.683 -1.536) 6.878 6.278 ( -1.692 -1.430 -0.433) 2.257 6.864 ( 8.441 5.181 -11.889) 15.473 7.726 ( -9.644 -10.700 5.562) 15.441 8.276 ( -3.797 -1.441 -3.884) 5.619======================= Grid point 264 (82/344) =======================q-point: ( 0.33 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.108 ( 7.818 8.156 3.208) 11.744 1.298 ( 4.851 16.147 -4.869) 17.549 1.880 ( 6.200 2.358 -0.914) 6.696 1.950 ( 4.788 6.830 1.493) 8.474 2.675 ( 9.484 9.263 -3.757) 13.779 3.034 ( 10.273 6.527 4.537) 12.990 5.402 ( 6.004 6.799 0.608) 9.091 6.017 ( -4.361 -3.442 -2.198) 5.975 6.241 ( -1.718 0.122 -0.338) 1.755 6.983 ( 5.361 0.803 -6.158) 8.204 7.464 ( -11.686 -9.791 4.366) 15.858 8.180 ( -3.634 -2.300 -4.153) 5.978======================= Grid point 265 (83/344) =======================q-point: ( 0.40 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.301 ( 6.559 5.530 0.221) 8.582 1.504 ( 5.568 12.456 -5.616) 14.754 1.970 ( 3.404 0.788 -1.398) 3.763 2.119 ( 6.001 8.487 0.941) 10.437 2.750 ( -0.529 -0.348 -0.951) 1.143 3.380 ( 14.815 10.804 3.783) 18.722 5.572 ( 5.890 7.285 0.106) 9.369 5.937 ( -1.318 -1.171 -2.674) 3.204 6.225 ( -1.091 1.773 -0.113) 2.085 7.022 ( 1.738 -1.792 -5.146) 5.720 7.178 ( -13.208 -8.540 3.909) 16.207 8.107 ( -1.016 -2.207 -2.657) 3.601======================= Grid point 266 (84/344) =======================q-point: ( 0.47 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.429 ( 3.354 4.320 -0.781) 5.525 1.697 ( 7.103 8.908 -5.498) 12.650 2.017 ( 2.566 0.334 -1.459) 2.971 2.294 ( 4.667 7.814 0.929) 9.148 2.693 ( -4.945 -1.750 1.845) 5.561 3.686 ( 10.365 6.835 1.971) 12.571 5.724 ( 3.988 6.829 -0.471) 7.922 5.946 ( 3.250 1.334 -2.627) 4.387 6.237 ( -0.299 2.762 0.213) 2.786 6.869 ( -12.845 -7.504 -0.920) 14.905 7.015 ( -1.175 -1.767 -0.399) 2.159 8.089 ( 1.550 -2.017 -0.792) 2.665======================= Grid point 267 (85/344) =======================q-point: ( 0.53 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.498 ( 0.884 3.495 -0.819) 3.697 1.865 ( 6.119 4.711 -4.466) 8.921 2.067 ( 3.753 1.180 -2.255) 4.535 2.409 ( 1.245 3.734 1.498) 4.211 2.578 ( -8.000 0.899 2.192) 8.343 3.865 ( 5.327 2.636 1.445) 6.116 5.826 ( 1.082 5.779 -0.739) 5.926 6.049 ( 7.301 2.445 -2.104) 7.982 6.263 ( -0.013 3.010 0.214) 3.017 6.593 ( -12.434 -5.212 1.126) 13.529 6.985 ( -0.490 -0.890 -1.176) 1.554 8.103 ( 2.267 -2.212 0.293) 3.181======================= Grid point 268 (86/344) =======================q-point: (-0.40 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.525 ( -0.827 2.503 -0.384) 2.664 1.946 ( 2.068 0.191 -1.497) 2.560 2.149 ( 4.620 0.321 -4.061) 6.159 2.383 ( -3.657 -2.278 2.996) 5.247 2.514 ( -5.905 8.303 -0.135) 10.189 3.924 ( 0.174 -0.769 1.485) 1.681 5.866 ( -1.937 4.310 -0.453) 4.747 6.166 ( 3.976 -3.175 -0.447) 5.108 6.319 ( 2.835 5.933 -1.722) 6.797 6.387 ( -7.663 -0.058 3.072) 8.256 6.979 ( 0.677 -0.023 -0.754) 1.014 8.116 ( 1.811 -2.560 0.853) 3.249======================= Grid point 269 (87/344) =======================q-point: (-0.33 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.516 ( -2.264 1.039 0.403) 2.524 1.938 ( -1.995 -2.069 1.198) 3.114 2.133 ( -2.750 -3.824 1.238) 4.870 2.361 ( -0.480 -0.443 -1.344) 1.494 2.507 ( -2.884 9.227 -2.607) 10.013 3.861 ( -5.948 -3.584 1.150) 7.039 5.839 ( -4.951 2.036 0.170) 5.356 6.109 ( -3.079 -5.643 2.111) 6.766 6.275 ( -4.903 2.404 1.115) 5.574 6.541 ( 10.427 8.111 -2.553) 13.454 7.005 ( 2.398 0.386 0.159) 2.434 8.121 ( 1.602 -2.519 1.566) 3.371======================= Grid point 270 (88/344) =======================q-point: (-0.27 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.469 ( -3.823 -1.434 1.765) 4.449 1.841 ( -7.452 -3.043 4.624) 9.283 2.061 ( -2.635 -2.462 1.618) 3.953 2.266 ( -8.591 -1.129 -0.744) 8.697 2.602 ( 4.839 6.442 -4.829) 9.393 3.657 ( -13.387 -6.137 0.051) 14.727 5.740 ( -7.880 -0.628 0.591) 7.927 6.027 ( -1.837 -3.314 3.091) 4.890 6.235 ( -3.275 2.836 0.200) 4.337 6.781 ( 10.045 7.088 -5.775) 13.582 7.072 ( 5.025 0.588 2.179) 5.509 8.139 ( 2.529 -1.651 2.597) 3.983======================= Grid point 271 (89/344) =======================q-point: (-0.20 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.362 ( -6.347 -5.516 4.064) 9.340 1.676 ( -11.565 -1.260 6.532) 13.342 1.986 ( -4.245 -2.803 -0.587) 5.121 2.084 ( -10.800 -1.446 -0.949) 10.938 2.734 ( 5.982 4.002 -2.745) 7.703 3.298 ( -21.026 -8.189 -1.496) 22.614 5.579 ( -9.487 -2.336 0.603) 9.789 6.011 ( 1.371 -0.864 2.501) 2.980 6.223 ( -1.359 2.763 -0.194) 3.086 6.940 ( 4.683 3.681 -7.861) 9.863 7.214 ( 9.800 2.177 3.438) 10.611 8.193 ( 4.042 -0.347 3.135) 5.127======================= Grid point 272 (90/344) =======================q-point: (-0.13 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.165 ( -10.361 -9.869 6.667) 15.786 1.467 ( -15.730 0.658 6.447) 17.013 1.847 ( -8.167 -3.621 -3.075) 9.448 1.901 ( -9.066 -0.898 -1.079) 9.174 2.792 ( -22.739 -5.724 4.303) 23.839 2.874 ( 1.447 -0.265 -6.900) 7.055 5.399 ( -9.138 -2.498 0.452) 9.484 6.065 ( 4.377 0.699 1.164) 4.582 6.241 ( 0.685 2.067 -0.290) 2.197 6.980 ( 0.431 1.151 -6.351) 6.468 7.435 ( 12.099 2.967 2.210) 12.652 8.274 ( 4.406 0.195 2.254) 4.953======================= Grid point 273 (91/344) =======================q-point: (-0.07 0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.880 ( -13.742 -11.072 8.451) 19.567 1.188 ( -19.878 -0.946 3.503) 20.206 1.614 ( -16.666 -2.468 -0.108) 16.849 1.771 ( -5.487 0.381 -2.293) 5.959 2.281 ( -25.690 -5.584 0.223) 26.291 2.959 ( 4.350 1.252 -1.621) 4.808 5.242 ( -7.353 -1.500 0.385) 7.514 6.164 ( 5.925 0.924 -0.053) 5.997 6.280 ( 2.141 1.054 -0.287) 2.404 6.953 ( -2.534 0.648 -6.973) 7.447 7.673 ( 12.605 2.161 2.580) 13.046 8.339 ( 2.745 -0.433 0.322) 2.798======================= Grid point 277 (92/344) =======================q-point: ( 0.20 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.966 ( -0.000 20.635 4.557) 21.132 0.971 ( 0.000 16.111 12.751) 20.547 1.419 ( 0.000 20.561 14.899) 25.391 1.646 ( -0.000 2.204 -6.073) 6.460 2.004 ( -0.000 19.361 -1.209) 19.399 2.971 ( -0.000 -5.037 -4.045) 6.460 5.170 ( -0.000 5.766 0.931) 5.841 6.226 ( -0.000 -4.709 -1.372) 4.905 6.301 ( 0.000 -2.965 -0.675) 3.041 6.664 ( -0.000 13.312 -20.163) 24.161 7.899 ( 0.000 -13.651 5.482) 14.710 8.357 ( -0.000 -0.448 -1.882) 1.935======================= Grid point 278 (93/344) =======================q-point: ( 0.27 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.074 ( -5.191 14.781 13.363) 20.591 1.197 ( 1.597 19.965 -0.714) 20.042 1.673 ( 4.780 5.365 0.059) 7.185 1.741 ( 8.254 8.982 3.689) 12.744 2.273 ( 7.426 24.629 -0.846) 25.738 2.915 ( 0.351 -3.585 -3.669) 5.142 5.255 ( 2.468 7.134 1.040) 7.621 6.153 ( -2.691 -5.003 -1.012) 5.771 6.272 ( 0.028 -2.388 -0.590) 2.460 6.766 ( 5.252 6.684 -13.260) 15.751 7.743 ( -4.514 -13.248 4.927) 14.838 8.315 ( -3.152 -1.294 -2.948) 4.505======================= Grid point 279 (94/344) =======================q-point: ( 0.33 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.181 ( -1.291 12.063 9.447) 15.376 1.396 ( 1.658 17.136 -3.743) 17.618 1.801 ( 6.017 4.134 -1.907) 7.545 1.943 ( 5.413 7.570 2.416) 9.614 2.626 ( 7.833 14.296 -4.853) 17.008 2.956 ( 7.303 5.613 3.136) 9.730 5.392 ( 4.453 8.449 1.180) 9.624 6.046 ( -4.065 -3.976 -1.568) 5.898 6.256 ( -0.081 -0.461 -0.693) 0.837 6.870 ( 6.074 1.024 -8.117) 10.189 7.534 ( -7.506 -11.876 4.400) 14.722 8.219 ( -4.862 -2.236 -3.589) 6.443======================= Grid point 280 (95/344) =======================q-point: ( 0.40 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.310 ( 1.826 9.230 5.377) 10.837 1.560 ( 1.804 13.612 -4.775) 14.537 1.912 ( 4.062 1.599 -1.482) 4.610 2.119 ( 5.570 9.928 1.180) 11.445 2.734 ( 1.841 0.814 -3.240) 3.814 3.272 ( 13.143 13.775 3.816) 19.417 5.563 ( 5.204 9.318 1.114) 10.731 5.951 ( -2.913 -1.928 -2.002) 4.026 6.257 ( -0.274 1.930 -1.027) 2.204 6.932 ( 4.353 -2.547 -5.955) 7.804 7.297 ( -9.787 -9.775 4.072) 14.419 8.110 ( -3.597 -2.841 -3.067) 5.515======================= Grid point 281 (96/344) =======================q-point: ( 0.47 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.438 ( 2.289 7.353 2.706) 8.162 1.698 ( 2.767 10.371 -4.293) 11.561 1.967 ( 2.849 -0.092 -1.558) 3.249 2.308 ( 4.560 9.510 1.553) 10.660 2.741 ( -0.982 0.734 -0.232) 1.247 3.591 ( 10.389 9.012 1.803) 13.870 5.735 ( 4.164 9.085 0.748) 10.022 5.916 ( 0.520 0.564 -1.913) 2.062 6.276 ( -0.410 3.562 -1.282) 3.808 6.919 ( -1.048 -4.957 -5.771) 7.680 7.067 ( -8.499 -5.551 4.263) 11.010 8.042 ( -0.103 -3.366 -1.594) 3.726======================= Grid point 282 (97/344) =======================q-point: ( 0.53 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.533 ( 0.534 6.191 0.935) 6.284 1.825 ( 3.600 6.506 -3.219) 8.103 2.010 ( 3.272 -0.043 -1.553) 3.622 2.431 ( 1.239 3.410 2.341) 4.318 2.726 ( -4.505 6.657 0.090) 8.039 3.795 ( 6.729 3.337 1.116) 7.593 5.868 ( 1.955 7.606 0.293) 7.859 5.969 ( 4.270 2.399 -1.402) 5.094 6.300 ( -0.451 3.654 -1.433) 3.951 6.743 ( -10.439 -4.467 -0.509) 11.366 6.982 ( -0.850 -1.324 -0.113) 1.578 8.028 ( 2.628 -4.021 -0.295) 4.813======================= Grid point 283 (98/344) =======================q-point: ( 0.60 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.580 ( -1.448 5.130 0.245) 5.336 1.907 ( 2.415 1.601 -1.939) 3.487 2.071 ( 4.073 0.365 -2.566) 4.828 2.423 ( -2.591 -2.186 2.806) 4.401 2.729 ( -6.876 12.836 -0.526) 14.571 3.892 ( 3.244 -0.868 1.323) 3.610 5.946 ( -0.972 6.290 0.171) 6.367 6.068 ( 5.167 0.147 -0.642) 5.209 6.328 ( 0.918 3.389 -2.026) 4.054 6.551 ( -9.904 0.859 2.145) 10.170 6.970 ( 0.075 -0.069 -0.983) 0.989 8.039 ( 3.355 -4.555 0.432) 5.674======================= Grid point 284 (99/344) =======================q-point: (-0.33 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.584 ( -3.204 3.515 0.327) 4.767 1.932 ( 0.675 -0.950 -0.395) 1.230 2.105 ( 1.463 -2.631 -2.190) 3.723 2.372 ( -1.697 -0.396 1.273) 2.158 2.719 ( -8.871 12.465 -0.934) 15.328 3.894 ( -1.236 -3.166 1.427) 3.686 5.951 ( -4.320 3.760 0.420) 5.742 6.092 ( -0.312 -3.815 0.585) 3.872 6.375 ( -0.968 1.975 -1.063) 2.443 6.501 ( 0.765 8.770 0.843) 8.844 6.975 ( 1.060 -0.097 -0.691) 1.269 8.051 ( 3.164 -4.538 0.962) 5.615======================= Grid point 285 (100/344) =======================q-point: (-0.27 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.541 ( -4.877 0.828 1.000) 5.046 1.907 ( -2.457 -1.696 1.266) 3.243 2.070 ( -1.113 -3.056 0.017) 3.252 2.352 ( -2.201 0.047 -0.521) 2.262 2.682 ( -6.794 9.511 -1.994) 11.858 3.790 ( -7.829 -4.158 0.886) 8.909 5.878 ( -7.559 1.305 0.744) 7.706 6.028 ( -1.977 -3.818 1.400) 4.521 6.344 ( -4.803 3.941 0.558) 6.238 6.680 ( 8.660 8.051 -3.287) 12.273 7.004 ( 3.175 -0.962 0.648) 3.380 8.069 ( 3.521 -3.611 1.499) 5.262======================= Grid point 286 (101/344) =======================q-point: (-0.20 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.442 ( -6.778 -2.411 2.351) 7.568 1.826 ( -6.264 -0.788 2.476) 6.781 2.017 ( -2.509 -2.210 -0.618) 3.401 2.256 ( -9.342 0.043 0.233) 9.345 2.698 ( 1.143 5.190 -2.536) 5.888 3.552 ( -16.109 -4.361 0.148) 16.690 5.734 ( -10.190 -0.499 0.703) 10.226 5.987 ( 0.258 -2.113 1.300) 2.494 6.303 ( -4.324 3.409 0.143) 5.508 6.873 ( 6.660 6.110 -6.439) 11.097 7.081 ( 7.553 -1.323 3.270) 8.336 8.113 ( 4.718 -2.089 1.576) 5.395======================= Grid point 287 (102/344) =======================q-point: (-0.13 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.280 ( -9.732 -4.463 3.715) 11.333 1.693 ( -10.204 -0.642 1.450) 10.327 1.931 ( -5.376 -1.232 -2.032) 5.877 2.074 ( -11.698 0.095 1.010) 11.742 2.785 ( 5.030 2.195 -2.196) 5.911 3.180 ( -23.908 -3.024 0.619) 24.107 5.551 ( -10.737 -0.977 0.604) 10.798 6.004 ( 3.031 -0.742 0.282) 3.133 6.272 ( -2.233 1.683 -0.183) 2.802 6.965 ( 1.846 3.083 -5.324) 6.423 7.253 ( 12.098 -0.057 2.771) 12.411 8.189 ( 5.515 -1.126 0.511) 5.652======================= Grid point 288 (103/344) =======================q-point: (-0.07 0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.060 ( -13.198 -3.294 4.093) 14.205 1.460 ( -15.738 -3.505 -2.770) 16.359 1.816 ( -8.151 1.830 0.211) 8.356 1.902 ( -9.484 0.663 1.404) 9.610 2.704 ( -25.320 -1.281 -3.423) 25.583 2.902 ( 1.886 2.356 2.576) 3.968 5.376 ( -9.473 -0.156 0.524) 9.488 6.068 ( 5.296 -0.602 -0.763) 5.384 6.263 ( 0.309 0.075 -0.221) 0.387 6.983 ( -1.051 2.433 -4.213) 4.977 7.471 ( 13.229 -0.675 2.476) 13.476 8.264 ( 4.785 -1.336 -1.501) 5.190======================= Grid point 293 (104/344) =======================q-point: ( 0.27 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.295 ( 0.000 10.091 8.333) 13.086 1.355 ( -0.000 17.674 2.409) 17.838 1.694 ( -0.000 7.436 -5.683) 9.359 1.772 ( 0.000 10.566 7.484) 12.948 2.453 ( -0.000 24.871 -2.723) 25.019 2.868 ( -0.000 -2.193 -1.936) 2.925 5.310 ( -0.000 8.224 0.819) 8.265 6.131 ( 0.000 -4.222 -0.477) 4.249 6.239 ( 0.000 -2.868 -0.618) 2.934 6.746 ( -0.000 4.643 -10.933) 11.878 7.660 ( 0.000 -13.860 3.900) 14.399 8.322 ( -0.000 -1.708 -2.723) 3.214======================= Grid point 294 (105/344) =======================q-point: ( 0.33 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.354 ( -3.046 7.588 6.125) 10.216 1.529 ( 0.674 15.205 -1.077) 15.258 1.781 ( 1.994 8.688 -1.715) 9.078 1.930 ( 5.404 7.653 2.535) 9.706 2.645 ( 2.349 8.071 -7.721) 11.414 2.945 ( 5.002 13.687 5.163) 15.460 5.419 ( 2.768 9.104 0.876) 9.556 6.067 ( -2.911 -3.169 -0.973) 4.412 6.229 ( 1.554 -1.523 -0.579) 2.252 6.776 ( 3.266 0.673 -7.653) 8.348 7.512 ( -3.170 -13.052 3.169) 13.800 8.264 ( -3.649 -2.094 -2.865) 5.090======================= Grid point 295 (106/344) =======================q-point: ( 0.40 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.406 ( -0.556 6.931 4.737) 8.413 1.661 ( 0.094 12.584 -3.563) 13.079 1.878 ( 2.030 3.828 -0.639) 4.379 2.117 ( 6.643 9.892 0.822) 11.944 2.686 ( 2.768 -0.863 -3.889) 4.851 3.251 ( 8.597 18.208 3.760) 20.483 5.577 ( 4.737 9.819 1.178) 10.965 5.984 ( -3.518 -1.441 -1.540) 4.102 6.254 ( 1.936 0.803 -1.237) 2.434 6.813 ( 4.345 -2.820 -5.192) 7.334 7.331 ( -5.364 -11.212 2.789) 12.738 8.156 ( -5.467 -2.328 -2.808) 6.572======================= Grid point 296 (107/344) =======================q-point: ( 0.47 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.495 ( 1.406 7.000 4.064) 8.216 1.761 ( 0.441 9.888 -3.833) 10.614 1.923 ( 1.784 0.336 -1.212) 2.182 2.322 ( 5.290 9.189 1.822) 10.758 2.729 ( 3.561 1.060 -1.026) 3.855 3.544 ( 7.438 12.171 1.548) 14.347 5.757 ( 4.683 9.633 1.323) 10.792 5.929 ( -1.764 0.787 -1.478) 2.432 6.295 ( 1.369 2.570 -2.330) 3.729 6.833 ( 3.548 -4.135 -3.851) 6.672 7.143 ( -6.588 -8.172 2.762) 10.854 8.040 ( -4.150 -2.768 -2.199) 5.451======================= Grid point 297 (108/344) =======================q-point: ( 0.53 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.595 ( 0.909 7.005 2.824) 7.608 1.846 ( 0.958 6.781 -2.147) 7.177 1.951 ( 2.702 -0.596 -1.440) 3.119 2.442 ( 1.437 2.189 2.487) 3.612 2.828 ( 2.389 9.344 -0.458) 9.656 3.730 ( 5.084 4.603 0.436) 6.872 5.900 ( 2.249 6.243 0.789) 6.683 5.949 ( 2.017 4.368 -0.531) 4.840 6.325 ( 0.317 2.083 -3.161) 3.799 6.816 ( -1.802 -2.257 -2.006) 3.517 6.998 ( -3.610 -3.674 1.994) 5.524 7.963 ( -0.604 -3.883 -1.225) 4.116======================= Grid point 298 (109/344) =======================q-point: ( 0.60 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.665 ( -1.175 6.662 1.438) 6.916 1.897 ( 0.538 2.074 -0.875) 2.314 2.002 ( 3.792 0.002 -1.546) 4.095 2.443 ( -1.353 -1.904 2.171) 3.189 2.952 ( -2.672 15.230 -0.543) 15.472 3.816 ( 3.965 -1.874 0.544) 4.419 5.990 ( 3.203 4.127 0.762) 5.279 6.025 ( 0.752 3.854 -0.114) 3.928 6.328 ( 0.327 -0.061 -3.202) 3.219 6.728 ( -7.617 3.153 1.312) 8.348 6.966 ( 0.250 -0.239 -0.441) 0.561 7.936 ( 2.601 -5.173 -0.345) 5.800======================= Grid point 299 (110/344) =======================q-point: (-0.33 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.688 ( -3.592 5.481 0.889) 6.613 1.911 ( 0.642 -0.189 -0.511) 0.842 2.043 ( 2.485 -2.088 -1.721) 3.674 2.401 ( -1.895 -1.102 1.518) 2.667 3.002 ( -8.839 14.947 -0.730) 17.381 3.843 ( 3.124 -4.800 1.017) 5.817 6.033 ( -1.974 0.487 0.087) 2.035 6.070 ( 1.073 2.253 1.153) 2.749 6.340 ( 3.116 -0.267 -2.800) 4.198 6.667 ( -6.796 8.771 2.209) 11.314 6.965 ( -0.166 -0.094 -1.199) 1.214 7.942 ( 4.057 -5.415 0.259) 6.771======================= Grid point 300 (111/344) =======================q-point: (-0.27 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.651 ( -5.917 2.669 0.881) 6.550 1.913 ( 0.027 -0.714 0.030) 0.715 2.040 ( 0.935 -2.778 -1.259) 3.190 2.376 ( -1.088 0.172 0.719) 1.316 2.942 ( -12.179 10.146 -0.772) 15.870 3.827 ( -0.790 -4.055 0.849) 4.217 5.984 ( -3.531 -0.757 0.695) 3.678 6.052 ( -3.942 -0.507 0.697) 4.036 6.403 ( 2.656 1.637 -1.688) 3.547 6.689 ( -1.380 9.694 0.617) 9.811 6.956 ( 0.905 -1.902 -0.613) 2.194 7.967 ( 4.408 -4.161 0.526) 6.084======================= Grid point 301 (112/344) =======================q-point: (-0.20 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.553 ( -7.401 -0.286 1.287) 7.517 1.892 ( -2.247 -0.532 0.549) 2.373 2.021 ( -0.466 -1.421 -1.468) 2.095 2.357 ( -2.633 0.251 0.961) 2.814 2.817 ( -9.743 4.608 -0.775) 10.805 3.727 ( -8.208 -2.211 0.357) 8.508 5.892 ( -8.073 -0.150 0.698) 8.104 5.980 ( -2.052 -1.576 0.276) 2.602 6.406 ( -3.761 1.936 -0.802) 4.305 6.810 ( 5.937 6.887 -2.763) 9.503 6.969 ( 3.806 -3.204 1.715) 5.262 8.014 ( 4.854 -2.205 0.239) 5.337======================= Grid point 302 (113/344) =======================q-point: (-0.13 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.415 ( -8.676 -1.216 1.549) 8.897 1.817 ( -6.225 -1.310 -0.645) 6.394 1.985 ( -2.415 0.164 -2.219) 3.284 2.265 ( -9.423 0.148 1.712) 9.578 2.752 ( -0.526 1.004 -0.510) 1.243 3.510 ( -16.599 0.124 0.707) 16.615 5.729 ( -10.816 -0.312 0.557) 10.835 5.962 ( 0.841 -0.680 -0.685) 1.280 6.337 ( -4.499 -0.164 -0.736) 4.562 6.948 ( 3.251 4.922 -4.274) 7.284 7.055 ( 10.502 -3.470 3.665) 11.652 8.085 ( 5.378 -0.887 -0.869) 5.520======================= Grid point 303 (114/344) =======================q-point: (-0.07 0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.254 ( -10.510 0.641 0.908) 10.569 1.641 ( -11.664 -3.319 -4.398) 12.900 1.936 ( -4.201 2.259 -1.134) 4.903 2.088 ( -11.386 0.226 2.088) 11.578 2.783 ( 2.603 -0.709 -2.087) 3.411 3.207 ( -21.741 4.205 3.406) 22.404 5.549 ( -10.665 0.487 0.426) 10.685 5.985 ( 3.076 -0.681 -1.788) 3.622 6.270 ( -2.019 -1.606 -0.422) 2.614 7.004 ( 0.761 2.797 -1.529) 3.277 7.239 ( 13.250 -2.862 1.804) 13.675 8.161 ( 5.128 -0.924 -2.622) 5.833======================= Grid point 309 (115/344) =======================q-point: ( 0.33 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.427 ( -0.000 2.481 0.489) 2.529 1.660 ( -0.000 13.211 -0.166) 13.212 1.886 ( -0.000 13.070 -0.604) 13.084 1.937 ( -0.000 4.309 0.573) 4.347 2.633 ( -0.000 -1.266 -5.712) 5.851 3.100 ( -0.000 22.320 5.304) 22.941 5.483 ( -0.000 8.982 0.279) 8.987 6.069 ( -0.000 -1.617 -1.229) 2.031 6.194 ( 0.000 -1.347 -0.189) 1.361 6.731 ( -0.000 -1.008 -5.577) 5.667 7.418 ( 0.000 -12.883 1.936) 13.028 8.270 ( -0.000 -2.008 -2.424) 3.147======================= Grid point 310 (116/344) =======================q-point: ( 0.40 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.452 ( 0.965 2.356 -0.140) 2.549 1.768 ( -0.426 10.648 -2.430) 10.930 1.919 ( -2.064 3.616 -1.250) 4.348 2.096 ( 7.101 10.216 -0.264) 12.444 2.616 ( 1.961 -3.019 -1.113) 3.768 3.356 ( 3.201 20.849 3.560) 21.391 5.598 ( 3.590 8.748 0.205) 9.458 6.027 ( -2.942 -0.118 -1.896) 3.502 6.213 ( 2.632 0.292 -0.494) 2.694 6.718 ( 2.113 -3.111 -3.192) 4.933 7.286 ( -2.058 -11.593 1.105) 11.826 8.211 ( -3.881 -1.763 -2.185) 4.790======================= Grid point 311 (117/344) =======================q-point: ( 0.47 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.516 ( 3.214 3.532 1.219) 4.929 1.838 ( -0.451 8.033 -4.719) 9.327 1.915 ( -0.357 0.637 -0.485) 0.877 2.316 ( 6.616 9.287 1.227) 11.468 2.646 ( 5.190 -1.511 0.634) 5.442 3.594 ( 3.112 15.096 1.676) 15.504 5.763 ( 5.627 8.511 0.557) 10.218 5.977 ( -2.920 1.613 -1.830) 3.805 6.269 ( 2.944 1.477 -1.900) 3.803 6.722 ( 3.550 -4.156 -1.296) 5.618 7.143 ( -3.161 -9.261 0.761) 9.815 8.105 ( -6.037 -1.493 -1.935) 6.513======================= Grid point 312 (118/344) =======================q-point: ( 0.53 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.623 ( 3.850 4.690 2.128) 6.430 1.892 ( 1.066 5.046 -4.028) 6.544 1.916 ( -0.225 0.364 0.502) 0.660 2.444 ( 1.344 1.999 2.500) 3.471 2.799 ( 10.085 6.399 -0.036) 11.944 3.741 ( 0.779 7.701 0.249) 7.744 5.922 ( 3.077 6.255 0.556) 6.993 5.969 ( 0.375 4.275 -0.774) 4.360 6.311 ( 1.453 0.386 -3.305) 3.631 6.759 ( 4.838 -2.023 -0.125) 5.246 7.017 ( -3.139 -5.886 0.892) 6.730 7.985 ( -5.547 -1.833 -1.554) 6.046======================= Grid point 313 (119/344) =======================q-point: ( 0.60 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.729 ( 1.986 5.574 1.555) 6.118 1.914 ( -0.409 0.061 0.234) 0.475 1.947 ( 2.161 1.840 -1.553) 3.235 2.449 ( -0.845 -1.459 1.765) 2.441 3.051 ( 8.046 12.310 -0.022) 14.706 3.770 ( -1.113 -0.325 -0.261) 1.189 5.985 ( 1.393 3.777 0.423) 4.048 6.055 ( 1.586 4.878 0.257) 5.136 6.302 ( 0.037 -2.314 -3.292) 4.024 6.826 ( 1.242 3.045 0.331) 3.305 6.948 ( 0.008 -2.206 0.790) 2.343 7.887 ( -2.627 -3.212 -1.011) 4.271======================= Grid point 314 (120/344) =======================q-point: ( 0.67 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.796 ( -1.498 6.111 1.038) 6.377 1.907 ( -0.316 -0.182 -0.039) 0.367 1.977 ( 2.109 -2.307 -0.778) 3.221 2.419 ( -1.258 -1.169 0.925) 1.951 3.254 ( -1.611 15.747 -0.248) 15.831 3.726 ( 2.040 -7.651 0.175) 7.920 6.037 ( 0.531 0.908 0.416) 1.132 6.108 ( 0.073 4.374 1.014) 4.491 6.273 ( 1.715 -3.166 -2.765) 4.540 6.843 ( -3.705 6.168 1.643) 7.380 6.963 ( 0.713 0.106 -0.868) 1.128 7.839 ( 1.584 -4.227 -0.372) 4.529======================= Grid point 315 (121/344) =======================q-point: (-0.27 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.783 ( -5.949 3.047 0.831) 6.736 1.905 ( 0.268 -0.103 -0.071) 0.296 1.985 ( 2.353 -2.334 -0.751) 3.398 2.396 ( -0.998 -0.260 0.622) 1.204 3.247 ( -13.040 9.014 -0.336) 15.856 3.739 ( 6.237 -5.168 0.356) 8.108 6.017 ( -2.179 -0.841 0.349) 2.362 6.121 ( -2.900 1.053 0.690) 3.161 6.319 ( 6.137 0.106 -1.810) 6.399 6.849 ( -4.511 7.755 1.893) 9.169 6.934 ( -1.589 -2.935 -1.421) 3.627 7.856 ( 4.401 -2.814 -0.094) 5.225======================= Grid point 316 (122/344) =======================q-point: (-0.20 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.679 ( -7.490 -0.489 0.705) 7.539 1.907 ( -0.193 -0.051 0.093) 0.220 2.005 ( 1.067 0.345 -0.988) 1.494 2.383 ( -0.652 -0.041 1.091) 1.272 3.051 ( -14.238 0.372 0.010) 14.242 3.778 ( 0.385 -0.371 -0.116) 0.547 5.970 ( -2.868 -0.294 0.247) 2.894 6.050 ( -5.561 -0.417 0.035) 5.576 6.415 ( 3.691 0.557 -1.735) 4.116 6.818 ( -2.451 -0.446 0.066) 2.492 6.913 ( 1.035 0.637 0.684) 1.395 7.919 ( 4.810 -0.301 -0.461) 4.842======================= Grid point 317 (123/344) =======================q-point: (-0.13 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.546 ( -7.680 -0.859 0.606) 7.752 1.882 ( -3.095 -0.497 -0.703) 3.212 2.011 ( -0.906 1.534 -2.289) 2.900 2.370 ( -2.450 0.158 2.345) 3.395 2.828 ( -9.285 -3.406 0.456) 9.900 3.724 ( -7.827 1.812 0.002) 8.034 5.887 ( -7.844 -0.564 0.071) 7.864 5.970 ( -2.573 0.697 -0.859) 2.801 6.396 ( -3.811 -2.072 -1.830) 4.709 6.847 ( 8.591 -4.221 0.810) 9.606 6.952 ( 1.486 2.299 0.289) 2.753 8.000 ( 4.463 1.258 -1.297) 4.815======================= Grid point 318 (124/344) =======================q-point: (-0.07 0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.417 ( -7.866 0.988 -0.256) 7.932 1.772 ( -8.510 -1.373 -4.039) 9.519 1.999 ( -1.778 2.114 -2.009) 3.415 2.276 ( -9.648 -0.161 2.011) 9.856 2.732 ( 0.969 -2.943 1.357) 3.382 3.563 ( -14.778 4.304 1.339) 15.451 5.728 ( -10.056 -0.021 0.060) 10.057 5.955 ( -0.227 0.901 -2.341) 2.519 6.294 ( -3.771 -3.182 -0.854) 5.007 6.979 ( 9.533 -6.036 5.752) 12.665 7.012 ( 4.979 2.781 -4.741) 7.417 8.078 ( 3.887 1.226 -2.404) 4.732======================= Grid point 325 (125/344) =======================q-point: ( 0.40 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.449 ( -0.000 0.948 -2.068) 2.275 1.857 ( -0.000 8.120 -3.898) 9.007 1.947 ( -0.000 -1.160 -4.539) 4.685 2.130 ( -0.000 11.471 0.772) 11.497 2.572 ( 0.000 -3.166 3.023) 4.378 3.538 ( -0.000 19.379 2.841) 19.586 5.639 ( -0.000 6.941 -0.609) 6.968 6.054 ( -0.000 1.184 -3.373) 3.575 6.194 ( 0.000 1.318 0.567) 1.435 6.664 ( 0.000 -3.576 -0.672) 3.639 7.194 ( 0.000 -10.763 -0.153) 10.764 8.225 ( -0.000 -1.327 -1.692) 2.150======================= Grid point 326 (126/344) =======================q-point: ( 0.47 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.479 ( 3.225 1.346 -1.216) 3.700 1.876 ( -0.260 0.979 -9.415) 9.469 1.940 ( -0.538 3.187 1.340) 3.499 2.294 ( 6.350 9.250 0.414) 11.228 2.567 ( 1.902 -2.966 4.157) 5.450 3.719 ( 0.536 14.977 1.624) 15.074 5.739 ( 4.940 5.810 -0.605) 7.650 6.036 ( -2.395 2.301 -3.366) 4.729 6.235 ( 2.183 2.078 -0.250) 3.024 6.641 ( 1.477 -3.870 1.199) 4.312 7.088 ( -1.056 -8.838 -0.759) 8.934 8.176 ( -3.944 -0.822 -1.383) 4.259======================= Grid point 327 (127/344) =======================q-point: ( 0.53 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.574 ( 5.852 2.181 0.393) 6.257 1.867 ( 1.735 -0.424 -5.050) 5.357 1.963 ( -1.091 3.493 0.262) 3.668 2.451 ( 1.921 3.257 2.002) 4.278 2.652 ( 10.766 1.555 1.358) 10.962 3.835 ( -1.317 9.241 0.417) 9.343 5.896 ( 6.854 5.231 -0.224) 8.625 6.016 ( -1.844 3.278 -2.148) 4.332 6.282 ( 1.439 0.859 -1.586) 2.307 6.654 ( 4.102 -3.108 1.788) 5.448 6.995 ( -1.199 -5.858 -0.606) 6.010 8.078 ( -6.519 -0.436 -1.156) 6.636======================= Grid point 328 (128/344) =======================q-point: ( 0.60 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.700 ( 6.046 2.500 0.630) 6.573 1.889 ( 1.922 -0.448 -1.097) 2.258 1.972 ( -1.191 2.387 -0.277) 2.682 2.458 ( -1.164 -0.858 1.562) 2.128 2.924 ( 15.737 5.375 0.229) 16.631 3.845 ( -4.861 3.416 -0.306) 5.949 6.012 ( 0.504 3.932 -0.010) 3.964 6.053 ( 3.573 3.433 -0.759) 5.012 6.279 ( -0.757 -1.537 -1.623) 2.360 6.743 ( 8.184 -0.697 0.837) 8.256 6.939 ( -0.675 -2.332 0.163) 2.433 7.954 ( -7.114 -0.635 -0.871) 7.195======================= Grid point 329 (129/344) =======================q-point: ( 0.67 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.817 ( 4.849 2.663 0.112) 5.533 1.904 ( 0.520 -0.519 0.084) 0.739 1.961 ( -1.961 -0.123 0.020) 1.965 2.430 ( -1.192 -0.929 0.394) 1.562 3.244 ( 15.285 6.174 0.225) 16.487 3.738 ( -8.741 -1.721 -0.360) 8.916 6.045 ( 0.208 1.555 0.235) 1.586 6.134 ( 2.596 3.553 -0.036) 4.400 6.230 ( -1.760 -2.934 -0.973) 3.557 6.883 ( 6.095 1.753 -0.383) 6.353 6.926 ( 0.840 -0.607 0.844) 1.336 7.839 ( -4.903 -1.064 -0.390) 5.032======================= Grid point 330 (130/344) =======================q-point: (-0.27 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.893 ( -4.335 -2.196 0.014) 4.860 1.903 ( -0.141 -0.003 -0.041) 0.147 1.915 ( 3.920 1.947 0.027) 4.377 2.408 ( -0.832 -0.368 -0.000) 0.910 3.529 ( -12.937 -2.695 0.024) 13.215 3.531 ( 13.051 2.750 -0.024) 13.338 6.043 ( -1.028 -0.214 0.077) 1.053 6.167 ( -2.343 -1.910 -0.320) 3.040 6.227 ( 4.629 2.749 0.254) 5.390 6.911 ( -0.775 -1.194 -0.064) 1.425 6.963 ( -0.068 0.759 0.053) 0.764 7.795 ( 0.589 0.256 -0.000) 0.642======================= Grid point 331 (131/344) =======================q-point: (-0.20 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.775 ( -5.682 -3.808 -0.080) 6.840 1.906 ( 0.284 0.204 0.064) 0.356 1.993 ( 2.201 3.181 0.137) 3.871 2.392 ( -0.660 -0.427 0.233) 0.820 3.253 ( -12.971 -8.592 0.316) 15.562 3.732 ( 6.079 4.660 -0.420) 7.671 6.018 ( -2.245 0.762 0.455) 2.414 6.107 ( -2.506 -2.154 -0.836) 3.409 6.335 ( 5.184 1.894 -0.003) 5.519 6.823 ( -4.019 -7.919 -0.989) 8.935 6.957 ( -1.694 2.543 1.182) 3.276 7.854 ( 4.021 2.767 -0.316) 4.891======================= Grid point 332 (132/344) =======================q-point: (-0.13 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.644 ( -5.872 -3.031 0.084) 6.609 1.911 ( -0.570 0.615 -0.253) 0.876 2.042 ( -0.346 3.497 -0.984) 3.649 2.385 ( 0.299 -0.586 1.686) 1.810 2.953 ( -11.924 -9.756 0.443) 15.413 3.815 ( -0.644 3.609 -0.485) 3.698 5.978 ( -4.234 0.413 -0.017) 4.254 6.039 ( -3.620 0.123 -0.804) 3.711 6.402 ( 0.690 -0.940 -1.718) 2.077 6.693 ( 1.451 -9.471 1.022) 9.636 6.965 ( -0.129 1.733 0.424) 1.789 7.954 ( 3.840 3.953 -0.891) 5.583======================= Grid point 333 (133/344) =======================q-point: (-0.07 0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.528 ( -5.561 -1.086 -0.358) 5.678 1.876 ( -4.920 1.093 -2.522) 5.636 2.044 ( -2.042 2.919 -2.308) 4.245 2.385 ( -2.295 -0.176 2.797) 3.623 2.712 ( -4.890 -8.379 1.456) 9.810 3.783 ( -7.037 3.821 0.191) 8.010 5.869 ( -7.500 -1.400 -0.343) 7.637 5.999 ( -3.168 3.127 -1.903) 4.841 6.325 ( -4.266 -3.682 -1.438) 5.815 6.730 ( 10.607 -7.940 2.119) 13.418 6.990 ( 1.477 1.202 -0.797) 2.064 8.043 ( 2.699 3.579 -1.373) 4.688======================= Grid point 341 (134/344) =======================q-point: ( 0.47 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.453 ( -0.000 0.744 -1.630) 1.792 1.834 ( -0.000 -2.458 -9.000) 9.330 1.983 ( -0.000 3.552 0.657) 3.612 2.317 ( -0.000 7.449 0.537) 7.468 2.541 ( 0.000 -2.742 4.873) 5.591 3.851 ( -0.000 11.941 0.991) 11.982 5.734 ( -0.000 3.557 -0.877) 3.663 6.069 ( -0.000 2.617 -4.438) 5.152 6.243 ( -0.000 2.876 0.770) 2.977 6.601 ( 0.000 -3.444 2.554) 4.288 7.015 ( 0.000 -7.177 -1.333) 7.300 8.201 ( -0.000 -0.460 -0.993) 1.094======================= Grid point 342 (135/344) =======================q-point: ( 0.53 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.497 ( 4.529 0.959 -0.551) 4.662 1.809 ( 1.925 -1.316 -4.902) 5.428 2.007 ( -0.667 2.349 0.303) 2.461 2.435 ( 5.418 5.080 0.202) 7.430 2.537 ( 2.214 -2.606 3.235) 4.708 3.940 ( -1.078 7.491 0.146) 7.570 5.815 ( 6.197 2.644 -0.536) 6.758 6.069 ( -1.587 2.889 -2.889) 4.383 6.277 ( 0.607 1.943 -0.020) 2.035 6.586 ( 1.309 -3.054 2.017) 3.886 6.952 ( -0.193 -4.452 -0.870) 4.541 8.163 ( -3.877 -0.094 -0.771) 3.954======================= Grid point 343 (136/344) =======================q-point: ( 0.60 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.604 ( 6.888 0.760 -0.101) 6.931 1.842 ( 3.008 0.247 -0.856) 3.137 2.010 ( -1.121 1.237 0.262) 1.690 2.476 ( -1.248 -0.649 0.720) 1.580 2.694 ( 14.606 1.407 0.466) 14.681 3.952 ( -3.606 3.045 -0.437) 4.740 5.963 ( 8.062 1.952 -0.335) 8.302 6.063 ( -1.424 2.270 -0.829) 2.805 6.287 ( -0.800 0.375 -0.182) 0.902 6.612 ( 5.058 -2.064 0.282) 5.471 6.923 ( 0.174 -1.456 0.145) 1.474 8.071 ( -6.717 0.144 -0.544) 6.740======================= Grid point 344 (137/344) =======================q-point: (-0.33 -0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.722 ( 6.878 -0.309 -0.590) 6.910 1.887 ( 1.542 0.469 0.506) 1.690 1.996 ( -1.595 0.188 0.543) 1.695 2.444 ( -1.390 -0.839 -0.533) 1.709 2.980 ( 17.848 -0.062 0.303) 17.851 3.876 ( -7.041 0.132 -0.453) 7.057 6.055 ( -0.306 -0.567 -0.638) 0.906 6.088 ( 4.607 0.956 0.108) 4.707 6.264 ( -2.332 0.822 0.923) 2.640 6.729 ( 10.082 -0.511 -0.822) 10.128 6.923 ( 0.140 -0.005 0.668) 0.683 7.949 ( -7.699 0.373 -0.101) 7.709======================= Grid point 345 (138/344) =======================q-point: (-0.27 -0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.808 ( 4.843 -3.423 -0.885) 5.996 1.903 ( 0.238 0.432 0.033) 0.495 1.965 ( -2.031 0.631 0.571) 2.202 2.418 ( -0.841 -0.149 -0.922) 1.257 3.242 ( 15.117 -6.345 0.014) 16.394 3.742 ( -8.572 2.120 0.105) 8.831 6.036 ( 0.219 -2.087 -0.843) 2.261 6.131 ( 1.586 -3.139 -0.239) 3.525 6.260 ( -1.114 4.804 2.382) 5.477 6.884 ( 7.451 -1.916 -0.418) 7.705 6.916 ( -0.515 -0.167 -0.283) 0.611 7.847 ( -4.927 1.804 0.513) 5.272======================= Grid point 346 (139/344) =======================q-point: (-0.20 -0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.780 ( -1.246 -6.588 -0.702) 6.742 1.907 ( -0.072 0.335 -0.040) 0.345 1.989 ( 2.221 3.018 0.539) 3.786 2.402 ( -0.913 0.089 -0.913) 1.295 3.256 ( -1.094 -15.501 -0.053) 15.540 3.726 ( 1.284 7.451 0.185) 7.564 6.029 ( 1.359 -1.326 -0.644) 2.005 6.098 ( -0.834 -3.694 -0.007) 3.787 6.317 ( 1.051 4.308 2.109) 4.910 6.821 ( -4.611 -6.745 -0.741) 8.204 6.969 ( 1.992 -0.172 -0.158) 2.006 7.847 ( 0.958 4.441 0.513) 4.572======================= Grid point 347 (140/344) =======================q-point: (-0.13 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.679 ( -3.219 -5.425 -0.197) 6.312 1.916 ( 0.525 0.744 0.097) 0.916 2.063 ( 2.288 3.281 0.472) 4.028 2.383 ( -0.888 -0.373 -0.416) 1.049 3.011 ( -8.634 -14.859 0.183) 17.187 3.832 ( 2.698 4.522 -0.249) 5.271 6.037 ( -2.783 -2.642 0.382) 3.856 6.052 ( 1.640 0.399 -0.685) 1.821 6.374 ( 1.678 1.440 0.815) 2.357 6.640 ( -6.094 -9.639 -0.657) 11.422 6.978 ( -0.110 -0.078 0.280) 0.311 7.939 ( 3.348 5.410 -0.066) 6.363======================= Grid point 348 (141/344) =======================q-point: (-0.07 0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.580 ( -3.410 -3.262 -0.161) 4.722 1.929 ( -0.650 1.514 -0.677) 1.781 2.110 ( -1.399 4.131 -1.555) 4.631 2.379 ( 1.522 -1.180 2.008) 2.782 2.731 ( -8.251 -12.518 0.332) 14.996 3.881 ( -1.092 2.897 -0.080) 3.097 5.946 ( -4.559 -3.484 -0.161) 5.740 6.080 ( -1.371 4.270 -0.775) 4.552 6.364 ( -4.354 -1.663 -1.896) 5.032 6.515 ( 4.778 -9.438 1.961) 10.759 6.980 ( 0.378 0.201 -0.187) 0.467 8.038 ( 2.567 4.642 -0.404) 5.319======================= Grid point 357 (142/344) =======================q-point: ( 0.53 0.53 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.461 ( -0.000 0.598 -0.261) 0.652 1.775 ( -0.000 0.307 -1.604) 1.633 2.031 ( 0.000 1.132 0.398) 1.200 2.416 ( -0.000 2.491 0.108) 2.493 2.512 ( 0.000 -2.255 1.562) 2.743 4.004 ( -0.000 3.867 -0.453) 3.893 5.775 ( -0.000 1.229 -0.089) 1.233 6.104 ( -0.000 2.674 -1.418) 3.027 6.290 ( -0.000 1.231 0.020) 1.231 6.553 ( 0.000 -2.564 0.186) 2.571 6.920 ( 0.000 -1.995 0.036) 1.995 8.193 ( -0.000 0.038 -0.596) 0.597======================= Grid point 358 (143/344) =======================q-point: (-0.40 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.507 ( 4.636 0.239 0.114) 4.643 1.809 ( 2.059 2.369 2.051) 3.749 2.032 ( -0.624 0.062 0.622) 0.883 2.484 ( 0.135 -0.197 -1.043) 1.070 2.502 ( 7.656 -1.529 0.418) 7.818 4.008 ( -1.525 -0.135 -0.942) 1.798 5.841 ( 6.576 0.300 0.254) 6.588 6.110 ( -1.735 1.581 0.896) 2.513 6.297 ( 0.186 0.045 -0.128) 0.230 6.541 ( 1.538 -1.351 -2.032) 2.884 6.916 ( 0.103 0.558 1.073) 1.214 8.161 ( -3.772 0.214 -0.470) 3.807======================= Grid point 359 (144/344) =======================q-point: (-0.33 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.600 ( 6.404 -0.947 -0.502) 6.493 1.875 ( 1.563 2.272 2.672) 3.839 2.017 ( -1.017 -0.919 1.198) 1.820 2.452 ( -1.046 -1.273 -2.122) 2.687 2.693 ( 14.964 -1.821 0.296) 15.078 3.947 ( -3.360 -3.125 -0.968) 4.690 5.965 ( 7.518 -1.686 -0.183) 7.707 6.082 ( -2.009 -0.939 1.196) 2.520 6.301 ( -0.173 0.800 1.479) 1.690 6.588 ( 5.713 0.676 -2.487) 6.267 6.933 ( -0.189 1.920 1.247) 2.297 8.075 ( -6.557 0.436 -0.143) 6.573======================= Grid point 360 (145/344) =======================q-point: (-0.27 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.682 ( 5.718 -3.231 -1.343) 6.704 1.906 ( 0.079 0.861 0.727) 1.129 1.989 ( -1.191 -1.525 1.807) 2.648 2.424 ( -0.473 -0.339 -2.370) 2.440 2.926 ( 15.651 -5.435 0.375) 16.572 3.845 ( -4.328 -3.319 -0.374) 5.467 6.006 ( 0.493 -3.454 -0.726) 3.564 6.061 ( 2.318 -3.849 0.108) 4.494 6.324 ( -0.111 3.171 3.453) 4.690 6.722 ( 9.080 0.792 -1.501) 9.237 6.941 ( -1.579 1.774 0.416) 2.411 7.967 ( -6.835 1.320 0.521) 6.980======================= Grid point 361 (146/344) =======================q-point: (-0.20 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.701 ( 2.420 -6.496 -1.664) 7.130 1.910 ( -0.133 -0.135 -0.231) 0.298 1.978 ( 1.053 -0.168 1.971) 2.241 2.413 ( -0.307 0.441 -2.220) 2.285 3.052 ( 7.973 -12.051 -0.004) 14.450 3.775 ( -1.047 0.069 0.277) 1.086 5.977 ( 1.043 -3.213 -0.526) 3.419 6.051 ( 1.748 -5.130 -0.157) 5.421 6.365 ( -0.312 3.071 3.799) 4.895 6.821 ( 0.654 -2.569 -0.256) 2.663 6.931 ( 0.498 1.747 -1.218) 2.187 7.905 ( -2.875 3.547 1.091) 4.695======================= Grid point 362 (147/344) =======================q-point: (-0.13 -0.47 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.647 ( -0.124 -6.686 -0.621) 6.716 1.908 ( 0.782 -0.654 0.434) 1.108 2.030 ( 3.656 0.744 1.615) 4.066 2.402 ( -1.066 0.754 -2.337) 2.677 2.956 ( -2.480 -15.110 -0.125) 15.313 3.812 ( 3.459 1.377 0.148) 3.725 5.979 ( 2.610 -3.835 -0.347) 4.652 6.032 ( 1.586 -3.185 0.704) 3.627 6.382 ( -0.515 -0.233 2.832) 2.888 6.704 ( -8.816 -2.789 -1.418) 9.355 6.968 ( 1.326 0.394 -0.199) 1.398 7.947 ( 1.789 5.125 0.845) 5.494======================= Grid point 373 (148/344) =======================q-point: (-0.40 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.472 ( 0.000 0.290 0.984) 1.026 1.838 ( 0.000 4.669 5.364) 7.112 2.035 ( 0.000 -1.047 1.158) 1.561 2.412 ( 0.000 -2.763 -0.237) 2.773 2.475 ( -0.000 -1.071 -2.819) 3.015 3.995 ( -0.000 -4.245 -1.468) 4.492 5.783 ( 0.000 -0.653 0.867) 1.085 6.144 ( 0.000 0.340 3.268) 3.286 6.282 ( -0.000 -1.731 -0.869) 1.937 6.517 ( -0.000 0.834 -3.818) 3.908 6.937 ( 0.000 2.878 1.794) 3.391 8.194 ( -0.000 0.379 -0.523) 0.646======================= Grid point 374 (149/344) =======================q-point: (-0.33 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.508 ( 3.517 -0.466 0.696) 3.615 1.903 ( 0.032 3.941 4.901) 6.289 2.020 ( -0.582 -2.057 2.527) 3.310 2.422 ( 2.827 -4.748 -1.728) 5.790 2.486 ( 5.835 0.158 -2.190) 6.234 3.924 ( -0.811 -7.882 -1.639) 8.092 5.826 ( 5.793 -2.427 0.736) 6.324 6.116 ( -2.979 -2.170 2.233) 4.309 6.281 ( 2.154 -1.803 0.516) 2.856 6.543 ( 1.720 3.782 -2.762) 4.990 6.975 ( -0.506 4.458 1.582) 4.757 8.166 ( -3.703 0.647 -0.424) 3.783======================= Grid point 375 (150/344) =======================q-point: (-0.27 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.564 ( 4.419 -2.496 -0.726) 5.127 1.922 ( -0.809 0.269 0.535) 1.007 1.993 ( -1.025 -2.663 4.352) 5.204 2.403 ( 1.038 -2.639 -3.318) 4.365 2.644 ( 12.628 -2.339 0.521) 12.853 3.820 ( -0.622 -9.553 -1.199) 9.648 5.895 ( 6.012 -5.544 -0.375) 8.187 6.041 ( -2.878 -3.197 0.614) 4.345 6.318 ( 3.273 -0.828 2.352) 4.115 6.635 ( 4.391 5.421 -0.220) 6.980 7.005 ( -1.936 4.911 0.486) 5.301 8.089 ( -6.108 1.166 0.080) 6.219======================= Grid point 376 (151/344) =======================q-point: (-0.20 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.585 ( 3.157 -5.892 -2.298) 7.069 1.902 ( -0.147 -2.294 -0.676) 2.396 1.968 ( -0.173 -1.833 4.231) 4.614 2.395 ( 1.480 -1.858 -3.059) 3.872 2.805 ( 9.963 -6.186 0.625) 11.743 3.734 ( 1.514 -8.207 -0.456) 8.358 5.908 ( 3.451 -7.022 -1.016) 7.890 5.979 ( -0.613 -3.274 0.389) 3.353 6.370 ( 2.440 -1.205 3.246) 4.236 6.772 ( 4.901 5.056 1.550) 7.210 6.997 ( -4.250 4.223 -1.464) 6.167 8.007 ( -5.270 2.513 0.972) 5.919======================= Grid point 377 (152/344) =======================q-point: (-0.13 -0.40 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.556 ( 2.360 -7.309 -1.588) 7.843 1.875 ( 0.854 -4.028 1.106) 4.263 1.989 ( 2.241 -0.064 2.769) 3.563 2.393 ( 1.395 -1.933 -2.975) 3.812 2.831 ( 2.055 -9.430 -0.167) 9.653 3.725 ( 5.255 -5.533 -0.197) 7.633 5.889 ( 2.985 -6.986 -0.434) 7.609 5.963 ( 1.819 -2.612 0.959) 3.324 6.377 ( 0.083 -3.739 2.698) 4.611 6.846 ( -5.211 5.265 1.027) 7.478 6.962 ( -0.824 2.257 -1.822) 3.015 7.988 ( -1.171 4.149 1.536) 4.576======================= Grid point 389 (153/344) =======================q-point: (-0.33 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.480 ( 0.000 -0.326 1.284) 1.325 1.946 ( 0.000 0.480 0.914) 1.032 2.023 ( 0.000 -0.726 7.601) 7.636 2.310 ( 0.000 -7.645 -0.333) 7.652 2.460 ( -0.000 2.636 -4.229) 4.983 3.824 ( 0.000 -12.569 -2.071) 12.738 5.751 ( 0.000 -3.657 0.991) 3.789 6.131 ( 0.000 -3.178 2.191) 3.860 6.227 ( -0.000 -2.766 -0.989) 2.937 6.574 ( -0.000 6.139 -0.214) 6.143 7.037 ( -0.000 6.439 1.185) 6.547 8.204 ( -0.000 1.125 -0.659) 1.304======================= Grid point 390 (154/344) =======================q-point: (-0.27 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.492 ( 1.768 -1.656 0.131) 2.426 1.915 ( -0.424 -4.404 -1.751) 4.758 2.015 ( -2.258 -1.928 6.291) 6.956 2.282 ( 5.260 -8.856 -1.143) 10.363 2.522 ( 3.986 5.227 -0.359) 6.583 3.687 ( 1.050 -15.728 -1.940) 15.882 5.746 ( 4.222 -6.358 0.175) 7.634 6.068 ( -3.255 -2.779 0.334) 4.293 6.240 ( 3.780 -2.065 0.124) 4.309 6.655 ( 1.630 7.038 2.941) 7.800 7.096 ( -1.491 7.524 0.073) 7.671 8.185 ( -3.615 1.678 -0.513) 4.018======================= Grid point 391 (155/344) =======================q-point: (-0.20 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.485 ( 1.331 -5.291 -2.450) 5.981 1.858 ( 0.488 -6.056 -1.191) 6.191 1.970 ( -1.098 -3.216 4.426) 5.580 2.284 ( 5.282 -8.261 -2.389) 10.092 2.657 ( 5.660 3.214 1.878) 6.775 3.566 ( 3.992 -16.121 -1.432) 16.670 5.749 ( 4.898 -8.989 -0.973) 10.283 5.995 ( -2.945 -1.324 0.316) 3.244 6.296 ( 4.364 -2.004 1.078) 4.922 6.775 ( 3.263 6.852 4.792) 8.975 7.122 ( -4.115 7.633 -1.751) 8.847 8.125 ( -5.445 2.507 0.309) 6.003======================= Grid point 392 (156/344) =======================q-point: (-0.13 -0.33 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.434 ( 2.249 -8.164 -2.856) 8.937 1.808 ( 1.127 -7.400 1.576) 7.649 1.962 ( 1.599 -1.481 3.049) 3.748 2.283 ( 4.934 -8.231 -2.477) 9.911 2.746 ( 2.159 -0.037 0.896) 2.338 3.519 ( 8.200 -13.730 -1.257) 16.041 5.736 ( 4.894 -9.617 -1.012) 10.838 5.953 ( -1.444 -0.067 1.223) 1.893 6.328 ( 1.833 -3.684 1.434) 4.358 6.909 ( 3.407 5.843 4.854) 8.325 7.087 ( -7.797 7.062 -3.811) 11.189 8.074 ( -3.993 3.661 1.600) 5.648======================= Grid point 405 (157/344) =======================q-point: (-0.27 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.465 ( 0.000 -1.852 -0.255) 1.870 1.849 ( -0.000 -8.173 -2.826) 8.648 2.031 ( 0.000 -3.777 2.687) 4.635 2.126 ( 0.000 -11.083 0.315) 11.088 2.563 ( 0.000 8.198 2.446) 8.556 3.493 ( 0.000 -20.541 -2.192) 20.657 5.645 ( 0.000 -7.629 0.082) 7.629 6.077 ( -0.000 -2.015 -0.644) 2.116 6.188 ( 0.000 -0.680 -0.131) 0.692 6.719 ( 0.000 6.502 5.615) 8.591 7.190 ( -0.000 9.269 -0.745) 9.299 8.233 ( -0.000 2.335 -0.901) 2.503======================= Grid point 406 (158/344) =======================q-point: (-0.20 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.426 ( -1.030 -5.161 -3.040) 6.078 1.760 ( 1.463 -9.924 -3.094) 10.497 1.956 ( -1.528 -6.563 2.611) 7.227 2.088 ( 5.771 -10.163 -0.994) 11.730 2.668 ( 1.473 7.630 4.431) 8.945 3.305 ( 3.738 -22.669 -2.082) 23.069 5.590 ( 2.962 -9.272 -0.634) 9.755 6.038 ( -2.577 0.101 -0.574) 2.642 6.220 ( 3.274 -0.081 0.241) 3.284 6.809 ( 1.780 5.280 7.171) 9.082 7.260 ( -2.583 10.105 -2.016) 10.623 8.226 ( -3.346 2.942 -0.588) 4.494======================= Grid point 407 (159/344) =======================q-point: (-0.13 -0.27 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.318 ( -0.343 -10.074 -5.064) 11.281 1.697 ( 2.610 -10.385 0.420) 10.716 1.910 ( 2.081 -4.893 2.734) 5.979 2.088 ( 6.202 -9.952 -2.060) 11.906 2.758 ( 0.374 4.557 3.962) 6.050 3.194 ( 9.493 -21.062 -2.548) 23.243 5.558 ( 4.480 -9.868 -1.000) 10.883 6.003 ( -2.762 1.875 0.526) 3.380 6.269 ( 2.465 -1.084 0.522) 2.743 6.915 ( 3.136 3.832 6.350) 8.052 7.279 ( -6.084 10.206 -3.221) 12.310 8.188 ( -4.608 3.609 0.784) 5.905======================= Grid point 421 (160/344) =======================q-point: (-0.20 -0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.381 ( -0.000 -6.435 -4.527) 7.868 1.610 ( -0.000 -13.945 -6.448) 15.364 1.917 ( 0.000 -10.550 2.600) 10.866 1.920 ( 0.000 -8.100 -0.209) 8.103 2.750 ( 0.000 7.421 6.428) 9.818 3.025 ( 0.000 -26.210 -2.588) 26.337 5.475 ( 0.000 -9.388 -0.580) 9.405 6.067 ( -0.000 1.786 -1.261) 2.186 6.201 ( 0.000 1.696 0.514) 1.772 6.857 ( 0.000 3.116 8.686) 9.228 7.381 ( -0.000 11.500 -2.506) 11.770 8.282 ( -0.000 3.244 -1.128) 3.434======================= Grid point 422 (161/344) =======================q-point: (-0.13 -0.20 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.227 ( -4.132 -12.695 -7.925) 15.525 1.512 ( 5.500 -13.776 -3.890) 15.335 1.822 ( 1.205 -8.373 2.846) 8.925 1.897 ( 5.055 -9.108 -0.361) 10.423 2.784 ( 3.276 -18.916 7.082) 20.462 2.858 ( 2.797 -1.974 -3.954) 5.230 5.404 ( 2.436 -9.232 -0.740) 9.577 6.072 ( -2.054 3.664 -0.410) 4.220 6.238 ( 1.573 1.614 0.406) 2.290 6.918 ( 1.876 1.290 8.276) 8.583 7.458 ( -3.519 11.866 -3.060) 12.750 8.286 ( -2.775 3.370 -0.511) 4.395======================= Grid point 437 (162/344) =======================q-point: (-0.13 -0.13 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.146 ( -0.000 -13.970 -8.651) 16.431 1.253 ( -0.000 -18.121 -9.910) 20.654 1.716 ( 0.000 -14.238 1.689) 14.338 1.779 ( 0.000 -5.824 4.127) 7.138 2.475 ( 0.000 -28.258 -0.248) 28.259 2.912 ( 0.000 5.753 3.078) 6.525 5.298 ( 0.000 -8.314 -0.534) 8.331 6.130 ( -0.000 5.045 -0.583) 5.078 6.250 ( -0.000 2.908 0.537) 2.957 6.927 ( 0.000 -0.958 9.332) 9.381 7.598 ( -0.000 12.594 -3.067) 12.962 8.335 ( -0.000 2.767 -1.277) 3.048======================= Grid point 486 (163/344) =======================q-point: ( 0.13 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.349 ( 0.000 -0.000 20.553) 20.553 0.349 ( 0.000 -0.000 20.553) 20.553 0.692 ( 0.000 -0.000 40.711) 40.711 1.646 ( -0.000 0.000 -3.463) 3.463 1.646 ( -0.000 0.000 -3.463) 3.463 3.519 ( -0.000 0.000 -10.059) 10.059 5.058 ( 0.000 -0.000 1.066) 1.066 5.058 ( 0.000 -0.000 1.066) 1.066 6.370 ( -0.000 0.000 -0.586) 0.586 6.370 ( -0.000 0.000 -0.586) 0.586 8.191 ( 0.000 -0.000 1.543) 1.543 8.485 ( -0.000 0.000 -0.551) 0.551======================= Grid point 487 (164/344) =======================q-point: ( 0.20 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.426 ( 8.493 4.903 12.418) 15.823 0.575 ( 6.719 3.879 20.842) 22.239 1.119 ( 23.930 13.816 25.848) 37.838 1.671 ( 2.205 1.273 -2.780) 3.770 1.693 ( 5.831 3.366 -5.372) 8.613 3.112 ( -10.539 -6.085 0.495) 12.180 5.090 ( 2.457 1.419 1.170) 3.069 6.137 ( 40.163 23.188 -39.695) 61.044 6.336 ( -1.547 -0.893 -2.019) 2.696 6.351 ( -1.490 -0.860 -0.609) 1.825 8.136 ( -7.233 -4.176 4.202) 9.349 8.367 ( -5.030 -2.904 1.577) 6.018======================= Grid point 488 (165/344) =======================q-point: ( 0.27 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.700 ( 12.817 7.400 4.669) 15.519 0.798 ( 9.116 5.263 12.215) 16.125 1.645 ( 13.628 7.868 11.314) 19.381 1.731 ( 3.869 2.234 -1.883) 4.848 1.934 ( 20.179 11.650 -1.590) 23.355 2.978 ( -2.575 -1.486 -4.189) 5.136 5.173 ( 4.719 2.725 1.037) 5.547 6.217 ( -5.527 -3.191 -1.534) 6.564 6.306 ( -2.332 -1.346 -0.567) 2.752 6.665 ( 17.289 9.982 -20.525) 28.633 7.921 ( -12.268 -7.083 6.649) 15.649 8.292 ( -2.859 -1.651 -3.188) 4.589======================= Grid point 489 (166/344) =======================q-point: ( 0.33 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.986 ( 11.708 6.760 1.042) 13.559 1.039 ( 10.620 6.131 3.484) 12.748 1.836 ( 6.032 3.483 -0.814) 7.013 1.843 ( 5.812 3.356 0.701) 6.748 2.445 ( 21.000 12.125 0.654) 24.258 2.971 ( 3.545 2.047 -0.603) 4.138 5.302 ( 6.592 3.806 0.687) 7.643 6.080 ( -5.959 -3.440 -1.838) 7.122 6.253 ( -2.144 -1.238 -0.412) 2.510 6.903 ( 8.778 5.068 -10.097) 14.307 7.651 ( -13.558 -7.827 5.569) 16.616 8.207 ( -3.546 -2.047 -4.283) 5.925======================= Grid point 490 (167/344) =======================q-point: ( 0.40 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.210 ( 8.430 4.867 -0.826) 9.769 1.284 ( 11.230 6.484 -1.918) 13.109 1.942 ( 3.436 1.984 -1.269) 4.165 1.992 ( 7.936 4.582 0.065) 9.164 2.723 ( 4.632 2.674 -2.635) 5.962 3.200 ( 15.450 8.920 4.488) 18.396 5.461 ( 7.433 4.291 0.169) 8.584 5.963 ( -3.671 -2.119 -2.240) 4.794 6.215 ( -1.032 -0.596 -0.081) 1.194 7.008 ( 2.911 1.681 -6.603) 7.409 7.354 ( -14.368 -8.295 4.228) 17.121 8.130 ( -2.098 -1.211 -2.966) 3.830======================= Grid point 491 (168/344) =======================q-point: ( 0.47 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.357 ( 5.281 3.049 -1.493) 6.278 1.523 ( 11.010 6.357 -4.412) 13.457 1.999 ( 2.207 1.274 -1.452) 2.933 2.172 ( 7.891 4.556 0.401) 9.121 2.733 ( -2.438 -1.408 0.395) 2.843 3.549 ( 13.627 7.868 2.886) 15.998 5.619 ( 6.619 3.822 -0.472) 7.658 5.921 ( 0.731 0.422 -2.349) 2.496 6.209 ( 0.434 0.251 0.454) 0.676 6.985 ( -6.014 -3.472 -7.504) 10.224 7.070 ( -8.988 -5.189 5.010) 11.525 8.105 ( 0.138 0.080 -0.810) 0.826======================= Grid point 492 (169/344) =======================q-point: ( 0.53 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.444 ( 3.075 1.776 -1.454) 3.837 1.740 ( 9.697 5.599 -5.501) 12.476 2.041 ( 2.170 1.253 -1.394) 2.867 2.326 ( 5.572 3.217 0.381) 6.446 2.635 ( -6.480 -3.742 2.326) 7.836 3.798 ( 8.161 4.712 2.003) 9.634 5.741 ( 4.420 2.552 -1.015) 5.204 5.985 ( 5.499 3.175 -2.193) 6.718 6.232 ( 1.169 0.675 0.984) 1.671 6.718 ( -12.751 -7.362 -0.357) 14.727 6.999 ( -1.504 -0.868 -1.184) 2.102 8.120 ( 0.978 0.565 0.512) 1.240======================= Grid point 493 (170/344) =======================q-point: ( 0.60 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.489 ( 1.455 0.840 -1.075) 1.995 1.903 ( 5.715 3.299 -4.412) 7.938 2.101 ( 4.218 2.435 -3.486) 5.989 2.411 ( 1.859 1.073 0.249) 2.161 2.479 ( -7.727 -4.461 3.566) 9.609 3.922 ( 2.553 1.474 1.992) 3.558 5.807 ( 1.884 1.088 -1.099) 2.437 6.142 ( 8.840 5.104 -2.477) 10.503 6.254 ( 0.293 0.169 1.124) 1.173 6.462 ( -10.308 -5.952 2.359) 12.135 6.977 ( -0.111 -0.064 -1.291) 1.297 8.141 ( 0.576 0.332 1.010) 1.209======================= Grid point 494 (171/344) =======================q-point: (-0.33 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.504 ( 0.057 0.033 -0.430) 0.436 1.960 ( 0.323 0.187 -0.720) 0.811 2.178 ( 1.093 0.631 -4.093) 4.284 2.367 ( -0.544 -0.314 1.458) 1.588 2.406 ( -2.342 -1.352 0.041) 2.704 3.920 ( -3.370 -1.946 1.912) 4.336 5.818 ( -0.767 -0.443 -0.667) 1.109 6.228 ( -5.650 -3.262 0.905) 6.586 6.245 ( -1.287 -0.743 0.764) 1.671 6.401 ( 8.971 5.179 0.095) 10.359 6.990 ( 1.602 0.925 -0.688) 1.974 8.151 ( 0.104 0.060 1.453) 1.458======================= Grid point 495 (172/344) =======================q-point: (-0.27 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.489 ( -1.403 -0.810 0.607) 1.730 1.916 ( -4.758 -2.747 2.780) 6.157 2.115 ( -3.995 -2.307 2.021) 5.037 2.310 ( -6.204 -3.582 -0.342) 7.171 2.471 ( 7.887 4.554 -5.538) 10.659 3.777 ( -10.115 -5.840 1.130) 11.734 5.765 ( -4.019 -2.320 0.032) 4.641 6.104 ( -4.963 -2.865 3.580) 6.757 6.211 ( -1.549 -0.894 0.103) 1.792 6.635 ( 11.136 6.429 -4.116) 13.501 7.047 ( 3.658 2.112 0.623) 4.269 8.161 ( 0.571 0.330 2.311) 2.403======================= Grid point 496 (173/344) =======================q-point: (-0.20 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.442 ( -3.442 -1.987 2.360) 4.623 1.769 ( -9.445 -5.453 6.765) 12.834 2.037 ( -3.912 -2.259 0.904) 4.607 2.139 ( -8.690 -5.017 -1.144) 10.099 2.636 ( 8.023 4.632 -5.042) 10.548 3.474 ( -17.277 -9.975 -0.195) 19.950 5.641 ( -7.061 -4.077 0.510) 8.169 6.040 ( -1.600 -0.924 3.405) 3.874 6.190 ( -0.121 -0.070 -0.402) 0.426 6.836 ( 7.870 4.544 -7.703) 11.913 7.164 ( 6.756 3.901 2.536) 8.203 8.197 ( 2.027 1.170 3.147) 3.922======================= Grid point 497 (174/344) =======================q-point: (-0.13 0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.339 ( -7.101 -4.100 5.247) 9.735 1.543 ( -12.858 -7.424 9.116) 17.423 1.924 ( -6.729 -3.885 -1.070) 7.843 1.939 ( -8.310 -4.798 -2.661) 9.957 2.789 ( 6.501 3.754 -2.413) 7.885 3.020 ( -22.972 -13.263 -1.749) 26.583 5.470 ( -8.162 -4.712 0.585) 9.443 6.053 ( 1.982 1.144 2.119) 3.119 6.205 ( 1.518 0.877 -0.549) 1.837 6.930 ( 2.913 1.682 -8.614) 9.247 7.359 ( 9.776 5.644 2.789) 11.628 8.265 ( 3.115 1.798 2.879) 4.607======================= Grid point 502 (175/344) =======================q-point: ( 0.20 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.585 ( 0.000 18.398 10.100) 20.988 0.704 ( 0.000 15.254 16.626) 22.564 1.102 ( 0.000 16.509 31.521) 35.582 1.610 ( -0.000 0.014 -5.870) 5.870 1.729 ( -0.000 9.402 -3.465) 10.021 3.111 ( 0.000 -13.163 -1.457) 13.244 5.091 ( 0.000 2.777 1.179) 3.016 6.010 ( -0.000 44.993 -34.217) 56.527 6.343 ( -0.000 -0.742 -2.238) 2.358 6.347 ( -0.000 -1.860 -0.713) 1.992 8.144 ( 0.000 -8.036 3.715) 8.853 8.384 ( 0.000 -4.611 0.830) 4.685======================= Grid point 503 (176/344) =======================q-point: ( 0.27 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.784 ( -1.546 20.828 6.471) 21.865 0.856 ( -0.135 12.406 16.885) 20.954 1.525 ( 15.771 12.817 18.334) 27.370 1.643 ( 5.553 0.964 -5.607) 7.950 1.867 ( 5.294 16.195 -2.741) 17.257 2.979 ( -2.357 -5.033 -5.216) 7.622 5.149 ( 2.506 4.179 1.202) 5.019 6.239 ( -1.227 -3.064 -2.914) 4.403 6.315 ( -0.858 -2.003 -0.823) 2.329 6.469 ( 12.547 19.458 -22.268) 32.123 8.005 ( -6.192 -11.668 5.835) 14.440 8.325 ( -3.074 -1.107 -2.292) 3.992======================= Grid point 504 (177/344) =======================q-point: ( 0.33 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.969 ( 1.394 13.521 10.536) 17.198 1.054 ( 3.722 15.291 3.312) 16.083 1.733 ( 7.127 2.040 -2.877) 7.952 1.820 ( 5.382 6.316 2.745) 8.740 2.268 ( 17.639 19.417 2.063) 26.313 2.929 ( 1.796 -0.537 -3.791) 4.229 5.258 ( 4.488 5.660 1.089) 7.305 6.129 ( -4.985 -4.712 -1.533) 7.029 6.273 ( -1.635 -1.431 -0.616) 2.259 6.757 ( 11.215 8.135 -13.221) 19.151 7.775 ( -9.810 -11.292 5.791) 16.040 8.243 ( -4.203 -1.511 -3.983) 5.984======================= Grid point 505 (178/344) =======================q-point: ( 0.40 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.150 ( 4.438 8.842 6.394) 11.780 1.269 ( 4.440 14.326 -1.896) 15.117 1.868 ( 6.492 2.248 -1.778) 7.097 1.956 ( 4.300 7.134 -0.066) 8.330 2.646 ( 8.887 7.723 -3.009) 12.152 3.066 ( 11.963 8.174 3.088) 14.815 5.408 ( 5.709 6.908 0.809) 8.998 6.000 ( -4.590 -3.530 -1.777) 6.057 6.237 ( -1.550 0.019 -0.557) 1.647 6.922 ( 6.577 1.823 -8.118) 10.606 7.503 ( -12.092 -10.158 4.724) 16.484 8.148 ( -3.310 -2.065 -3.417) 5.186======================= Grid point 506 (179/344) =======================q-point: ( 0.47 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.312 ( 4.472 6.342 2.293) 8.092 1.466 ( 5.369 11.751 -3.313) 13.337 1.957 ( 3.430 0.768 -1.619) 3.870 2.124 ( 6.030 8.827 0.250) 10.693 2.739 ( 0.895 0.344 -1.555) 1.827 3.410 ( 14.279 10.170 3.075) 17.798 5.574 ( 5.470 7.434 0.342) 9.236 5.918 ( -1.482 -1.189 -1.786) 2.607 6.224 ( -0.751 1.544 -0.307) 1.745 6.967 ( 1.373 -1.819 -7.410) 7.752 7.215 ( -12.806 -8.236 4.371) 15.841 8.090 ( -0.294 -1.999 -1.392) 2.453======================= Grid point 507 (180/344) =======================q-point: ( 0.53 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.426 ( 2.397 4.949 0.107) 5.500 1.657 ( 6.679 9.028 -3.877) 11.881 2.005 ( 2.615 0.323 -1.338) 2.955 2.300 ( 4.583 8.203 0.597) 9.415 2.703 ( -4.047 -1.640 0.525) 4.398 3.703 ( 10.188 6.430 1.986) 12.209 5.721 ( 3.562 7.023 -0.261) 7.879 5.928 ( 3.151 1.451 -1.551) 3.800 6.238 ( 0.132 2.370 0.144) 2.378 6.847 ( -9.852 -6.156 -3.999) 12.286 7.020 ( -3.801 -2.630 1.409) 4.832 8.087 ( 2.044 -2.008 0.264) 2.878======================= Grid point 508 (181/344) =======================q-point: ( 0.60 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.492 ( 0.595 3.934 -0.589) 4.022 1.826 ( 6.156 5.657 -4.491) 9.490 2.051 ( 3.014 0.751 -1.698) 3.540 2.420 ( 1.299 4.938 1.080) 5.219 2.593 ( -7.493 -0.269 1.207) 7.594 3.880 ( 5.398 2.443 1.951) 6.238 5.820 ( 0.845 6.081 -0.691) 6.178 6.034 ( 7.174 2.754 -1.457) 7.821 6.266 ( 0.235 2.291 0.427) 2.342 6.600 ( -11.373 -4.664 0.637) 12.309 6.975 ( -0.644 -0.791 -1.230) 1.598 8.108 ( 2.480 -2.302 0.924) 3.508======================= Grid point 509 (182/344) =======================q-point: (-0.33 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.521 ( -0.780 2.871 -0.532) 3.022 1.929 ( 3.183 1.291 -2.686) 4.361 2.113 ( 3.990 0.825 -4.325) 5.942 2.410 ( -3.771 -2.638 3.201) 5.606 2.513 ( -6.135 7.631 -0.203) 9.793 3.940 ( 0.163 -0.949 2.151) 2.357 5.861 ( -1.929 4.722 -0.647) 5.142 6.160 ( 4.789 -2.179 -0.993) 5.355 6.306 ( 1.750 4.649 -1.283) 5.131 6.416 ( -6.932 -0.034 3.766) 7.889 6.971 ( 0.915 0.168 -1.231) 1.543 8.125 ( 2.000 -2.602 1.206) 3.497======================= Grid point 510 (183/344) =======================q-point: (-0.27 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.518 ( -1.944 1.426 0.027) 2.411 1.945 ( -0.713 -1.483 0.333) 1.679 2.130 ( -0.300 -2.886 -2.267) 3.683 2.359 ( -1.500 -0.833 0.938) 1.956 2.489 ( -4.782 8.718 -1.817) 10.108 3.873 ( -6.253 -3.876 1.808) 7.576 5.839 ( -4.825 2.457 -0.162) 5.417 6.124 ( -2.024 -5.577 1.411) 6.098 6.284 ( -5.095 2.301 0.928) 5.667 6.522 ( 8.990 7.352 -1.767) 11.747 7.004 ( 2.960 0.723 -0.421) 3.076 8.135 ( 1.962 -2.490 1.694) 3.594======================= Grid point 511 (184/344) =======================q-point: (-0.20 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.482 ( -3.137 -0.869 1.320) 3.513 1.874 ( -5.717 -3.037 3.326) 7.278 2.068 ( -2.567 -3.082 -0.097) 4.012 2.264 ( -8.815 -1.056 0.302) 8.884 2.562 ( 4.345 7.215 -4.408) 9.506 3.661 ( -13.947 -6.455 0.930) 15.397 5.744 ( -7.808 -0.411 0.398) 7.829 6.050 ( -1.395 -3.817 2.291) 4.665 6.237 ( -3.672 2.865 0.348) 4.670 6.732 ( 8.532 6.458 -5.711) 12.129 7.086 ( 5.956 1.254 1.327) 6.230 8.160 ( 2.979 -1.742 2.258) 4.124======================= Grid point 512 (185/344) =======================q-point: (-0.13 0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.396 ( -5.160 -4.778 3.942) 8.062 1.725 ( -10.231 -2.552 5.076) 11.702 1.975 ( -4.952 -3.701 -1.904) 6.468 2.081 ( -11.267 -0.870 0.327) 11.306 2.705 ( 6.604 4.862 -4.102) 9.170 3.294 ( -21.696 -8.238 0.421) 23.211 5.585 ( -9.520 -2.296 0.683) 9.817 6.029 ( 1.345 -1.563 1.651) 2.641 6.221 ( -1.560 2.862 -0.192) 3.265 6.873 ( 4.397 4.119 -7.951) 9.976 7.240 ( 9.755 2.347 2.689) 10.387 8.215 ( 4.260 -0.848 2.031) 4.795======================= Grid point 518 (186/344) =======================q-point: ( 0.27 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.002 ( -0.000 19.526 4.852) 20.120 1.080 ( 0.000 14.576 13.029) 19.550 1.565 ( 0.000 14.434 18.588) 23.534 1.588 ( -0.000 2.099 -7.847) 8.122 1.992 ( -0.000 20.372 -1.461) 20.424 2.928 ( -0.000 -5.207 -6.369) 8.226 5.178 ( -0.000 5.680 1.105) 5.787 6.212 ( -0.000 -3.185 -1.820) 3.668 6.295 ( 0.000 -2.948 -0.713) 3.033 6.500 ( -0.000 17.915 -18.416) 25.692 7.944 ( 0.000 -13.991 5.228) 14.936 8.336 ( -0.000 -1.008 -3.021) 3.184======================= Grid point 519 (187/344) =======================q-point: ( 0.33 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.186 ( -4.103 12.054 12.788) 18.046 1.197 ( -0.618 18.966 1.184) 19.013 1.642 ( 5.165 4.258 -5.512) 8.671 1.796 ( 6.374 7.909 6.975) 12.322 2.269 ( 7.706 23.459 0.259) 24.694 2.880 ( 1.279 -1.550 -4.543) 4.968 5.264 ( 2.558 7.072 1.109) 7.601 6.144 ( -2.934 -4.844 -1.099) 5.768 6.267 ( 0.041 -2.370 -0.636) 2.454 6.656 ( 6.417 10.026 -12.552) 17.299 7.785 ( -4.358 -13.943 4.842) 15.390 8.286 ( -3.407 -1.252 -3.914) 5.338======================= Grid point 520 (188/344) =======================q-point: ( 0.40 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.263 ( -2.290 9.945 9.751) 14.114 1.370 ( 0.828 16.334 -2.506) 16.546 1.784 ( 6.500 5.035 -1.808) 8.418 1.956 ( 4.438 7.066 0.546) 8.362 2.589 ( 7.284 11.226 -3.999) 13.966 2.980 ( 8.844 9.009 2.531) 12.876 5.402 ( 4.457 8.494 1.199) 9.667 6.033 ( -4.292 -3.989 -1.464) 6.039 6.249 ( -0.141 -0.588 -0.880) 1.068 6.802 ( 6.853 2.613 -7.807) 10.712 7.571 ( -7.401 -12.520 4.215) 15.142 8.187 ( -4.851 -1.918 -3.865) 6.493======================= Grid point 521 (189/344) =======================q-point: ( 0.47 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.361 ( 0.525 8.431 6.487) 10.650 1.523 ( 1.673 13.352 -3.860) 13.999 1.901 ( 3.807 1.726 -1.062) 4.313 2.125 ( 5.719 10.418 0.125) 11.885 2.708 ( 3.075 1.712 -3.011) 4.632 3.301 ( 12.593 13.077 3.038) 18.407 5.573 ( 5.017 9.466 1.169) 10.777 5.936 ( -3.004 -1.912 -1.464) 3.850 6.248 ( -0.176 1.552 -1.217) 1.980 6.880 ( 4.253 -1.753 -6.095) 7.636 7.330 ( -9.622 -10.103 3.609) 14.411 8.086 ( -3.060 -2.612 -2.516) 4.745======================= Grid point 522 (190/344) =======================q-point: ( 0.53 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.466 ( 0.862 7.340 3.678) 8.255 1.666 ( 2.946 10.661 -3.217) 11.519 1.956 ( 2.820 -0.050 -1.236) 3.079 2.319 ( 4.608 10.148 1.024) 11.193 2.736 ( -0.321 0.989 -0.933) 1.397 3.605 ( 10.205 8.410 1.534) 13.313 5.742 ( 3.796 9.295 0.901) 10.080 5.904 ( 0.513 0.706 -1.061) 1.374 6.265 ( -0.053 2.897 -1.344) 3.194 6.870 ( -0.898 -3.638 -5.642) 6.773 7.099 ( -8.711 -6.147 3.257) 11.148 8.032 ( 0.578 -3.422 -0.728) 3.546======================= Grid point 523 (191/344) =======================q-point: ( 0.60 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.543 ( -0.422 6.440 1.470) 6.619 1.800 ( 3.346 7.268 -2.631) 8.423 1.999 ( 3.134 -0.167 -1.202) 3.361 2.448 ( 1.370 4.121 1.775) 4.692 2.724 ( -4.336 6.174 -0.673) 7.575 3.805 ( 6.944 2.996 1.299) 7.673 5.872 ( 1.586 7.916 0.537) 8.091 5.960 ( 4.197 2.644 -0.694) 5.009 6.289 ( 0.022 2.709 -1.271) 2.992 6.735 ( -8.863 -3.206 -1.383) 9.526 6.982 ( -2.046 -1.644 0.095) 2.627 8.028 ( 3.060 -4.232 0.343) 5.234======================= Grid point 524 (192/344) =======================q-point: ( 0.67 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.584 ( -1.863 5.454 0.519) 5.787 1.889 ( 2.481 2.699 -2.386) 4.374 2.051 ( 3.299 0.259 -2.182) 3.964 2.445 ( -2.375 -2.341 2.399) 4.108 2.723 ( -6.827 12.669 -0.838) 14.416 3.905 ( 3.492 -1.110 1.713) 4.045 5.948 ( -1.254 6.691 0.314) 6.815 6.063 ( 5.252 0.651 -0.521) 5.318 6.313 ( 0.938 2.268 -1.661) 2.964 6.568 ( -9.051 1.390 2.058) 9.385 6.960 ( -0.024 -0.015 -1.278) 1.278 8.044 ( 3.614 -4.737 0.737) 6.003======================= Grid point 525 (193/344) =======================q-point: (-0.27 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.587 ( -3.271 3.864 0.389) 5.078 1.926 ( 1.265 -0.326 -0.986) 1.637 2.082 ( 1.726 -1.648 -3.242) 4.025 2.387 ( -2.299 -1.232 2.360) 3.518 2.711 ( -9.075 12.375 -0.989) 15.378 3.908 ( -1.241 -3.484 1.757) 4.095 5.955 ( -4.360 4.170 0.469) 6.052 6.095 ( 0.062 -3.482 0.247) 3.491 6.359 ( 0.899 2.200 -2.415) 3.389 6.515 ( -1.525 7.668 2.379) 8.172 6.968 ( 1.399 0.061 -1.094) 1.777 8.059 ( 3.444 -4.674 0.973) 5.887======================= Grid point 526 (194/344) =======================q-point: (-0.20 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.549 ( -4.548 1.216 1.013) 4.816 1.916 ( -1.545 -1.657 0.887) 2.433 2.060 ( -0.454 -2.838 -2.445) 3.774 2.357 ( -2.521 -0.088 1.554) 2.962 2.666 ( -7.659 9.851 -1.800) 12.607 3.799 ( -8.041 -4.522 1.217) 9.305 5.885 ( -7.625 1.545 0.748) 7.816 6.038 ( -1.575 -4.072 0.884) 4.455 6.344 ( -4.315 3.585 -0.455) 5.629 6.655 ( 6.769 7.787 -2.589) 10.638 7.007 ( 4.018 -0.466 0.251) 4.053 8.080 ( 3.853 -3.894 1.130) 5.593======================= Grid point 527 (195/344) =======================q-point: (-0.13 0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.463 ( -5.978 -2.240 2.650) 6.912 1.845 ( -5.601 -1.707 1.863) 6.145 2.002 ( -2.604 -2.576 -2.955) 4.707 2.265 ( -9.425 0.240 1.810) 9.601 2.676 ( 0.664 6.093 -2.510) 6.623 3.556 ( -16.228 -4.470 0.892) 16.856 5.741 ( -10.226 -0.476 0.925) 10.279 5.994 ( 0.349 -2.725 0.509) 2.794 6.302 ( -4.264 3.171 -0.407) 5.330 6.820 ( 5.550 6.288 -5.921) 10.266 7.105 ( 8.147 -0.570 2.447) 8.526 8.123 ( 4.908 -2.771 0.688) 5.678======================= Grid point 534 (196/344) =======================q-point: ( 0.33 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.356 ( 0.000 6.617 5.846) 8.829 1.370 ( -0.000 16.698 1.406) 16.757 1.648 ( -0.000 9.877 -4.759) 10.964 1.835 ( 0.000 7.235 6.554) 9.762 2.429 ( -0.000 21.244 -2.572) 21.399 2.855 ( -0.000 2.690 -1.024) 2.878 5.317 ( -0.000 8.059 0.756) 8.094 6.125 ( 0.000 -4.237 -0.969) 4.346 6.235 ( 0.000 -2.775 -0.498) 2.819 6.660 ( -0.000 7.274 -9.197) 11.726 7.692 ( 0.000 -14.649 3.784) 15.130 8.293 ( -0.000 -1.376 -4.051) 4.278======================= Grid point 535 (197/344) =======================q-point: ( 0.40 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.392 ( -1.394 4.481 2.724) 5.426 1.517 ( -0.585 14.630 -1.643) 14.734 1.774 ( 2.498 10.492 0.306) 10.790 1.944 ( 4.381 5.732 0.439) 7.228 2.589 ( 2.699 7.382 -5.398) 9.535 2.986 ( 4.974 15.754 4.685) 17.172 5.426 ( 2.999 8.927 0.704) 9.443 6.056 ( -3.044 -3.314 -1.557) 4.762 6.224 ( 1.345 -1.493 -0.611) 2.100 6.720 ( 3.491 2.361 -5.619) 7.024 7.537 ( -2.985 -13.876 2.920) 14.491 8.235 ( -3.708 -1.563 -3.912) 5.612======================= Grid point 536 (198/344) =======================q-point: ( 0.47 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.440 ( 0.788 5.126 3.189) 6.088 1.628 ( -0.388 12.368 -4.089) 13.032 1.878 ( 1.437 3.590 0.652) 3.921 2.119 ( 7.145 10.329 -0.435) 12.568 2.659 ( 3.289 1.001 -2.516) 4.260 3.282 ( 7.924 17.299 3.396) 19.328 5.586 ( 4.987 9.700 0.942) 10.948 5.970 ( -3.471 -1.521 -1.706) 4.156 6.243 ( 1.600 0.577 -1.368) 2.183 6.776 ( 4.170 -1.633 -3.552) 5.716 7.352 ( -5.022 -11.941 2.319) 13.160 8.130 ( -5.339 -1.837 -3.191) 6.486======================= Grid point 537 (199/344) =======================q-point: ( 0.53 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.529 ( 1.760 6.023 3.859) 7.367 1.727 ( 0.908 10.172 -3.991) 10.965 1.916 ( 1.401 0.349 -0.346) 1.485 2.334 ( 5.624 9.828 1.145) 11.381 2.721 ( 3.634 1.785 -0.803) 4.127 3.556 ( 7.017 11.503 1.294) 13.537 5.767 ( 4.761 9.566 1.130) 10.744 5.918 ( -1.558 0.868 -1.190) 2.143 6.275 ( 1.215 2.003 -2.234) 3.237 6.805 ( 2.999 -2.815 -2.871) 5.016 7.164 ( -6.160 -8.753 2.067) 10.901 8.023 ( -3.731 -2.578 -1.943) 4.934======================= Grid point 538 (200/344) =======================q-point: ( 0.60 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.619 ( 0.409 6.501 2.743) 7.068 1.829 ( 1.465 7.607 -1.861) 7.968 1.942 ( 2.485 -0.709 -0.839) 2.716 2.460 ( 1.465 2.407 1.797) 3.342 2.823 ( 2.294 9.582 -0.693) 9.877 3.734 ( 5.170 4.188 0.444) 6.669 5.907 ( 2.107 5.585 0.777) 6.020 5.946 ( 2.238 5.194 -0.084) 5.657 6.300 ( 0.478 1.399 -2.697) 3.076 6.800 ( -1.299 -0.671 -1.843) 2.352 7.012 ( -4.211 -4.251 1.443) 6.156 7.955 ( -0.101 -4.011 -0.719) 4.076======================= Grid point 539 (201/344) =======================q-point: ( 0.67 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.678 ( -1.567 6.527 1.541) 6.887 1.889 ( 0.310 2.806 -0.908) 2.966 1.990 ( 3.571 0.014 -1.203) 3.768 2.459 ( -1.284 -2.174 1.585) 2.981 2.946 ( -2.826 15.430 -0.754) 15.704 3.821 ( 4.367 -2.150 0.770) 4.928 5.996 ( 3.538 3.881 0.721) 5.300 6.026 ( 0.355 4.419 0.363) 4.448 6.303 ( 0.546 -0.448 -2.678) 2.770 6.738 ( -6.834 3.847 1.022) 7.909 6.961 ( -0.404 -0.411 -0.714) 0.918 7.934 ( 2.975 -5.382 0.017) 6.150======================= Grid point 540 (202/344) =======================q-point: (-0.27 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.697 ( -3.775 5.557 1.103) 6.807 1.906 ( 0.602 0.287 -0.716) 0.978 2.028 ( 2.118 -1.631 -1.780) 3.212 2.414 ( -1.787 -1.607 1.589) 2.881 2.996 ( -8.920 15.065 -0.810) 17.526 3.853 ( 3.342 -5.104 1.150) 6.209 6.036 ( -1.584 0.205 0.476) 1.666 6.079 ( 0.647 2.879 0.925) 3.093 6.316 ( 3.172 -0.229 -2.860) 4.277 6.686 ( -6.693 8.584 2.261) 11.117 6.954 ( -0.126 -0.127 -1.421) 1.432 7.944 ( 4.300 -5.604 0.283) 7.069======================= Grid point 541 (203/344) =======================q-point: (-0.20 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.660 ( -5.864 2.772 1.202) 6.597 1.913 ( 0.323 -0.530 -0.103) 0.629 2.025 ( 0.776 -2.257 -2.064) 3.155 2.387 ( -1.104 -0.163 1.736) 2.064 2.936 ( -12.321 10.406 -0.746) 16.144 3.834 ( -0.803 -4.488 0.818) 4.632 5.991 ( -3.308 -0.951 0.879) 3.552 6.057 ( -4.136 -0.509 0.505) 4.198 6.382 ( 3.185 1.869 -2.994) 4.754 6.697 ( -2.689 9.347 1.256) 9.807 6.951 ( 1.508 -1.610 -0.613) 2.290 7.970 ( 4.580 -4.477 0.184) 6.407======================= Grid point 542 (204/344) =======================q-point: (-0.13 0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.567 ( -7.060 -0.425 1.940) 7.334 1.897 ( -2.021 -0.895 0.615) 2.294 2.000 ( -0.841 -1.352 -3.270) 3.637 2.371 ( -2.504 0.365 2.416) 3.499 2.811 ( -10.051 5.153 -0.762) 11.321 3.730 ( -8.120 -2.504 0.448) 8.509 5.899 ( -8.004 -0.397 0.945) 8.069 5.981 ( -2.170 -1.942 -0.073) 2.913 6.393 ( -3.099 1.709 -2.203) 4.168 6.789 ( 3.861 7.067 -2.316) 8.379 6.984 ( 4.968 -2.487 1.692) 5.808 8.013 ( 4.893 -2.783 -0.400) 5.643======================= Grid point 550 (205/344) =======================q-point: ( 0.40 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.420 ( -0.000 1.381 -2.125) 2.534 1.648 ( -0.000 12.421 -2.453) 12.661 1.888 ( -0.000 13.751 0.933) 13.782 1.932 ( -0.000 1.725 -1.701) 2.423 2.598 ( -0.000 1.868 -2.494) 3.116 3.144 ( -0.000 21.312 5.139) 21.923 5.484 ( -0.000 8.684 0.038) 8.684 6.053 ( -0.000 -2.071 -2.593) 3.319 6.194 ( 0.000 -1.116 0.041) 1.117 6.696 ( -0.000 0.471 -2.700) 2.741 7.433 ( 0.000 -13.762 1.630) 13.858 8.244 ( -0.000 -1.329 -3.623) 3.859======================= Grid point 551 (206/344) =======================q-point: ( 0.47 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.444 ( 2.165 1.896 -1.615) 3.300 1.735 ( -0.877 9.727 -5.473) 11.195 1.913 ( -1.134 1.994 -0.432) 2.334 2.092 ( 7.145 11.021 -0.325) 13.138 2.616 ( 1.601 -0.438 1.074) 1.977 3.385 ( 2.799 19.813 3.413) 20.298 5.598 ( 3.909 8.442 -0.083) 9.304 6.006 ( -2.582 -0.479 -3.002) 3.988 6.209 ( 2.050 0.375 -0.393) 2.121 6.702 ( 1.908 -1.862 -0.485) 2.710 7.293 ( -1.833 -12.423 0.707) 12.577 8.189 ( -3.890 -1.093 -3.064) 5.071======================= Grid point 552 (207/344) =======================q-point: ( 0.53 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.524 ( 4.481 3.107 0.640) 5.490 1.791 ( 0.406 7.085 -6.242) 9.451 1.917 ( -0.360 1.220 0.701) 1.453 2.324 ( 7.272 9.789 0.593) 12.209 2.656 ( 4.188 -0.584 1.699) 4.558 3.607 ( 2.635 14.434 1.401) 14.739 5.766 ( 6.026 8.234 0.188) 10.205 5.959 ( -2.388 1.524 -2.347) 3.679 6.254 ( 2.246 1.338 -1.546) 3.037 6.719 ( 3.078 -2.974 0.480) 4.307 7.147 ( -2.722 -9.956 0.358) 10.328 8.087 ( -5.972 -0.994 -2.301) 6.476======================= Grid point 553 (208/344) =======================q-point: ( 0.60 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.639 ( 4.298 4.048 1.615) 6.121 1.859 ( 2.465 5.031 -3.610) 6.665 1.922 ( -0.750 1.037 0.658) 1.439 2.462 ( 1.386 2.216 1.728) 3.133 2.800 ( 9.671 6.506 0.323) 11.660 3.742 ( 0.538 7.357 0.079) 7.377 5.925 ( 2.819 5.616 0.087) 6.284 5.962 ( 1.447 4.750 -0.784) 5.027 6.287 ( 1.024 0.378 -2.321) 2.565 6.760 ( 4.235 -1.073 0.399) 4.387 7.023 ( -2.643 -6.367 0.578) 6.918 7.972 ( -5.367 -1.600 -1.462) 5.788======================= Grid point 554 (209/344) =======================q-point: ( 0.67 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.740 ( 2.049 5.012 1.072) 5.520 1.916 ( -0.526 -0.003 0.175) 0.554 1.936 ( 2.450 2.570 -1.026) 3.696 2.461 ( -1.018 -1.775 1.148) 2.346 3.051 ( 7.874 12.528 -0.021) 14.797 3.768 ( -0.939 -0.534 -0.179) 1.095 5.988 ( 1.701 3.910 0.277) 4.273 6.057 ( 1.811 4.651 0.211) 4.996 6.278 ( -0.152 -1.933 -2.218) 2.946 6.829 ( 1.586 3.286 0.250) 3.657 6.954 ( -0.466 -2.302 0.470) 2.395 7.879 ( -2.363 -3.177 -0.691) 4.020======================= Grid point 555 (210/344) =======================q-point: ( 0.73 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.805 ( -1.341 5.857 0.957) 6.084 1.906 ( -0.461 -0.050 -0.088) 0.472 1.971 ( 1.847 -2.038 -0.712) 2.841 2.426 ( -1.175 -1.539 0.693) 2.056 3.252 ( -1.891 15.927 -0.331) 16.042 3.728 ( 2.425 -7.849 0.315) 8.221 6.041 ( 0.410 0.839 0.407) 1.019 6.117 ( 0.501 4.572 1.086) 4.726 6.251 ( 1.480 -2.922 -2.361) 4.038 6.857 ( -3.168 6.049 1.608) 7.015 6.954 ( 0.144 0.126 -1.147) 1.163 7.836 ( 1.774 -4.255 -0.197) 4.614======================= Grid point 556 (211/344) =======================q-point: (-0.20 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.791 ( -5.881 2.737 1.032) 6.569 1.904 ( 0.273 0.028 -0.073) 0.284 1.978 ( 2.161 -1.904 -0.847) 3.002 2.402 ( -0.744 -0.558 0.891) 1.288 3.244 ( -13.057 9.333 -0.257) 16.052 3.741 ( 6.248 -5.576 0.226) 8.377 6.022 ( -2.120 -0.864 0.702) 2.395 6.126 ( -3.076 0.456 0.466) 3.145 6.301 ( 5.944 0.949 -2.286) 6.438 6.865 ( -4.828 7.502 1.723) 9.086 6.923 ( -1.130 -2.791 -1.094) 3.203 7.854 ( 4.403 -2.956 -0.294) 5.311======================= Grid point 557 (212/344) =======================q-point: (-0.13 0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.688 ( -7.234 -0.896 1.292) 7.403 1.908 ( -0.135 -0.110 0.174) 0.246 1.994 ( 0.321 0.631 -1.683) 1.826 2.396 ( -0.124 -0.057 1.875) 1.880 3.051 ( -14.312 0.682 0.012) 14.328 3.777 ( 0.466 -0.679 -0.213) 0.851 5.973 ( -3.037 -0.541 0.435) 3.116 6.050 ( -5.462 -0.785 0.086) 5.519 6.394 ( 3.303 1.000 -3.077) 4.623 6.819 ( -2.427 -0.692 0.156) 2.529 6.921 ( 1.090 1.090 1.115) 1.903 7.914 ( 4.689 -0.554 -0.846) 4.797======================= Grid point 566 (213/344) =======================q-point: ( 0.47 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.428 ( -0.000 1.208 -2.744) 2.998 1.794 ( -0.000 4.917 -9.929) 11.080 1.930 ( -0.000 1.237 -0.100) 1.241 2.138 ( -0.000 11.287 1.100) 11.340 2.603 ( 0.000 -1.494 4.134) 4.396 3.561 ( -0.000 18.448 2.489) 18.616 5.633 ( -0.000 6.697 -0.721) 6.736 6.020 ( -0.000 0.745 -4.534) 4.595 6.199 ( 0.000 1.523 0.641) 1.652 6.669 ( 0.000 -2.538 1.881) 3.159 7.192 ( 0.000 -11.463 -0.511) 11.474 8.207 ( -0.000 -0.647 -2.579) 2.658======================= Grid point 567 (214/344) =======================q-point: ( 0.53 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.469 ( 3.999 1.658 -1.343) 4.533 1.797 ( 1.047 1.564 -9.174) 9.365 1.951 ( -0.584 3.097 1.303) 3.410 2.297 ( 6.242 9.232 0.409) 11.152 2.604 ( 1.202 -2.577 4.369) 5.213 3.730 ( 0.321 14.306 1.074) 14.350 5.734 ( 5.159 5.687 -0.662) 7.707 6.004 ( -1.699 2.258 -4.012) 4.907 6.234 ( 1.460 2.152 0.011) 2.601 6.658 ( 1.213 -3.277 2.711) 4.422 7.081 ( -0.844 -9.247 -0.947) 9.334 8.162 ( -3.954 -0.254 -2.005) 4.441======================= Grid point 568 (215/344) =======================q-point: ( 0.60 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.576 ( 6.396 2.085 0.111) 6.729 1.826 ( 3.096 1.269 -4.450) 5.568 1.968 ( -1.275 2.948 0.698) 3.287 2.463 ( 2.677 3.646 1.050) 4.644 2.666 ( 9.402 0.810 1.980) 9.642 3.836 ( -1.513 8.888 -0.103) 9.017 5.893 ( 7.069 5.126 -0.473) 8.745 5.997 ( -1.128 3.559 -2.343) 4.408 6.272 ( 0.852 1.148 -0.720) 1.601 6.670 ( 3.681 -3.166 2.007) 5.254 6.990 ( -0.845 -5.898 -0.470) 5.977 8.067 ( -6.505 -0.022 -1.429) 6.660======================= Grid point 569 (216/344) =======================q-point: ( 0.67 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.703 ( 6.147 2.075 -0.057) 6.488 1.882 ( 2.681 0.348 -0.629) 2.776 1.972 ( -1.383 2.492 0.220) 2.858 2.469 ( -1.355 -1.392 0.841) 2.117 2.928 ( 15.599 5.332 0.518) 16.494 3.841 ( -4.891 3.330 -0.601) 5.947 6.010 ( 0.663 4.247 -0.356) 4.313 6.046 ( 4.069 3.176 -0.927) 5.245 6.271 ( -1.060 -0.790 -0.380) 1.376 6.747 ( 7.770 -1.176 0.335) 7.865 6.942 ( -0.343 -2.196 0.513) 2.281 7.947 ( -7.044 -0.325 -0.834) 7.101======================= Grid point 570 (217/344) =======================q-point: ( 0.73 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.816 ( 5.075 2.262 -0.337) 5.567 1.904 ( 0.501 -0.507 0.123) 0.723 1.962 ( -2.122 0.142 0.309) 2.149 2.432 ( -1.172 -1.378 0.021) 1.809 3.246 ( 15.198 6.166 0.309) 16.404 3.735 ( -8.608 -1.644 -0.410) 8.773 6.046 ( 0.314 1.199 -0.112) 1.244 6.132 ( 3.243 3.410 -0.473) 4.729 6.227 ( -2.435 -1.767 0.301) 3.023 6.878 ( 6.267 1.249 -0.852) 6.447 6.934 ( 0.637 -0.466 1.064) 1.325 7.836 ( -4.818 -0.770 -0.219) 4.884======================= Grid point 571 (218/344) =======================q-point: (-0.20 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.893 ( -3.422 -4.032 0.009) 5.288 1.903 ( 0.119 0.194 -0.025) 0.229 1.915 ( 2.893 3.379 0.016) 4.448 2.408 ( -0.608 -0.674 -0.000) 0.908 3.529 ( -10.028 -7.787 0.019) 12.696 3.531 ( 10.114 7.885 -0.019) 12.825 6.044 ( -0.621 -0.480 0.048) 0.786 6.165 ( -2.001 -2.917 -0.188) 3.542 6.229 ( 3.581 4.518 0.146) 5.766 6.910 ( -1.042 -1.862 -0.039) 2.134 6.964 ( 0.389 1.086 0.032) 1.154 7.795 ( 0.427 0.469 -0.000) 0.635======================= Grid point 572 (219/344) =======================q-point: (-0.13 0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.776 ( -5.400 -4.144 0.341) 6.815 1.906 ( 0.306 0.179 0.057) 0.359 1.992 ( 1.879 3.407 -0.235) 3.898 2.396 ( -0.117 -0.660 0.640) 0.926 3.255 ( -12.924 -8.572 0.207) 15.510 3.728 ( 5.950 4.657 -0.334) 7.563 6.023 ( -2.136 0.681 0.665) 2.339 6.101 ( -2.497 -2.482 -0.546) 3.563 6.331 ( 4.215 2.641 -1.140) 5.103 6.818 ( -3.752 -7.747 -0.113) 8.609 6.965 ( -1.469 2.134 0.724) 2.690 7.851 ( 3.704 2.874 -0.454) 4.710======================= Grid point 582 (220/344) =======================q-point: ( 0.53 0.53 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.441 ( -0.000 1.290 -1.380) 1.889 1.764 ( -0.000 0.085 -7.421) 7.421 1.991 ( 0.000 3.042 1.003) 3.203 2.322 ( -0.000 7.236 0.503) 7.253 2.580 ( 0.000 -3.432 4.269) 5.477 3.856 ( -0.000 11.370 0.192) 11.372 5.728 ( -0.000 3.705 -0.601) 3.753 6.033 ( -0.000 3.213 -4.139) 5.239 6.248 ( -0.000 2.735 0.465) 2.774 6.624 ( 0.000 -3.789 2.810) 4.717 7.004 ( 0.000 -7.053 -1.105) 7.139 8.190 ( -0.000 0.021 -1.592) 1.592======================= Grid point 583 (221/344) =======================q-point: ( 0.60 0.53 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.492 ( 4.781 1.256 -0.432) 4.962 1.776 ( 2.456 1.264 -2.884) 3.994 2.012 ( -0.733 2.166 0.713) 2.395 2.435 ( 5.493 4.909 -0.005) 7.367 2.562 ( 1.810 -3.745 2.726) 4.973 3.937 ( -1.109 7.133 -0.685) 7.251 5.811 ( 6.156 2.869 -0.297) 6.798 6.047 ( -1.199 4.016 -2.281) 4.771 6.277 ( 0.365 1.863 -0.063) 1.899 6.599 ( 1.247 -4.251 1.102) 4.565 6.948 ( -0.101 -3.878 -0.154) 3.883 8.154 ( -3.862 0.264 -1.208) 4.056======================= Grid point 584 (222/344) =======================q-point: ( 0.67 0.53 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.601 ( 6.824 0.619 -0.541) 6.873 1.840 ( 3.101 1.836 0.595) 3.652 2.014 ( -1.182 1.376 0.747) 1.962 2.479 ( -1.208 -1.512 -0.113) 1.938 2.699 ( 14.431 1.087 0.779) 14.493 3.945 ( -3.533 2.924 -1.092) 4.714 5.960 ( 7.869 2.045 -0.501) 8.146 6.058 ( -1.326 3.309 -0.348) 3.581 6.288 ( -0.655 0.714 0.291) 1.012 6.610 ( 5.147 -3.268 -0.800) 6.149 6.927 ( 0.206 -0.993 0.878) 1.341 8.066 ( -6.639 0.434 -0.782) 6.699======================= Grid point 585 (223/344) =======================q-point: (-0.27 -0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.716 ( 6.874 -0.502 -0.997) 6.964 1.892 ( 1.085 0.754 0.806) 1.548 2.003 ( -1.735 0.436 1.070) 2.084 2.437 ( -1.213 -1.578 -1.018) 2.235 2.984 ( 17.769 -0.121 0.566) 17.779 3.870 ( -6.814 0.245 -0.835) 6.870 6.048 ( 0.237 -0.865 -0.863) 1.245 6.088 ( 3.731 1.526 -0.130) 4.033 6.275 ( -2.135 1.609 1.779) 3.211 6.719 ( 10.297 -0.958 -1.510) 10.451 6.931 ( 0.043 -0.044 1.167) 1.169 7.948 ( -7.537 0.684 -0.191) 7.570======================= Grid point 586 (224/344) =======================q-point: (-0.20 -0.47 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.800 ( 5.039 -3.652 -1.054) 6.312 1.904 ( 0.047 0.342 0.064) 0.351 1.971 ( -2.312 0.824 0.776) 2.574 2.410 ( -0.504 -0.617 -0.991) 1.272 3.243 ( 14.890 -6.486 0.143) 16.242 3.742 ( -8.298 2.378 -0.063) 8.633 6.028 ( 0.267 -2.207 -0.884) 2.393 6.129 ( 1.620 -2.813 -0.302) 3.260 6.281 ( -1.465 5.398 2.482) 6.119 6.877 ( 8.580 -1.122 -1.149) 8.729 6.916 ( -1.617 -1.392 0.447) 2.180 7.851 ( -4.864 2.123 0.443) 5.326======================= Grid point 598 (225/344) =======================q-point: ( 0.60 0.60 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.461 ( -0.000 1.089 0.205) 1.108 1.772 ( -0.000 3.131 0.870) 3.250 2.036 ( 0.000 1.154 0.856) 1.437 2.416 ( -0.000 2.342 0.012) 2.342 2.522 ( 0.000 -3.918 0.781) 3.995 3.996 ( -0.000 3.605 -1.378) 3.859 5.776 ( -0.000 1.562 0.349) 1.601 6.096 ( -0.000 4.553 -0.317) 4.564 6.288 ( -0.000 0.934 -0.440) 1.033 6.547 ( -0.000 -4.360 -1.563) 4.631 6.925 ( 0.000 -1.235 1.043) 1.616 8.186 ( -0.000 0.281 -1.058) 1.095======================= Grid point 599 (226/344) =======================q-point: (-0.33 -0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.509 ( 4.264 0.494 0.274) 4.301 1.833 ( 1.640 4.224 3.587) 5.779 2.040 ( -0.627 0.338 1.348) 1.524 2.473 ( 0.215 -1.332 -1.640) 2.123 2.506 ( 7.750 -2.011 0.371) 8.015 3.996 ( -1.425 -0.253 -1.741) 2.264 5.845 ( 6.317 0.555 0.481) 6.359 6.120 ( -2.090 2.929 1.569) 3.925 6.296 ( 0.622 0.264 -0.130) 0.688 6.518 ( 1.909 -2.613 -3.482) 4.754 6.928 ( -0.012 0.941 1.713) 1.954 8.155 ( -3.691 0.388 -0.887) 3.816======================= Grid point 600 (227/344) =======================q-point: (-0.27 -0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.595 ( 5.943 -0.902 -0.524) 6.034 1.897 ( 0.509 2.431 2.450) 3.488 2.031 ( -1.122 -0.363 2.264) 2.553 2.432 ( -0.775 -2.120 -2.569) 3.419 2.697 ( 15.106 -1.870 0.632) 15.234 3.937 ( -3.075 -3.072 -1.494) 4.596 5.962 ( 6.938 -1.592 -0.359) 7.127 6.091 ( -2.431 -0.931 0.824) 2.730 6.316 ( 0.400 1.619 2.223) 2.779 6.564 ( 6.355 0.646 -3.036) 7.072 6.945 ( -0.416 1.827 1.477) 2.386 8.072 ( -6.339 0.626 -0.505) 6.390======================= Grid point 601 (228/344) =======================q-point: (-0.20 -0.40 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.671 ( 5.503 -3.497 -1.365) 6.662 1.911 ( -0.422 0.453 0.341) 0.707 2.007 ( -1.683 -0.843 2.247) 2.932 2.404 ( -0.023 -0.818 -2.280) 2.423 2.930 ( 15.445 -5.453 0.606) 16.391 3.840 ( -3.913 -3.153 -0.649) 5.067 5.999 ( 0.621 -3.345 -0.895) 3.518 6.060 ( 1.879 -3.905 -0.230) 4.340 6.354 ( 0.006 3.672 3.584) 5.131 6.709 ( 9.395 1.379 -1.531) 9.619 6.946 ( -1.958 1.184 0.556) 2.355 7.970 ( -6.529 1.581 0.187) 6.720======================= Grid point 614 (229/344) =======================q-point: (-0.33 -0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.481 ( 0.000 0.533 1.117) 1.238 1.885 ( 0.000 5.524 5.420) 7.739 2.051 ( 0.000 -0.220 2.802) 2.810 2.410 ( 0.000 -2.843 -0.247) 2.853 2.449 ( -0.000 -2.508 -3.328) 4.167 3.980 ( -0.000 -4.312 -2.170) 4.828 5.792 ( 0.000 -0.496 1.096) 1.203 6.174 ( 0.000 0.912 3.631) 3.743 6.273 ( -0.000 -1.862 -1.138) 2.183 6.481 ( -0.000 1.245 -4.604) 4.769 6.953 ( 0.000 2.856 1.981) 3.475 8.187 ( -0.000 0.471 -1.050) 1.151======================= Grid point 615 (230/344) =======================q-point: (-0.27 -0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.513 ( 2.985 -0.436 0.586) 3.073 1.933 ( -0.709 2.213 2.266) 3.245 2.053 ( -1.044 -0.351 5.044) 5.163 2.402 ( 0.851 -3.915 -3.032) 5.024 2.475 ( 8.469 -0.952 -0.400) 8.531 3.908 ( -0.609 -7.857 -2.055) 8.144 5.832 ( 5.400 -2.487 0.658) 5.981 6.130 ( -3.666 -2.768 0.935) 4.687 6.286 ( 3.211 -2.027 0.592) 3.843 6.522 ( 1.895 5.917 -1.829) 6.476 6.988 ( -0.660 4.062 1.414) 4.352 8.160 ( -3.534 0.739 -1.028) 3.753======================= Grid point 616 (231/344) =======================q-point: (-0.20 -0.33 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.557 ( 3.774 -2.859 -0.895) 4.819 1.922 ( -0.869 -1.226 -0.506) 1.586 2.031 ( -1.806 -1.669 4.253) 4.913 2.376 ( 1.084 -2.479 -2.958) 4.008 2.652 ( 12.734 -2.160 1.296) 12.981 3.809 ( -0.229 -9.467 -1.324) 9.562 5.891 ( 5.540 -5.706 -0.615) 7.977 6.042 ( -2.949 -3.269 -0.208) 4.408 6.336 ( 4.323 -1.373 1.622) 4.817 6.639 ( 4.021 7.561 1.217) 8.650 7.008 ( -2.233 4.144 0.169) 4.710 8.087 ( -5.730 1.361 -0.565) 5.916======================= Grid point 630 (232/344) =======================q-point: (-0.27 -0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.488 ( 0.000 -0.534 0.744) 0.916 1.944 ( -0.000 -2.140 -0.806) 2.286 2.085 ( 0.000 -0.397 6.251) 6.263 2.308 ( 0.000 -7.579 -0.119) 7.580 2.433 ( -0.000 4.295 -1.774) 4.647 3.806 ( 0.000 -12.522 -2.139) 12.704 5.758 ( 0.000 -3.912 0.784) 3.989 6.140 ( 0.000 -4.215 -0.128) 4.217 6.220 ( -0.000 -2.510 -0.840) 2.647 6.580 ( -0.000 8.599 1.786) 8.783 7.045 ( -0.000 5.806 0.748) 5.854 8.195 ( -0.000 1.184 -1.482) 1.897======================= Grid point 631 (233/344) =======================q-point: (-0.20 -0.27 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.490 ( 1.201 -2.304 -0.632) 2.674 1.898 ( -0.240 -5.231 -2.334) 5.733 2.055 ( -2.126 -3.180 3.188) 4.979 2.271 ( 4.222 -8.484 -1.249) 9.559 2.532 ( 4.499 6.589 2.553) 8.377 3.672 ( 1.263 -15.676 -1.596) 15.807 5.746 ( 3.843 -6.688 -0.123) 7.714 6.065 ( -3.095 -2.967 -1.124) 4.432 6.240 ( 4.223 -2.000 -0.234) 4.678 6.688 ( 1.512 8.904 4.733) 10.197 7.094 ( -1.705 6.715 -0.538) 6.949 8.176 ( -3.325 1.816 -1.501) 4.075======================= Grid point 646 (234/344) =======================q-point: (-0.20 -0.20 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.458 ( -0.000 -2.857 -1.451) 3.204 1.817 ( -0.000 -9.261 -4.766) 10.416 2.042 ( 0.000 -4.909 0.097) 4.910 2.131 ( 0.000 -10.583 0.824) 10.615 2.594 ( 0.000 9.517 4.607) 10.573 3.478 ( 0.000 -20.507 -1.157) 20.539 5.644 ( 0.000 -7.943 -0.237) 7.947 6.064 ( -0.000 -2.047 -2.322) 3.096 6.188 ( 0.000 -0.366 0.151) 0.396 6.773 ( 0.000 7.865 7.078) 10.581 7.181 ( -0.000 8.540 -1.493) 8.670 8.219 ( -0.000 2.487 -2.202) 3.322======================= Grid point 727 (235/344) =======================q-point: ( 0.20 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.520 ( 0.000 -0.000 20.132) 20.132 0.520 ( 0.000 -0.000 20.132) 20.132 1.031 ( 0.000 -0.000 39.820) 39.820 1.609 ( -0.000 0.000 -5.346) 5.346 1.609 ( -0.000 0.000 -5.346) 5.346 3.415 ( -0.000 0.000 -14.722) 14.722 5.069 ( 0.000 -0.000 1.361) 1.361 5.069 ( 0.000 -0.000 1.361) 1.361 6.364 ( -0.000 0.000 -0.748) 0.748 6.364 ( -0.000 0.000 -0.748) 0.748 8.207 ( 0.000 -0.000 2.068) 2.068 8.479 ( -0.000 0.000 -0.803) 0.803======================= Grid point 728 (236/344) =======================q-point: ( 0.27 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.550 ( 4.489 2.592 16.372) 17.173 0.755 ( 6.188 3.572 21.327) 22.492 1.349 ( 17.957 10.368 28.594) 35.321 1.639 ( 5.506 3.179 -7.335) 9.707 1.640 ( 2.755 1.590 -4.577) 5.574 3.090 ( -11.589 -6.691 -5.746) 14.563 5.101 ( 2.410 1.391 1.353) 3.094 5.856 ( 41.737 24.097 -26.854) 55.171 6.325 ( -3.050 -1.761 -1.090) 3.686 6.345 ( -1.468 -0.848 -0.755) 1.856 8.168 ( -5.351 -3.089 3.463) 7.083 8.374 ( -6.330 -3.654 0.163) 7.311======================= Grid point 729 (237/344) =======================q-point: ( 0.33 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.760 ( 10.074 5.816 9.310) 14.899 0.926 ( 5.028 2.903 17.567) 18.502 1.703 ( 7.177 4.143 1.443) 8.412 1.708 ( 4.504 2.600 -3.482) 6.259 1.953 ( 23.382 13.500 6.983) 27.888 2.932 ( -2.069 -1.194 -6.866) 7.269 5.182 ( 4.602 2.657 1.146) 5.436 6.203 ( -5.144 -2.970 -1.724) 6.185 6.300 ( -2.281 -1.317 -0.708) 2.727 6.497 ( 21.639 12.493 -18.794) 31.265 7.975 ( -12.151 -7.015 6.145) 15.317 8.265 ( -3.726 -2.151 -3.133) 5.323======================= Grid point 730 (238/344) =======================q-point: ( 0.40 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.009 ( 10.025 5.788 4.392) 12.381 1.093 ( 6.959 4.018 9.058) 12.109 1.824 ( 6.671 3.852 -2.075) 7.978 1.837 ( 5.355 3.091 -2.091) 6.527 2.456 ( 18.264 10.545 1.718) 21.159 2.960 ( 6.632 3.829 -1.946) 7.901 5.308 ( 6.418 3.706 0.814) 7.456 6.066 ( -6.099 -3.521 -1.379) 7.176 6.248 ( -2.041 -1.179 -0.578) 2.427 6.813 ( 11.123 6.422 -11.111) 16.983 7.698 ( -14.075 -8.126 5.309) 17.097 8.175 ( -3.398 -1.962 -3.306) 5.130======================= Grid point 731 (239/344) =======================q-point: ( 0.47 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.212 ( 7.487 4.323 1.258) 8.736 1.288 ( 9.011 5.203 2.745) 10.761 1.928 ( 3.465 2.001 -2.065) 4.503 1.989 ( 8.359 4.826 -0.761) 9.682 2.702 ( 5.132 2.963 -2.559) 6.455 3.232 ( 15.665 9.044 2.904) 18.320 5.463 ( 7.194 4.154 0.379) 8.316 5.948 ( -3.806 -2.198 -1.250) 4.570 6.214 ( -0.843 -0.487 -0.289) 1.016 6.943 ( 3.431 1.981 -8.441) 9.325 7.391 ( -14.565 -8.409 4.156) 17.324 8.112 ( -1.450 -0.837 -1.342) 2.145======================= Grid point 732 (240/344) =======================q-point: ( 0.53 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.349 ( 4.896 2.827 -0.388) 5.667 1.500 ( 9.682 5.590 -0.912) 11.217 1.986 ( 2.371 1.369 -1.600) 3.171 2.174 ( 8.048 4.647 -0.041) 9.293 2.732 ( -1.440 -0.831 -0.752) 1.824 3.571 ( 13.298 7.678 2.255) 15.520 5.616 ( 6.333 3.657 -0.213) 7.316 5.907 ( 0.622 0.359 -0.975) 1.211 6.212 ( 0.698 0.403 0.241) 0.842 6.919 ( -4.279 -2.471 -8.033) 9.431 7.108 ( -10.341 -5.971 4.072) 12.616 8.104 ( 0.580 0.335 0.579) 0.886======================= Grid point 733 (241/344) =======================q-point: ( 0.60 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.433 ( 3.008 1.737 -1.026) 3.622 1.701 ( 8.885 5.130 -3.699) 10.906 2.030 ( 2.070 1.195 -1.254) 2.699 2.329 ( 5.597 3.231 0.197) 6.466 2.648 ( -5.760 -3.325 0.750) 6.693 3.815 ( 8.138 4.698 2.107) 9.630 5.733 ( 4.227 2.441 -0.844) 4.953 5.971 ( 5.310 3.066 -0.933) 6.202 6.240 ( 1.365 0.788 0.872) 1.801 6.710 ( -11.032 -6.369 -1.635) 12.843 6.992 ( -2.294 -1.325 -0.558) 2.707 8.128 ( 1.079 0.623 1.310) 1.808======================= Grid point 734 (242/344) =======================q-point: ( 0.67 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.480 ( 1.579 0.912 -1.111) 2.135 1.863 ( 6.568 3.792 -5.059) 9.116 2.076 ( 2.698 1.558 -2.505) 3.998 2.413 ( 1.825 1.054 0.228) 2.120 2.504 ( -6.976 -4.028 2.379) 8.399 3.941 ( 2.571 1.484 2.451) 3.850 5.798 ( 1.912 1.104 -1.166) 2.497 6.123 ( 8.144 4.702 -2.071) 9.630 6.264 ( 0.282 0.163 1.227) 1.270 6.483 ( -8.973 -5.181 2.654) 10.696 6.965 ( -0.025 -0.014 -1.587) 1.588 8.151 ( 0.602 0.348 1.396) 1.560======================= Grid point 735 (243/344) =======================q-point: (-0.27 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.498 ( 0.356 0.206 -0.815) 0.913 1.949 ( 1.879 1.085 -2.003) 2.954 2.133 ( 2.744 1.584 -6.107) 6.880 2.389 ( -2.945 -1.700 3.422) 4.824 2.407 ( -2.436 -1.407 0.141) 2.817 3.938 ( -3.578 -2.066 2.441) 4.798 5.811 ( -0.526 -0.304 -1.011) 1.180 6.225 ( -2.217 -1.280 -1.611) 3.025 6.253 ( -1.511 -0.872 1.106) 2.065 6.413 ( 5.354 3.091 2.671) 6.734 6.982 ( 1.981 1.144 -1.266) 2.615 8.164 ( 0.283 0.163 1.598) 1.631======================= Grid point 736 (244/344) =======================q-point: (-0.20 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.492 ( -0.860 -0.497 -0.074) 0.996 1.934 ( -3.191 -1.842 1.596) 4.016 2.119 ( -2.517 -1.453 -1.584) 3.309 2.308 ( -6.415 -3.704 -0.123) 7.408 2.435 ( 6.205 3.582 -2.445) 7.571 3.789 ( -10.578 -6.107 1.815) 12.349 5.763 ( -3.691 -2.131 -0.421) 4.283 6.129 ( -4.457 -2.573 2.256) 5.619 6.214 ( -1.872 -1.081 0.526) 2.225 6.603 ( 9.487 5.477 -3.424) 11.477 7.049 ( 4.391 2.535 -0.113) 5.071 8.180 ( 0.884 0.511 2.087) 2.323======================= Grid point 743 (245/344) =======================q-point: ( 0.27 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.690 ( 0.000 13.088 14.496) 19.530 0.844 ( 0.000 13.527 16.584) 21.401 1.373 ( 0.000 11.223 32.326) 34.219 1.552 ( -0.000 -0.441 -7.849) 7.861 1.693 ( -0.000 10.264 -5.020) 11.426 3.072 ( -0.000 -13.308 -7.964) 15.509 5.101 ( 0.000 2.707 1.338) 3.020 5.774 ( -0.000 44.736 -22.140) 49.915 6.330 ( -0.000 -2.633 -1.353) 2.960 6.341 ( -0.000 -1.850 -0.761) 2.001 8.173 ( 0.000 -6.406 3.326) 7.218 8.385 ( 0.000 -5.827 -0.507) 5.849======================= Grid point 744 (246/344) =======================q-point: ( 0.33 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.848 ( -1.046 16.992 9.372) 19.434 1.010 ( -0.737 9.918 18.616) 21.106 1.581 ( 5.871 0.437 -7.478) 9.518 1.670 ( 8.980 7.724 12.121) 16.947 1.858 ( 8.366 18.766 2.999) 20.764 2.922 ( -2.218 -4.965 -8.536) 10.121 5.160 ( 2.489 4.126 1.248) 4.978 6.196 ( 6.368 8.017 -8.395) 13.241 6.301 ( 1.974 3.236 -4.651) 6.000 6.324 ( 4.010 7.255 -8.288) 11.722 8.052 ( -5.652 -11.353 5.254) 13.727 8.303 ( -3.638 -2.163 -2.793) 5.071======================= Grid point 745 (247/344) =======================q-point: ( 0.40 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.036 ( 1.562 15.666 6.115) 16.890 1.128 ( 0.136 8.145 13.185) 15.499 1.700 ( 8.342 2.360 -4.502) 9.769 1.829 ( 3.318 6.826 -0.920) 7.645 2.297 ( 16.435 16.559 4.541) 23.768 2.891 ( 3.752 1.575 -5.179) 6.586 5.268 ( 4.371 5.691 1.087) 7.258 6.117 ( -5.063 -4.731 -1.158) 7.025 6.268 ( -1.619 -1.449 -0.710) 2.286 6.648 ( 13.067 10.737 -12.237) 20.875 7.821 ( -9.883 -11.744 5.225) 16.214 8.210 ( -4.174 -1.725 -3.620) 5.788======================= Grid point 746 (248/344) =======================q-point: ( 0.47 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.208 ( 1.796 10.144 6.390) 12.123 1.272 ( 3.859 10.186 3.358) 11.399 1.852 ( 6.756 2.648 -1.962) 7.517 1.949 ( 4.352 7.646 -1.714) 8.963 2.623 ( 8.204 6.329 -2.565) 10.674 3.086 ( 13.270 9.687 1.645) 16.512 5.415 ( 5.476 7.013 0.868) 8.939 5.988 ( -4.629 -3.622 -0.957) 5.955 6.231 ( -1.401 -0.095 -0.697) 1.568 6.851 ( 7.096 2.949 -8.445) 11.418 7.541 ( -12.342 -10.477 4.023) 16.682 8.124 ( -2.588 -2.005 -2.130) 3.906======================= Grid point 747 (249/344) =======================q-point: ( 0.53 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.337 ( 2.157 7.072 3.276) 8.087 1.452 ( 5.335 9.936 0.382) 11.284 1.943 ( 3.436 0.976 -1.636) 3.929 2.124 ( 6.287 9.262 -0.420) 11.202 2.724 ( 1.824 0.826 -2.089) 2.893 3.431 ( 14.045 9.901 1.969) 17.296 5.578 ( 5.101 7.570 0.517) 9.143 5.908 ( -1.491 -1.261 -0.505) 2.017 6.220 ( -0.418 1.346 -0.473) 1.486 6.902 ( 1.019 -1.291 -7.813) 7.984 7.248 ( -12.508 -8.258 3.509) 15.394 8.084 ( 0.477 -2.007 0.064) 2.064======================= Grid point 748 (250/344) =======================q-point: ( 0.60 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.430 ( 1.192 5.488 0.810) 5.674 1.634 ( 5.913 8.344 -1.280) 10.306 1.994 ( 2.701 0.427 -1.290) 3.023 2.304 ( 4.595 8.586 0.250) 9.741 2.702 ( -3.349 -1.461 -0.768) 3.734 3.718 ( 10.274 6.242 1.663) 12.136 5.720 ( 3.120 7.200 -0.021) 7.847 5.920 ( 3.038 1.392 -0.159) 3.345 6.239 ( 0.591 2.071 0.013) 2.154 6.807 ( -7.157 -4.443 -5.138) 9.868 7.034 ( -5.964 -3.700 1.818) 7.250 8.093 ( 2.393 -2.168 1.204) 3.446======================= Grid point 749 (251/344) =======================q-point: ( 0.67 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.488 ( 0.078 4.348 -0.244) 4.355 1.792 ( 5.393 5.898 -3.581) 8.758 2.038 ( 2.553 0.486 -1.351) 2.929 2.427 ( 1.313 5.830 0.725) 6.020 2.598 ( -6.777 -0.887 0.109) 6.836 3.897 ( 5.630 2.344 2.106) 6.452 5.814 ( 0.499 6.365 -0.532) 6.407 6.025 ( 6.743 2.723 -0.606) 7.298 6.270 ( 0.582 1.746 0.460) 1.897 6.604 ( -9.818 -3.874 0.355) 10.560 6.965 ( -1.092 -0.890 -1.167) 1.829 8.118 ( 2.582 -2.483 1.350) 3.828======================= Grid point 750 (252/344) =======================q-point: (-0.27 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.516 ( -0.935 3.259 -0.550) 3.435 1.901 ( 4.011 2.527 -3.796) 6.073 2.080 ( 2.513 0.492 -3.443) 4.291 2.436 ( -3.146 -2.230 2.809) 4.771 2.511 ( -6.161 6.899 -0.253) 9.253 3.959 ( 0.226 -1.126 2.419) 2.678 5.855 ( -2.074 5.142 -0.710) 5.590 6.149 ( 5.074 -1.144 -1.574) 5.434 6.298 ( 0.672 3.024 -0.638) 3.163 6.449 ( -5.770 0.079 4.194) 7.133 6.958 ( 1.041 0.325 -1.630) 1.962 8.135 ( 2.142 -2.703 1.315) 3.691======================= Grid point 751 (253/344) =======================q-point: (-0.20 0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.517 ( -1.797 1.889 -0.329) 2.628 1.944 ( 0.585 -0.726 -0.566) 1.091 2.097 ( 1.113 -1.569 -5.052) 5.406 2.376 ( -2.773 -1.319 2.850) 4.190 2.477 ( -5.625 7.895 -0.868) 9.732 3.890 ( -6.444 -4.186 2.123) 7.972 5.837 ( -4.790 2.956 -0.457) 5.647 6.132 ( -1.164 -5.240 0.391) 5.382 6.289 ( -4.418 2.147 0.081) 4.913 6.514 ( 6.696 6.095 -0.004) 9.054 6.998 ( 3.452 1.091 -0.986) 3.752 8.149 ( 2.249 -2.552 1.489) 3.713======================= Grid point 759 (254/344) =======================q-point: ( 0.33 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.054 ( 0.000 16.634 7.628) 18.300 1.189 ( 0.000 12.856 12.715) 18.081 1.514 ( -0.000 2.291 -9.609) 9.878 1.707 ( 0.000 8.473 12.961) 15.485 1.993 ( -0.000 21.569 3.210) 21.807 2.864 ( -0.000 -4.166 -8.798) 9.734 5.188 ( -0.000 5.558 1.093) 5.664 6.195 ( -0.000 0.511 -2.129) 2.190 6.290 ( 0.000 -2.904 -0.633) 2.972 6.361 ( -0.000 18.362 -14.185) 23.203 7.987 ( 0.000 -14.110 4.861) 14.924 8.307 ( -0.000 -1.746 -3.701) 4.092======================= Grid point 760 (255/344) =======================q-point: ( 0.40 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.213 ( -1.159 16.272 3.064) 16.599 1.290 ( -3.526 8.557 10.744) 14.181 1.594 ( 6.681 6.343 -5.371) 10.663 1.838 ( 3.148 6.303 2.255) 7.398 2.283 ( 7.755 20.397 3.290) 22.069 2.839 ( 2.311 1.801 -5.019) 5.811 5.273 ( 2.652 6.972 0.986) 7.524 6.136 ( -3.100 -4.916 -0.982) 5.894 6.261 ( -0.031 -2.371 -0.610) 2.448 6.559 ( 7.120 13.095 -10.172) 18.045 7.824 ( -4.237 -14.540 4.439) 15.782 8.251 ( -3.381 -1.435 -4.298) 5.654======================= Grid point 761 (256/344) =======================q-point: ( 0.47 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.339 ( -1.386 6.797 7.474) 10.197 1.356 ( -0.163 14.797 -0.447) 14.805 1.775 ( 6.632 6.680 -0.167) 9.414 1.950 ( 3.864 6.961 -2.144) 8.245 2.560 ( 6.718 8.873 -2.701) 11.452 2.998 ( 9.678 11.822 1.812) 15.385 5.411 ( 4.515 8.496 1.013) 9.675 6.023 ( -4.272 -4.147 -1.105) 6.056 6.241 ( -0.230 -0.736 -0.929) 1.208 6.742 ( 6.972 4.371 -6.379) 10.412 7.604 ( -7.374 -13.117 3.551) 15.461 8.156 ( -4.370 -1.849 -3.512) 5.904======================= Grid point 762 (257/344) =======================q-point: ( 0.53 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.416 ( -0.069 7.288 6.305) 9.637 1.497 ( 2.084 12.210 -2.220) 12.584 1.894 ( 3.204 1.971 -0.401) 3.783 2.122 ( 6.200 11.197 -0.793) 12.824 2.684 ( 3.689 2.414 -2.587) 5.111 3.323 ( 12.119 12.826 1.956) 17.754 5.582 ( 4.935 9.565 1.029) 10.812 5.927 ( -2.836 -2.040 -0.634) 3.551 6.237 ( -0.085 1.200 -1.196) 1.697 6.831 ( 3.662 -0.631 -5.414) 6.567 7.356 ( -9.534 -10.438 2.691) 14.390 8.069 ( -2.171 -2.674 -1.510) 3.761======================= Grid point 763 (258/344) =======================q-point: ( 0.60 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.497 ( -0.394 7.141 3.493) 7.959 1.647 ( 3.388 10.139 -0.940) 10.731 1.946 ( 2.664 0.108 -1.008) 2.851 2.325 ( 4.728 10.769 0.533) 11.773 2.726 ( -0.012 1.323 -1.543) 2.033 3.616 ( 10.177 8.084 1.022) 13.037 5.750 ( 3.545 9.474 0.898) 10.155 5.899 ( 0.641 0.623 0.063) 0.896 6.254 ( 0.283 2.346 -1.207) 2.654 6.825 ( -1.043 -2.270 -5.146) 5.720 7.122 ( -8.788 -6.592 2.271) 11.218 8.030 ( 1.281 -3.706 0.250) 3.929======================= Grid point 764 (259/344) =======================q-point: ( 0.67 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.556 ( -1.264 6.582 1.595) 6.889 1.783 ( 2.775 7.334 -1.282) 7.946 1.990 ( 3.034 -0.168 -1.007) 3.201 2.460 ( 1.500 4.659 1.150) 5.028 2.715 ( -4.190 6.059 -1.369) 7.493 3.816 ( 7.292 2.794 1.257) 7.909 5.877 ( 1.234 8.244 0.670) 8.363 5.958 ( 4.068 2.559 0.243) 4.812 6.279 ( 0.476 1.947 -1.005) 2.242 6.721 ( -7.292 -1.746 -1.835) 7.719 6.983 ( -3.180 -2.171 0.165) 3.854 8.033 ( 3.372 -4.561 0.898) 5.743======================= Grid point 765 (260/344) =======================q-point: ( 0.73 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.589 ( -2.336 5.751 0.740) 6.251 1.869 ( 2.110 3.557 -2.380) 4.772 2.034 ( 2.581 -0.008 -1.672) 3.075 2.463 ( -1.953 -2.279 1.743) 3.471 2.715 ( -6.690 12.646 -0.992) 14.341 3.920 ( 3.783 -1.334 1.796) 4.396 5.951 ( -1.575 7.114 0.437) 7.299 6.059 ( 4.982 0.937 -0.341) 5.081 6.300 ( 0.968 1.203 -1.204) 1.958 6.585 ( -7.946 1.905 1.896) 8.388 6.948 ( -0.233 -0.038 -1.420) 1.440 8.051 ( 3.771 -4.989 0.899) 6.318======================= Grid point 766 (261/344) =======================q-point: (-0.20 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.591 ( -3.470 4.279 0.463) 5.528 1.915 ( 1.766 0.586 -1.726) 2.538 2.054 ( 1.104 -1.153 -3.156) 3.536 2.409 ( -2.104 -1.665 2.712) 3.815 2.703 ( -9.178 12.262 -0.878) 15.341 3.923 ( -1.200 -3.851 1.776) 4.407 5.959 ( -4.541 4.683 0.451) 6.539 6.096 ( 0.328 -3.050 -0.264) 3.079 6.337 ( 1.423 1.911 -2.679) 3.585 6.538 ( -2.496 6.640 3.042) 7.718 6.957 ( 1.658 0.288 -1.390) 2.183 8.067 ( 3.638 -4.900 0.804) 6.156======================= Grid point 775 (262/344) =======================q-point: ( 0.40 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.383 ( -0.000 2.393 -0.027) 2.393 1.383 ( -0.000 14.523 1.810) 14.635 1.623 ( -0.000 13.307 -0.598) 13.320 1.871 ( 0.000 4.708 1.399) 4.912 2.417 ( -0.000 17.027 -0.121) 17.027 2.850 ( -0.000 8.275 -0.138) 8.276 5.323 ( -0.000 7.845 0.566) 7.866 6.114 ( -0.000 -4.668 -1.528) 4.912 6.231 ( 0.000 -2.649 -0.294) 2.665 6.595 ( -0.000 9.946 -6.183) 11.711 7.723 ( 0.000 -15.416 3.446) 15.796 8.256 ( -0.000 -1.250 -4.695) 4.858======================= Grid point 776 (263/344) =======================q-point: ( 0.47 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.397 ( 0.585 2.697 -1.523) 3.152 1.504 ( -1.128 12.632 -1.559) 12.778 1.788 ( 2.824 11.657 2.820) 12.321 1.934 ( 3.668 4.494 -2.835) 6.456 2.556 ( 2.623 7.374 -2.186) 8.126 3.023 ( 4.724 17.291 4.029) 18.372 5.430 ( 3.217 8.710 0.415) 9.294 6.041 ( -2.850 -3.748 -2.050) 5.135 6.219 ( 1.027 -1.457 -0.491) 1.849 6.684 ( 3.330 4.181 -2.810) 6.039 7.560 ( -2.859 -14.701 2.454) 15.176 8.200 ( -3.523 -1.210 -4.305) 5.692======================= Grid point 777 (264/344) =======================q-point: ( 0.53 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.459 ( 2.884 3.969 1.362) 5.092 1.594 ( -0.412 11.233 -3.991) 11.928 1.886 ( 0.798 2.956 1.142) 3.268 2.112 ( 7.813 11.349 -1.069) 13.820 2.644 ( 3.119 2.587 -0.931) 4.157 3.307 ( 7.204 16.752 2.655) 18.427 5.593 ( 5.265 9.542 0.556) 10.912 5.956 ( -3.058 -1.830 -1.696) 3.947 6.232 ( 1.266 0.398 -1.125) 1.740 6.754 ( 3.456 -0.302 -1.555) 3.802 7.369 ( -4.782 -12.623 1.666) 13.601 8.103 ( -4.846 -1.560 -3.024) 5.921======================= Grid point 778 (265/344) =======================q-point: ( 0.60 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.558 ( 2.365 5.035 3.095) 6.366 1.696 ( 1.917 9.986 -3.279) 10.684 1.915 ( 0.931 0.467 0.029) 1.042 2.341 ( 5.970 10.401 0.567) 12.006 2.716 ( 3.244 2.532 -0.493) 4.145 3.565 ( 6.644 11.052 0.851) 12.923 5.775 ( 4.946 9.461 0.750) 10.702 5.909 ( -1.069 0.702 -0.743) 1.479 6.259 ( 1.067 1.612 -1.633) 2.530 6.786 ( 2.058 -1.500 -1.756) 3.094 7.178 ( -5.863 -9.202 1.288) 10.987 8.008 ( -3.049 -2.623 -1.336) 4.238======================= Grid point 779 (266/344) =======================q-point: ( 0.67 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.639 ( 0.155 5.977 1.976) 6.297 1.817 ( 2.058 7.787 -0.749) 8.089 1.936 ( 2.168 -0.636 -0.576) 2.332 2.472 ( 1.480 2.560 0.975) 3.114 2.817 ( 2.029 9.990 -0.816) 10.227 3.738 ( 5.354 3.908 0.381) 6.639 5.913 ( 2.203 4.952 0.736) 5.470 5.947 ( 2.494 5.691 0.302) 6.221 6.281 ( 0.539 0.961 -1.787) 2.100 6.786 ( -1.254 0.717 -1.555) 2.122 7.022 ( -4.565 -4.679 0.831) 6.589 7.951 ( 0.431 -4.291 -0.083) 4.313======================= Grid point 780 (267/344) =======================q-point: ( 0.73 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.690 ( -1.728 6.373 1.329) 6.736 1.882 ( -0.048 3.236 -0.637) 3.299 1.981 ( 3.294 -0.034 -0.868) 3.406 2.469 ( -1.111 -2.250 0.822) 2.640 2.940 ( -2.977 15.685 -0.818) 15.986 3.828 ( 4.773 -2.381 0.859) 5.403 6.002 ( 3.632 3.473 0.625) 5.064 6.030 ( 0.234 4.927 0.768) 4.992 6.284 ( 0.582 -0.828 -1.851) 2.109 6.745 ( -6.065 4.645 0.641) 7.666 6.954 ( -1.011 -0.689 -0.840) 1.484 7.936 ( 3.231 -5.667 0.370) 6.534======================= Grid point 781 (268/344) =======================q-point: (-0.20 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.706 ( -3.886 5.630 1.158) 6.938 1.900 ( 0.440 0.833 -0.850) 1.268 2.014 ( 1.654 -1.376 -1.520) 2.634 2.427 ( -1.375 -1.848 1.394) 2.693 2.989 ( -8.970 15.201 -0.747) 17.666 3.862 ( 3.516 -5.451 1.083) 6.577 6.041 ( -1.237 0.011 0.766) 1.455 6.085 ( 0.132 3.441 0.542) 3.486 6.293 ( 2.919 -0.531 -2.469) 3.859 6.704 ( -6.401 8.486 2.001) 10.816 6.942 ( -0.080 -0.085 -1.419) 1.424 7.946 ( 4.407 -5.877 0.257) 7.350======================= Grid point 791 (269/344) =======================q-point: ( 0.47 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.393 ( -0.000 1.379 -4.189) 4.410 1.617 ( -0.000 10.369 -5.099) 11.555 1.901 ( -0.000 13.633 2.094) 13.793 1.911 ( -0.000 0.988 -2.912) 3.076 2.591 ( -0.000 4.186 0.623) 4.232 3.185 ( -0.000 20.650 4.468) 21.128 5.483 ( -0.000 8.389 -0.206) 8.392 6.027 ( -0.000 -2.723 -3.513) 4.445 6.195 ( 0.000 -0.901 0.261) 0.938 6.686 ( -0.000 1.916 0.495) 1.979 7.445 ( 0.000 -14.658 1.172) 14.705 8.210 ( -0.000 -0.751 -4.209) 4.276======================= Grid point 792 (270/344) =======================q-point: ( 0.53 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.426 ( 3.382 2.152 -2.503) 4.726 1.678 ( -0.247 7.789 -7.803) 11.028 1.911 ( -0.289 1.809 0.022) 1.832 2.092 ( 6.605 11.811 0.385) 13.538 2.631 ( 1.051 1.378 2.479) 3.024 3.412 ( 2.393 18.869 2.806) 19.226 5.597 ( 4.159 8.183 -0.344) 9.185 5.978 ( -1.983 -0.949 -3.569) 4.192 6.207 ( 1.488 0.482 -0.080) 1.566 6.709 ( 1.446 -0.818 2.119) 2.693 7.297 ( -1.630 -13.217 0.211) 13.319 8.161 ( -3.731 -0.505 -3.433) 5.095======================= Grid point 793 (271/344) =======================q-point: ( 0.60 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.528 ( 5.677 2.949 0.235) 6.402 1.737 ( 1.841 6.610 -6.278) 9.300 1.924 ( -0.494 1.642 0.845) 1.911 2.327 ( 7.605 10.084 0.256) 12.633 2.673 ( 3.120 0.156 2.244) 3.847 3.617 ( 2.229 13.800 0.922) 14.009 5.766 ( 6.351 7.998 -0.193) 10.214 5.938 ( -1.621 1.327 -2.475) 3.242 6.244 ( 1.690 1.345 -0.766) 2.292 6.730 ( 2.242 -2.157 2.017) 3.708 7.149 ( -2.323 -10.505 -0.093) 10.759 8.067 ( -5.670 -0.613 -2.282) 6.143======================= Grid point 794 (272/344) =======================q-point: ( 0.67 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.649 ( 4.625 3.449 0.716) 5.814 1.833 ( 3.768 5.497 -2.541) 7.132 1.927 ( -1.063 1.212 0.589) 1.717 2.473 ( 1.465 2.426 0.835) 2.955 2.804 ( 9.026 6.602 0.622) 11.200 3.742 ( 0.437 7.022 -0.099) 7.037 5.924 ( 2.618 4.948 -0.377) 5.610 5.956 ( 2.636 5.111 -0.681) 5.791 6.273 ( 0.660 0.546 -0.944) 1.274 6.765 ( 3.389 -0.542 0.833) 3.532 7.027 ( -2.258 -6.596 0.203) 6.975 7.961 ( -4.996 -1.502 -1.114) 5.335======================= Grid point 795 (273/344) =======================q-point: ( 0.73 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.747 ( 2.320 4.540 0.383) 5.113 1.917 ( -0.426 -0.223 0.072) 0.486 1.930 ( 2.322 3.234 -0.366) 3.998 2.468 ( -1.112 -1.933 0.398) 2.265 3.051 ( 7.592 12.756 -0.009) 14.845 3.767 ( -0.659 -0.754 -0.064) 1.003 5.990 ( 2.041 3.885 0.096) 4.390 6.058 ( 2.212 4.382 0.082) 4.909 6.265 ( -0.559 -1.573 -0.784) 1.844 6.830 ( 1.857 3.396 0.093) 3.871 6.956 ( -0.981 -2.227 0.154) 2.439 7.875 ( -2.063 -3.247 -0.245) 3.855======================= Grid point 796 (274/344) =======================q-point: ( 0.80 0.47 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.812 ( -1.014 5.647 0.713) 5.782 1.906 ( -0.596 0.087 -0.123) 0.614 1.966 ( 1.521 -1.859 -0.548) 2.464 2.430 ( -0.945 -1.722 0.360) 1.997 3.249 ( -2.118 16.104 -0.349) 16.246 3.731 ( 2.721 -8.070 0.396) 8.526 6.044 ( 0.558 0.835 0.335) 1.059 6.126 ( 0.882 4.652 0.885) 4.817 6.235 ( 0.813 -2.912 -1.512) 3.380 6.869 ( -2.620 6.022 1.312) 6.697 6.944 ( -0.336 0.198 -1.204) 1.266 7.836 ( 1.830 -4.372 0.011) 4.739======================= Grid point 807 (275/344) =======================q-point: ( 0.53 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.404 ( -0.000 1.877 -2.923) 3.474 1.705 ( -0.000 3.917 -10.847) 11.532 1.935 ( 0.000 2.703 1.059) 2.903 2.148 ( -0.000 10.924 1.206) 10.990 2.639 ( 0.000 -0.618 4.251) 4.295 3.579 ( -0.000 17.464 1.789) 17.555 5.627 ( -0.000 6.578 -0.708) 6.616 5.980 ( -0.000 0.513 -4.633) 4.661 6.205 ( 0.000 1.601 0.603) 1.711 6.695 ( 0.000 -2.086 4.016) 4.526 7.186 ( 0.000 -12.053 -0.933) 12.089 8.183 ( -0.000 0.012 -3.046) 3.046======================= Grid point 808 (276/344) =======================q-point: ( 0.60 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.458 ( 4.683 2.123 -1.246) 5.290 1.725 ( 2.155 3.084 -7.790) 8.651 1.962 ( -0.665 2.975 1.287) 3.309 2.300 ( 5.990 9.071 0.393) 10.877 2.639 ( 0.745 -2.536 3.922) 4.730 3.736 ( 0.175 13.565 0.374) 13.572 5.728 ( 5.240 5.690 -0.602) 7.758 5.971 ( -1.112 2.446 -3.747) 4.611 6.235 ( 1.047 2.149 0.182) 2.397 6.686 ( 0.872 -3.497 3.825) 5.255 7.072 ( -0.636 -9.384 -1.132) 9.474 8.144 ( -3.859 0.289 -2.310) 4.507======================= Grid point 809 (277/344) =======================q-point: ( 0.67 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.575 ( 6.681 1.928 -0.435) 6.967 1.795 ( 4.149 3.129 -2.862) 5.932 1.974 ( -1.423 2.668 0.835) 3.137 2.469 ( 3.233 3.868 0.217) 5.046 2.684 ( 8.266 0.138 2.146) 8.541 3.833 ( -1.566 8.470 -0.603) 8.635 5.888 ( 7.084 5.078 -0.632) 8.739 5.978 ( -0.508 3.993 -1.992) 4.492 6.269 ( 0.645 1.343 0.036) 1.490 6.688 ( 3.195 -3.951 2.059) 5.482 6.987 ( -0.553 -5.572 -0.315) 5.609 8.054 ( -6.339 0.332 -1.475) 6.517======================= Grid point 810 (278/344) =======================q-point: ( 0.73 0.53 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.699 ( 6.262 1.755 -0.790) 6.551 1.879 ( 2.997 1.111 0.060) 3.197 1.975 ( -1.550 2.620 0.563) 3.096 2.472 ( -1.431 -1.811 0.018) 2.309 2.933 ( 15.364 5.290 0.730) 16.266 3.835 ( -4.746 3.164 -0.797) 5.759 6.007 ( 0.898 4.580 -0.542) 4.698 6.038 ( 4.279 2.922 -0.946) 5.267 6.273 ( -1.158 -0.245 0.810) 1.434 6.748 ( 7.398 -1.952 -0.179) 7.654 6.947 ( -0.150 -1.800 0.768) 1.962 7.941 ( -6.838 -0.111 -0.658) 6.871======================= Grid point 823 (279/344) =======================q-point: ( 0.60 0.60 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.431 ( -0.000 1.945 -0.894) 2.140 1.712 ( -0.000 2.952 -4.883) 5.706 2.000 ( 0.000 2.737 1.124) 2.959 2.326 ( -0.000 6.996 0.390) 7.006 2.612 ( 0.000 -4.219 3.332) 5.377 3.854 ( -0.000 10.735 -0.621) 10.753 5.724 ( -0.000 3.951 -0.236) 3.958 6.001 ( -0.000 4.073 -3.213) 5.188 6.251 ( -0.000 2.497 0.095) 2.498 6.648 ( 0.000 -5.185 2.812) 5.898 6.996 ( 0.000 -6.463 -0.778) 6.509 8.175 ( -0.000 0.499 -1.954) 2.016======================= Grid point 824 (280/344) =======================q-point: ( 0.67 0.60 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.489 ( 4.709 1.553 -0.305) 4.968 1.762 ( 2.714 3.900 -0.447) 4.772 2.019 ( -0.788 2.099 0.951) 2.435 2.435 ( 5.303 4.678 -0.199) 7.074 2.582 ( 1.789 -4.794 1.941) 5.473 3.928 ( -1.066 6.731 -1.405) 6.958 5.810 ( 5.964 3.128 -0.008) 6.735 6.032 ( -0.997 5.270 -1.375) 5.537 6.276 ( 0.424 1.698 -0.209) 1.763 6.605 ( 1.304 -6.144 0.342) 6.290 6.949 ( -0.081 -3.024 0.505) 3.067 8.143 ( -3.779 0.598 -1.474) 4.100======================= Grid point 825 (281/344) =======================q-point: (-0.27 -0.40 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.596 ( 6.562 0.648 -0.778) 6.639 1.851 ( 2.746 3.041 1.770) 4.463 2.022 ( -1.235 1.684 1.194) 2.406 2.474 ( -1.116 -2.246 -0.955) 2.684 2.707 ( 14.315 0.769 0.968) 14.368 3.934 ( -3.337 2.770 -1.573) 4.614 5.955 ( 7.457 2.121 -0.519) 7.770 6.057 ( -1.409 4.225 0.060) 4.454 6.292 ( -0.188 1.037 0.739) 1.287 6.600 ( 5.390 -4.604 -1.524) 7.250 6.937 ( 0.160 -0.551 1.314) 1.434 8.058 ( -6.462 0.655 -0.909) 6.558======================= Grid point 839 (282/344) =======================q-point: (-0.33 -0.33 -0.80)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.464 ( 0.000 1.499 0.635) 1.628 1.789 ( 0.000 5.559 3.066) 6.348 2.045 ( 0.000 1.384 1.280) 1.885 2.416 ( -0.000 2.216 -0.086) 2.218 2.525 ( 0.000 -5.480 -0.141) 5.482 3.981 ( -0.000 3.339 -2.090) 3.939 5.781 ( 0.000 1.865 0.742) 2.007 6.098 ( -0.000 6.418 0.691) 6.455 6.282 ( -0.000 0.659 -0.839) 1.067 6.529 ( -0.000 -6.403 -2.574) 6.901 6.936 ( 0.000 -0.580 1.608) 1.709 8.176 ( -0.000 0.491 -1.383) 1.468======================= Grid point 840 (283/344) =======================q-point: (-0.27 -0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.512 ( 3.778 0.714 0.445) 3.871 1.867 ( 0.967 5.109 4.214) 6.693 2.056 ( -0.663 1.079 2.292) 2.619 2.457 ( -0.100 -2.648 -2.233) 3.466 2.509 ( 8.362 -2.080 0.304) 8.622 3.979 ( -1.272 -0.336 -2.267) 2.621 5.849 ( 5.935 0.724 0.646) 6.013 6.135 ( -2.712 3.768 1.824) 4.988 6.295 ( 1.353 0.876 0.111) 1.615 6.485 ( 2.414 -3.802 -4.167) 6.135 6.944 ( -0.137 1.100 1.847) 2.154 8.146 ( -3.565 0.490 -1.190) 3.791======================= Grid point 855 (284/344) =======================q-point: (-0.27 -0.27 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.490 ( 0.000 0.576 1.058) 1.204 1.924 ( 0.000 4.341 3.853) 5.805 2.084 ( 0.000 1.724 5.039) 5.326 2.408 ( 0.000 -2.861 -0.214) 2.869 2.419 ( -0.000 -3.493 -3.658) 5.058 3.960 ( -0.000 -4.276 -2.522) 4.964 5.801 ( 0.000 -0.475 1.155) 1.248 6.203 ( 0.000 0.182 3.225) 3.230 6.263 ( -0.000 -1.872 -1.229) 2.240 6.443 ( -0.000 2.853 -4.316) 5.174 6.969 ( 0.000 2.635 1.744) 3.160 8.177 ( -0.000 0.452 -1.441) 1.510======================= Grid point 968 (285/344) =======================q-point: ( 0.27 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.687 ( 0.000 -0.000 19.421) 19.421 0.687 ( 0.000 -0.000 19.421) 19.421 1.361 ( 0.000 -0.000 38.406) 38.406 1.556 ( -0.000 0.000 -7.327) 7.327 1.556 ( -0.000 0.000 -7.327) 7.327 3.273 ( -0.000 0.000 -18.899) 18.899 5.081 ( 0.000 -0.000 1.419) 1.419 5.081 ( 0.000 -0.000 1.419) 1.419 6.358 ( -0.000 0.000 -0.780) 0.780 6.358 ( -0.000 0.000 -0.780) 0.780 8.225 ( 0.000 -0.000 2.310) 2.310 8.472 ( -0.000 0.000 -0.993) 0.993======================= Grid point 969 (286/344) =======================q-point: ( 0.33 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.695 ( 2.141 1.236 17.800) 17.971 0.929 ( 7.352 4.245 19.915) 21.649 1.563 ( 4.478 2.585 -4.718) 7.000 1.594 ( 3.372 1.947 -6.456) 7.540 1.601 ( 12.725 7.347 24.969) 28.972 3.015 ( -10.301 -5.947 -11.910) 16.832 5.112 ( 2.355 1.359 1.297) 3.012 5.677 ( 37.712 21.773 -16.338) 46.510 6.316 ( -3.342 -1.929 -0.959) 3.976 6.339 ( -1.458 -0.842 -0.765) 1.849 8.196 ( -4.112 -2.374 3.220) 5.737 8.371 ( -7.020 -4.053 -0.808) 8.146======================= Grid point 970 (287/344) =======================q-point: ( 0.40 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.853 ( 7.425 4.287 12.440) 15.108 1.082 ( 2.355 1.360 19.079) 19.272 1.672 ( 5.257 3.035 -5.120) 7.941 1.676 ( 7.115 4.108 -6.491) 10.470 2.044 ( 19.969 11.529 13.331) 26.634 2.863 ( -0.779 -0.450 -9.558) 9.601 5.191 ( 4.509 2.603 1.051) 5.312 6.188 ( -3.404 -1.965 -1.831) 4.336 6.294 ( -2.253 -1.301 -0.721) 2.699 6.356 ( 22.491 12.985 -14.420) 29.706 8.024 ( -12.000 -6.928 5.346) 14.852 8.239 ( -4.154 -2.398 -3.001) 5.657======================= Grid point 971 (288/344) =======================q-point: ( 0.47 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.058 ( 8.003 4.621 7.172) 11.698 1.185 ( 3.719 2.147 12.231) 12.963 1.801 ( 7.472 4.314 -3.298) 9.237 1.812 ( 5.894 3.403 -3.530) 7.667 2.471 ( 14.742 8.511 1.694) 17.106 2.939 ( 9.850 5.687 -2.964) 11.753 5.315 ( 6.300 3.637 0.798) 7.319 6.058 ( -6.096 -3.519 -0.551) 7.060 6.243 ( -1.974 -1.139 -0.642) 2.368 6.722 ( 12.629 7.292 -10.288) 17.847 7.738 ( -14.479 -8.359 4.096) 17.213 8.153 ( -2.948 -1.702 -1.826) 3.862======================= Grid point 972 (289/344) =======================q-point: ( 0.53 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.231 ( 6.183 3.570 3.182) 7.817 1.329 ( 6.742 3.892 6.897) 10.401 1.909 ( 3.721 2.148 -2.255) 4.852 1.979 ( 8.934 5.158 -1.531) 10.429 2.680 ( 5.286 3.052 -2.750) 6.695 3.249 ( 16.072 9.279 1.217) 18.598 5.467 ( 7.014 4.049 0.524) 8.116 5.943 ( -3.796 -2.192 0.081) 4.384 6.211 ( -0.688 -0.397 -0.448) 0.912 6.870 ( 3.679 2.124 -8.629) 9.618 7.422 ( -14.584 -8.420 3.123) 17.127 8.108 ( -0.833 -0.481 0.450) 1.062======================= Grid point 973 (290/344) =======================q-point: ( 0.60 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.350 ( 4.219 2.436 0.788) 4.935 1.508 ( 7.851 4.533 3.004) 9.550 1.972 ( 2.593 1.497 -1.650) 3.419 2.172 ( 8.317 4.802 -0.474) 9.616 2.721 ( -0.756 -0.437 -1.858) 2.053 3.586 ( 13.343 7.703 1.316) 15.463 5.616 ( 6.060 3.499 0.077) 6.998 5.905 ( 0.532 0.307 0.664) 0.905 6.213 ( 0.963 0.556 -0.008) 1.112 6.852 ( -3.222 -1.860 -7.796) 8.638 7.138 ( -10.826 -6.250 3.071) 12.872 8.114 ( 0.794 0.458 1.774) 1.997======================= Grid point 974 (291/344) =======================q-point: ( 0.67 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.427 ( 2.716 1.568 -0.422) 3.164 1.680 ( 7.270 4.197 -1.115) 8.469 2.019 ( 2.096 1.210 -1.203) 2.703 2.329 ( 5.698 3.290 -0.013) 6.580 2.648 ( -5.053 -2.917 -0.759) 5.884 3.832 ( 8.360 4.826 1.863) 9.831 5.727 ( 3.969 2.292 -0.543) 4.615 5.969 ( 4.903 2.831 0.481) 5.682 6.246 ( 1.622 0.937 0.626) 1.975 6.693 ( -8.736 -5.044 -2.372) 10.363 6.990 ( -3.494 -2.017 -0.017) 4.034 8.141 ( 1.007 0.581 1.831) 2.169======================= Grid point 975 (292/344) =======================q-point: ( 0.73 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.471 ( 1.523 0.880 -0.956) 2.002 1.822 ( 6.211 3.586 -4.570) 8.504 2.058 ( 1.710 0.987 -1.783) 2.660 2.415 ( 1.847 1.066 0.170) 2.140 2.519 ( -5.957 -3.439 1.206) 6.984 3.962 ( 2.695 1.556 2.475) 3.976 5.788 ( 1.813 1.047 -1.033) 2.335 6.107 ( 7.009 4.047 -1.497) 8.231 6.274 ( 0.384 0.221 1.120) 1.204 6.506 ( -7.331 -4.233 2.843) 8.930 6.951 ( -0.148 -0.085 -1.736) 1.744 8.163 ( 0.550 0.318 1.513) 1.641======================= Grid point 984 (293/344) =======================q-point: ( 0.33 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.823 ( 0.000 9.335 16.710) 19.141 0.981 ( 0.000 12.004 15.875) 19.903 1.478 ( -0.000 -0.883 -9.818) 9.857 1.606 ( 0.000 5.834 7.686) 9.650 1.679 ( 0.000 12.095 16.806) 20.706 2.979 ( -0.000 -11.316 -13.807) 17.852 5.112 ( 0.000 2.642 1.271) 2.932 5.628 ( -0.000 40.437 -13.110) 42.509 6.319 ( -0.000 -3.271 -1.130) 3.460 6.335 ( -0.000 -1.827 -0.682) 1.950 8.200 ( 0.000 -5.216 3.157) 6.097 8.377 ( 0.000 -6.795 -1.301) 6.918======================= Grid point 985 (294/344) =======================q-point: ( 0.40 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.941 ( -1.677 12.916 12.338) 17.940 1.162 ( 0.638 7.980 17.388) 19.143 1.508 ( 7.303 0.811 -9.680) 12.153 1.699 ( 1.863 8.497 -3.786) 9.488 1.953 ( 10.739 14.726 17.496) 25.265 2.836 ( -1.461 -3.727 -11.650) 12.318 5.169 ( 2.457 4.080 1.079) 4.884 6.105 ( 15.232 23.491 -11.270) 30.180 6.257 ( -1.393 -1.137 -3.223) 3.691 6.305 ( -1.006 -2.053 -0.788) 2.419 8.094 ( -5.229 -11.048 4.799) 13.131 8.278 ( -3.921 -3.022 -3.194) 5.891======================= Grid point 986 (295/344) =======================q-point: ( 0.47 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.092 ( 1.370 12.523 7.526) 14.674 1.245 ( -1.584 5.142 13.253) 14.304 1.662 ( 9.692 3.710 -4.115) 11.164 1.806 ( 2.788 7.909 -4.220) 9.388 2.340 ( 13.431 12.596 5.466) 19.208 2.844 ( 6.011 4.418 -5.928) 9.529 5.276 ( 4.302 5.719 0.900) 7.213 6.110 ( -5.021 -4.785 -0.484) 6.953 6.262 ( -1.635 -1.490 -0.691) 2.318 6.555 ( 13.970 12.709 -9.744) 21.252 7.861 ( -10.114 -12.074 4.046) 16.262 8.183 ( -3.640 -1.960 -2.704) 4.940======================= Grid point 987 (296/344) =======================q-point: ( 0.53 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.249 ( 1.617 10.488 4.076) 11.367 1.328 ( 2.158 5.901 8.782) 10.799 1.838 ( 6.616 3.444 -1.062) 7.534 1.928 ( 5.030 8.230 -3.143) 10.145 2.602 ( 7.431 5.308 -2.461) 9.457 3.094 ( 14.143 10.989 0.257) 17.912 5.422 ( 5.344 7.098 0.786) 8.919 5.985 ( -4.454 -3.724 0.121) 5.807 6.225 ( -1.298 -0.206 -0.708) 1.493 6.783 ( 7.001 3.980 -7.542) 11.033 7.569 ( -12.543 -10.661 2.676) 16.678 8.113 ( -1.606 -2.116 -0.443) 2.693======================= Grid point 988 (297/344) =======================q-point: ( 0.60 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.362 ( 0.746 7.531 2.615) 8.007 1.476 ( 4.865 7.383 5.187) 10.251 1.930 ( 3.282 1.253 -1.428) 3.792 2.118 ( 6.704 9.785 -0.944) 11.899 2.704 ( 2.286 1.181 -2.592) 3.653 3.442 ( 14.058 9.949 0.674) 17.235 5.583 ( 4.842 7.670 0.615) 9.091 5.910 ( -1.343 -1.390 0.977) 2.165 6.216 ( -0.152 1.200 -0.550) 1.329 6.838 ( 0.668 -0.575 -7.285) 7.338 7.273 ( -12.246 -8.321 2.395) 14.998 8.091 ( 1.127 -2.211 1.455) 2.877======================= Grid point 989 (298/344) =======================q-point: ( 0.67 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.438 ( 0.209 5.810 1.070) 5.911 1.637 ( 4.653 6.958 2.045) 8.617 1.983 ( 2.784 0.587 -1.277) 3.119 2.305 ( 4.675 8.969 -0.056) 10.115 2.690 ( -2.866 -1.231 -1.990) 3.700 3.730 ( 10.595 6.284 1.094) 12.367 5.721 ( 2.729 7.327 0.225) 7.821 5.925 ( 2.891 1.166 1.362) 3.402 6.238 ( 1.001 1.885 -0.125) 2.138 6.763 ( -5.310 -2.972 -5.162) 7.980 7.049 ( -7.163 -4.466 1.644) 8.600 8.106 ( 2.535 -2.454 1.896) 4.006======================= Grid point 990 (299/344) =======================q-point: ( 0.73 0.33 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.488 ( -0.518 4.682 0.087) 4.711 1.768 ( 3.957 5.413 -1.853) 6.957 2.028 ( 2.304 0.371 -1.134) 2.595 2.432 ( 1.340 6.476 0.434) 6.627 2.595 ( -5.943 -1.054 -0.971) 6.113 3.914 ( 5.973 2.347 1.907) 6.695 5.811 ( 0.107 6.590 -0.285) 6.597 6.024 ( 6.010 2.380 0.369) 6.474 6.274 ( 0.949 1.385 0.367) 1.719 6.606 ( -7.929 -2.931 0.108) 8.454 6.956 ( -1.776 -1.172 -0.947) 2.329 8.130 ( 2.557 -2.719 1.530) 4.034======================= Grid point 1000 (300/344) =======================q-point: ( 0.40 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.130 ( 0.000 12.965 10.222) 16.511 1.292 ( 0.000 10.375 11.595) 15.559 1.427 ( -0.000 3.470 -10.902) 11.441 1.754 ( -0.000 7.860 -1.542) 8.010 2.068 ( 0.000 17.505 14.126) 22.494 2.782 ( -0.000 -1.637 -10.507) 10.634 5.196 ( -0.000 5.421 0.897) 5.495 6.176 ( -0.000 10.142 -2.584) 10.465 6.264 ( -0.000 11.107 -8.716) 14.119 6.285 ( 0.000 -2.839 -0.448) 2.874 8.026 ( 0.000 -14.241 4.435) 14.916 8.275 ( -0.000 -2.429 -3.998) 4.678======================= Grid point 1001 (301/344) =======================q-point: ( 0.47 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.245 ( -2.057 12.548 4.397) 13.454 1.353 ( -1.201 3.683 3.426) 5.171 1.567 ( 7.400 10.335 0.102) 12.711 1.830 ( 1.543 6.548 -3.855) 7.754 2.324 ( 6.388 15.256 5.941) 17.574 2.798 ( 3.361 6.299 -4.562) 8.473 5.280 ( 2.733 6.853 0.701) 7.411 6.128 ( -3.099 -5.324 -0.860) 6.220 6.257 ( -0.176 -2.375 -0.496) 2.432 6.488 ( 7.349 15.736 -6.577) 18.571 7.858 ( -4.249 -15.065 3.683) 16.080 8.216 ( -3.076 -1.727 -4.047) 5.369======================= Grid point 1002 (302/344) =======================q-point: ( 0.53 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.351 ( 0.956 10.736 0.115) 10.779 1.394 ( -0.527 5.608 4.561) 7.248 1.786 ( 5.889 8.158 2.911) 10.474 1.921 ( 4.137 7.350 -4.680) 9.646 2.543 ( 5.777 7.386 -1.422) 9.484 3.010 ( 9.891 13.994 1.077) 17.171 5.418 ( 4.618 8.458 0.670) 9.660 6.015 ( -3.948 -4.465 -0.644) 5.994 6.234 ( -0.336 -0.856 -0.741) 1.181 6.697 ( 6.435 6.043 -4.143) 9.752 7.629 ( -7.511 -13.550 2.424) 15.681 8.130 ( -3.464 -2.041 -2.497) 4.733======================= Grid point 1003 (303/344) =======================q-point: ( 0.60 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.457 ( -0.943 7.945 2.543) 8.395 1.493 ( 4.174 8.602 2.185) 9.808 1.894 ( 2.280 1.972 0.201) 3.021 2.113 ( 6.854 12.222 -1.159) 14.060 2.665 ( 3.670 3.034 -2.058) 5.188 3.334 ( 11.693 12.923 0.736) 17.444 5.590 ( 4.972 9.598 0.739) 10.835 5.926 ( -2.381 -2.320 0.269) 3.335 6.229 ( -0.048 0.955 -0.874) 1.295 6.791 ( 2.647 0.571 -4.147) 4.952 7.374 ( -9.489 -10.647 1.532) 14.344 8.062 ( -1.106 -3.020 -0.202) 3.222======================= Grid point 1004 (304/344) =======================q-point: ( 0.67 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.520 ( -1.042 7.173 1.781) 7.464 1.654 ( 3.832 8.536 2.566) 9.702 1.939 ( 2.392 0.273 -0.880) 2.563 2.328 ( 4.864 11.297 0.165) 12.301 2.711 ( -0.090 1.735 -2.028) 2.670 3.622 ( 10.294 8.062 0.374) 13.080 5.757 ( 3.446 9.579 0.763) 10.208 5.905 ( 0.928 0.323 1.204) 1.554 6.245 ( 0.498 2.000 -0.798) 2.210 6.785 ( -1.442 -0.975 -4.346) 4.682 7.137 ( -8.704 -6.914 1.389) 11.202 8.036 ( 1.862 -4.154 1.171) 4.701======================= Grid point 1005 (305/344) =======================q-point: ( 0.73 0.40 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.568 ( -1.704 6.695 1.157) 7.005 1.780 ( 1.828 6.599 0.722) 6.885 1.981 ( 2.987 -0.073 -0.908) 3.123 2.467 ( 1.623 4.898 0.496) 5.184 2.701 ( -4.079 6.389 -1.900) 7.815 3.826 ( 7.707 2.757 1.009) 8.248 5.883 ( 0.971 8.518 0.696) 8.601 5.965 ( 3.888 2.173 1.220) 4.618 6.272 ( 0.787 1.443 -0.605) 1.751 6.705 ( -5.961 -0.358 -2.014) 6.303 6.985 ( -4.041 -2.744 0.211) 4.889 8.043 ( 3.510 -4.945 1.291) 6.200======================= Grid point 1016 (306/344) =======================q-point: ( 0.47 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.354 ( -0.000 1.105 -6.318) 6.414 1.399 ( -0.000 11.134 1.676) 11.260 1.640 ( -0.000 14.140 4.044) 14.707 1.857 ( -0.000 4.147 -4.239) 5.930 2.429 ( -0.000 12.807 2.705) 13.090 2.853 ( -0.000 13.269 0.810) 13.294 5.326 ( -0.000 7.618 0.279) 7.623 6.099 ( -0.000 -5.373 -2.023) 5.742 6.230 ( 0.000 -2.511 -0.040) 2.511 6.559 ( -0.000 12.351 -2.330) 12.569 7.749 ( 0.000 -16.136 2.777) 16.373 8.216 ( -0.000 -1.307 -4.606) 4.788======================= Grid point 1017 (307/344) =======================q-point: ( 0.53 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.371 ( 2.407 2.796 -4.388) 5.733 1.488 ( -0.738 9.514 -2.447) 9.851 1.819 ( 3.085 11.193 4.375) 12.407 1.900 ( 3.424 4.927 -4.827) 7.701 2.550 ( 2.035 7.496 0.557) 7.787 3.054 ( 4.308 18.320 3.201) 19.090 5.432 ( 3.392 8.491 0.066) 9.143 6.022 ( -2.377 -4.356 -2.274) 5.459 6.216 ( 0.696 -1.387 -0.175) 1.561 6.673 ( 2.788 5.852 0.300) 6.489 7.578 ( -2.811 -15.440 1.667) 15.782 8.165 ( -3.112 -1.088 -3.981) 5.169======================= Grid point 1018 (308/344) =======================q-point: ( 0.60 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.465 ( 5.223 3.790 0.126) 6.454 1.561 ( 0.203 9.382 -3.981) 10.194 1.894 ( 0.538 2.142 0.605) 2.290 2.104 ( 8.146 12.531 -0.514) 14.955 2.642 ( 2.439 3.758 0.413) 4.499 3.326 ( 6.491 16.490 1.660) 17.799 5.595 ( 5.523 9.371 0.102) 10.877 5.942 ( -2.347 -2.301 -1.491) 3.609 6.225 ( 0.977 0.329 -0.510) 1.150 6.750 ( 2.280 0.944 0.520) 2.522 7.380 ( -4.647 -13.152 0.784) 13.971 8.081 ( -4.050 -1.562 -2.312) 4.918======================= Grid point 1019 (309/344) =======================q-point: ( 0.67 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.578 ( 2.598 4.345 1.368) 5.244 1.675 ( 3.778 9.337 -1.445) 10.176 1.916 ( 0.536 0.581 0.053) 0.792 2.344 ( 6.195 10.747 0.161) 12.405 2.713 ( 2.494 3.223 -0.163) 4.079 3.570 ( 6.366 10.862 0.296) 12.593 5.779 ( 5.200 9.323 0.261) 10.679 5.905 ( -0.346 0.332 -0.248) 0.540 6.249 ( 0.911 1.458 -0.601) 1.821 6.776 ( 0.793 -0.356 -0.589) 1.050 7.185 ( -5.640 -9.489 0.438) 11.047 8.001 ( -2.223 -2.905 -0.476) 3.688======================= Grid point 1020 (310/344) =======================q-point: ( 0.73 0.47 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.650 ( 0.232 5.717 0.622) 5.755 1.818 ( 2.557 7.205 0.942) 7.703 1.932 ( 1.859 -0.489 -0.530) 1.995 2.476 ( 1.454 2.587 0.084) 2.969 2.810 ( 1.641 10.530 -0.795) 10.687 3.740 ( 5.599 3.804 0.260) 6.774 5.919 ( 2.523 4.613 0.650) 5.298 5.951 ( 2.785 5.602 0.533) 6.279 6.271 ( 0.424 0.788 -0.516) 1.033 6.774 ( -1.558 1.844 -1.213) 2.701 7.027 ( -4.698 -4.998 0.267) 6.865 7.954 ( 0.892 -4.669 0.567) 4.787======================= Grid point 1032 (311/344) =======================q-point: ( 0.53 0.53 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.353 ( -0.000 2.276 -5.295) 5.763 1.561 ( -0.000 7.520 -8.162) 11.098 1.890 ( -0.000 2.318 -1.777) 2.921 1.921 ( -0.000 12.951 2.616) 13.213 2.605 ( 0.000 5.416 2.488) 5.960 3.218 ( -0.000 20.122 3.405) 20.408 5.480 ( -0.000 8.151 -0.411) 8.161 5.996 ( -0.000 -3.361 -3.607) 4.930 6.198 ( 0.000 -0.741 0.433) 0.858 6.703 ( 0.000 3.085 3.474) 4.646 7.452 ( 0.000 -15.497 0.466) 15.504 8.175 ( -0.000 -0.364 -4.131) 4.147======================= Grid point 1033 (312/344) =======================q-point: ( 0.60 0.53 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.404 ( 4.594 2.893 -2.688) 6.058 1.607 ( 1.129 6.402 -8.870) 10.997 1.913 ( -0.028 2.502 0.503) 2.553 2.099 ( 5.931 11.881 1.027) 13.319 2.655 ( 0.520 2.367 3.025) 3.876 3.432 ( 2.032 18.078 1.846) 18.286 5.593 ( 4.302 8.014 -0.532) 9.111 5.949 ( -1.363 -1.375 -3.336) 3.857 6.208 ( 1.118 0.560 0.264) 1.278 6.737 ( 0.784 -0.123 4.343) 4.415 7.296 ( -1.442 -13.908 -0.459) 13.990 8.133 ( -3.421 -0.100 -3.258) 4.725======================= Grid point 1034 (313/344) =======================q-point: ( 0.67 0.53 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.528 ( 6.540 2.823 -0.311) 7.130 1.688 ( 3.569 6.821 -5.257) 9.322 1.931 ( -0.695 1.960 0.840) 2.243 2.328 ( 7.597 10.098 0.067) 12.636 2.692 ( 2.210 0.623 2.306) 3.254 3.622 ( 1.948 13.279 0.305) 13.425 5.763 ( 6.544 7.838 -0.522) 10.224 5.919 ( -0.827 1.120 -2.078) 2.501 6.241 ( 1.410 1.404 0.105) 1.992 6.752 ( 1.141 -1.755 3.298) 3.907 7.146 ( -1.964 -10.860 -0.662) 11.056 8.049 ( -5.168 -0.421 -1.885) 5.517======================= Grid point 1048 (314/344) =======================q-point: ( 0.60 0.60 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.381 ( -0.000 2.820 -2.598) 3.835 1.618 ( -0.000 4.860 -9.453) 10.629 1.945 ( 0.000 3.156 1.423) 3.462 2.158 ( -0.000 10.472 1.107) 10.530 2.673 ( 0.000 -0.314 3.748) 3.761 3.590 ( -0.000 16.554 0.843) 16.575 5.621 ( -0.000 6.597 -0.577) 6.622 5.944 ( -0.000 0.466 -3.798) 3.827 6.209 ( 0.000 1.546 0.466) 1.614 6.736 ( 0.000 -2.209 5.709) 6.122 7.176 ( 0.000 -12.467 -1.482) 12.555 8.157 ( -0.000 0.547 -3.061) 3.109======================= Grid point 1049 (315/344) =======================q-point: (-0.33 -0.40 -0.73)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.448 ( 5.082 2.593 -1.119) 5.814 1.669 ( 3.001 5.227 -5.326) 8.043 1.973 ( -0.770 2.848 1.279) 3.216 2.303 ( 5.711 8.817 0.278) 10.509 2.669 ( 0.476 -2.728 3.077) 4.139 3.736 ( 0.113 12.866 -0.381) 12.872 5.724 ( 5.176 5.811 -0.445) 7.795 5.943 ( -0.694 2.765 -2.762) 3.970 6.237 ( 0.957 2.027 0.209) 2.251 6.722 ( 0.484 -4.456 4.648) 6.458 7.062 ( -0.442 -9.155 -1.367) 9.267 8.124 ( -3.666 0.720 -2.274) 4.373======================= Grid point 1064 (316/344) =======================q-point: (-0.33 -0.33 -0.73)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.426 ( -0.000 2.596 -0.257) 2.609 1.683 ( -0.000 5.846 -1.889) 6.143 2.009 ( 0.000 2.540 1.174) 2.798 2.328 ( -0.000 6.766 0.218) 6.769 2.636 ( 0.000 -5.027 2.140) 5.464 3.846 ( -0.000 10.129 -1.339) 10.217 5.724 ( -0.000 4.258 0.164) 4.261 5.980 ( -0.000 4.947 -1.920) 5.307 6.250 ( -0.000 2.195 -0.287) 2.214 6.671 ( 0.000 -7.402 2.692) 7.877 6.991 ( 0.000 -5.410 -0.408) 5.425 8.158 ( -0.000 0.899 -2.042) 2.232======================= Grid point 1209 (317/344) =======================q-point: ( 0.33 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.846 ( 0.000 -0.000 18.280) 18.280 0.846 ( 0.000 -0.000 18.280) 18.280 1.486 ( -0.000 0.000 -9.277) 9.277 1.486 ( -0.000 0.000 -9.277) 9.277 1.675 ( 0.000 -0.000 36.135) 36.135 3.099 ( -0.000 0.000 -22.219) 22.219 5.092 ( 0.000 -0.000 1.232) 1.232 5.092 ( 0.000 -0.000 1.232) 1.232 6.351 ( -0.000 0.000 -0.677) 0.677 6.351 ( -0.000 0.000 -0.677) 0.677 8.244 ( 0.000 -0.000 2.184) 2.184 8.463 ( -0.000 0.000 -1.041) 1.041======================= Grid point 1210 (318/344) =======================q-point: ( 0.40 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.845 ( 0.888 0.513 17.849) 17.878 1.088 ( 8.717 5.033 18.011) 20.632 1.478 ( 4.193 2.421 -11.569) 12.541 1.532 ( 4.049 2.338 -8.351) 9.571 1.845 ( 7.453 4.303 28.847) 30.103 2.894 ( -7.951 -4.591 -16.629) 18.995 5.122 ( 2.300 1.328 1.013) 2.843 5.572 ( 33.494 19.338 -9.232) 39.762 6.309 ( -3.487 -2.013 -0.731) 4.092 6.333 ( -1.460 -0.843 -0.640) 1.803 8.221 ( -3.105 -1.793 2.883) 4.601 8.361 ( -7.687 -4.438 -1.303) 8.971======================= Grid point 1211 (319/344) =======================q-point: ( 0.47 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.965 ( 5.230 3.019 14.064) 15.306 1.236 ( 0.628 0.363 16.585) 16.601 1.612 ( 9.431 5.445 -7.877) 13.440 1.622 ( 6.149 3.550 -6.760) 9.804 2.160 ( 14.434 8.334 13.754) 21.610 2.774 ( 1.388 0.801 -11.362) 11.475 5.199 ( 4.456 2.573 0.772) 5.203 6.171 ( 3.342 1.929 -2.222) 4.452 6.258 ( 16.787 9.692 -8.665) 21.232 6.288 ( -2.252 -1.300 -0.607) 2.671 8.064 ( -12.305 -7.104 4.106) 14.790 8.216 ( -3.840 -2.217 -2.406) 5.045======================= Grid point 1212 (320/344) =======================q-point: ( 0.53 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.127 ( 5.909 3.412 9.022) 11.312 1.289 ( 1.845 1.065 11.791) 11.982 1.769 ( 8.456 4.882 -4.413) 10.715 1.785 ( 6.713 3.876 -2.504) 8.146 2.481 ( 11.210 6.472 0.428) 12.952 2.912 ( 12.806 7.393 -3.351) 15.162 5.321 ( 6.260 3.614 0.644) 7.257 6.057 ( -5.954 -3.438 0.507) 6.894 6.238 ( -1.954 -1.128 -0.594) 2.333 6.643 ( 13.273 7.663 -8.214) 17.389 7.765 ( -14.774 -8.530 2.226) 17.204 8.146 ( -2.300 -1.328 0.103) 2.658======================= Grid point 1213 (321/344) =======================q-point: ( 0.60 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.264 ( 4.696 2.711 4.645) 7.140 1.399 ( 5.154 2.975 9.548) 11.251 1.892 ( 3.833 2.213 -1.669) 4.731 1.963 ( 9.639 5.565 -2.172) 11.340 2.655 ( 5.272 3.044 -3.052) 6.810 3.252 ( 16.534 9.546 -0.463) 19.097 5.472 ( 6.923 3.997 0.583) 8.015 5.949 ( -3.643 -2.103 1.557) 4.486 6.206 ( -0.593 -0.342 -0.533) 0.867 6.801 ( 3.666 2.116 -7.694) 8.781 7.442 ( -14.416 -8.323 1.792) 16.742 8.119 ( -0.389 -0.225 2.117) 2.164======================= Grid point 1214 (322/344) =======================q-point: ( 0.67 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.362 ( 3.356 1.937 1.842) 4.290 1.549 ( 5.873 3.391 6.665) 9.509 1.958 ( 2.754 1.590 -1.593) 3.557 2.166 ( 8.671 5.006 -0.846) 10.048 2.701 ( -0.365 -0.211 -2.893) 2.923 3.593 ( 13.713 7.917 0.235) 15.836 5.617 ( 5.842 3.373 0.355) 6.755 5.918 ( 0.452 0.261 2.356) 2.413 6.212 ( 1.189 0.686 -0.256) 1.396 6.789 ( -2.421 -1.398 -6.984) 7.522 7.160 ( -10.946 -6.320 2.194) 12.828 8.133 ( 0.752 0.434 2.626) 2.766======================= Grid point 1225 (323/344) =======================q-point: ( 0.40 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.967 ( 0.000 7.224 17.258) 18.709 1.108 ( 0.000 10.686 14.184) 17.759 1.388 ( -0.000 -1.318 -11.225) 11.302 1.558 ( -0.000 9.462 -9.285) 13.257 1.914 ( 0.000 5.280 28.948) 29.426 2.845 ( -0.000 -8.449 -17.680) 19.595 5.122 ( 0.000 2.592 0.988) 2.774 5.545 ( -0.000 36.547 -7.079) 37.227 6.311 ( 0.000 -3.658 -0.852) 3.756 6.330 ( 0.000 -1.794 -0.488) 1.860 8.225 ( 0.000 -4.077 2.773) 4.931 8.364 ( 0.000 -7.890 -1.630) 8.056======================= Grid point 1226 (324/344) =======================q-point: ( 0.47 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.051 ( -2.287 9.542 13.537) 16.719 1.296 ( 0.953 4.947 13.235) 14.161 1.424 ( 9.749 2.949 -9.021) 13.606 1.643 ( 1.664 10.603 -8.670) 13.797 2.109 ( 7.039 9.119 18.338) 21.656 2.730 ( -0.193 -1.352 -13.096) 13.167 5.177 ( 2.413 4.053 0.728) 4.773 6.025 ( 16.630 27.225 -7.215) 32.708 6.239 ( -2.890 -4.260 -1.385) 5.331 6.300 ( -1.083 -2.108 -0.462) 2.414 8.132 ( -5.124 -11.072 4.288) 12.932 8.250 ( -3.832 -3.414 -3.378) 6.144======================= Grid point 1227 (325/344) =======================q-point: ( 0.53 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.162 ( 0.861 8.873 8.841) 12.556 1.334 ( -0.571 2.501 7.015) 7.469 1.641 ( 9.858 6.123 -0.431) 11.613 1.763 ( 3.614 8.557 -5.488) 10.789 2.381 ( 9.510 8.752 3.844) 13.484 2.796 ( 8.277 7.697 -5.117) 12.407 5.282 ( 4.292 5.744 0.565) 7.192 6.109 ( -4.832 -4.953 0.264) 6.924 6.256 ( -1.662 -1.528 -0.531) 2.319 6.487 ( 14.015 14.074 -6.303) 20.838 7.887 ( -10.595 -12.227 2.154) 16.321 8.167 ( -2.630 -2.222 -1.046) 3.598======================= Grid point 1228 (326/344) =======================q-point: ( 0.60 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.286 ( 1.472 8.079 4.849) 9.537 1.402 ( 2.496 4.224 8.099) 9.469 1.838 ( 5.483 4.146 1.181) 6.975 1.897 ( 6.288 8.892 -4.173) 11.663 2.581 ( 6.671 4.850 -2.443) 8.601 3.090 ( 14.521 11.996 -1.037) 18.863 5.428 ( 5.334 7.157 0.581) 8.944 5.990 ( -4.042 -3.862 1.209) 5.720 6.220 ( -1.274 -0.274 -0.550) 1.415 6.727 ( 6.347 4.781 -5.730) 9.797 7.585 ( -12.612 -10.651 1.050) 16.541 8.117 ( -0.606 -2.392 1.378) 2.826======================= Grid point 1229 (327/344) =======================q-point: ( 0.67 0.40 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.383 ( 0.399 6.813 2.435) 7.246 1.534 ( 4.314 5.428 8.196) 10.736 1.919 ( 2.852 1.403 -1.020) 3.338 2.108 ( 7.137 10.401 -1.195) 12.671 2.681 ( 2.292 1.458 -2.971) 4.026 3.442 ( 14.269 10.264 -0.645) 17.589 5.588 ( 4.732 7.725 0.623) 9.080 5.924 ( -1.022 -1.590 2.372) 3.033 6.211 ( -0.019 1.150 -0.488) 1.249 6.781 ( 0.189 0.110 -6.087) 6.090 7.289 ( -11.869 -8.309 1.337) 14.550 8.108 ( 1.528 -2.566 2.570) 3.940======================= Grid point 1241 (328/344) =======================q-point: ( 0.47 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.222 ( 0.000 9.074 11.277) 14.475 1.316 ( -0.000 0.563 -11.410) 11.424 1.398 ( 0.000 12.313 9.586) 15.605 1.705 ( -0.000 9.959 -8.791) 13.284 2.198 ( 0.000 10.959 14.913) 18.507 2.694 ( -0.000 2.329 -9.660) 9.937 5.202 ( -0.000 5.292 0.549) 5.320 6.153 ( -0.000 25.030 -2.577) 25.162 6.215 ( -0.000 -2.534 -3.337) 4.190 6.282 ( 0.000 -2.763 -0.187) 2.770 8.061 ( 0.000 -14.603 3.711) 15.067 8.241 ( -0.000 -2.792 -3.825) 4.735======================= Grid point 1242 (329/344) =======================q-point: ( 0.53 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.273 ( -1.356 6.732 0.349) 6.876 1.352 ( 1.823 3.659 -1.246) 4.274 1.598 ( 6.122 11.537 6.181) 14.449 1.781 ( 1.681 7.558 -7.035) 10.462 2.373 ( 4.070 10.404 4.971) 12.228 2.768 ( 4.149 10.926 -2.310) 11.913 5.285 ( 2.792 6.735 0.303) 7.297 6.121 ( -2.820 -5.951 -0.859) 6.641 6.253 ( -0.340 -2.320 -0.222) 2.355 6.451 ( 7.040 17.770 -2.231) 19.244 7.884 ( -4.474 -15.487 2.341) 16.289 8.185 ( -2.460 -2.073 -3.019) 4.412======================= Grid point 1243 (330/344) =======================q-point: ( 0.60 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.353 ( 2.478 7.852 0.228) 8.237 1.418 ( 1.567 4.349 1.272) 4.794 1.822 ( 4.417 7.809 5.448) 10.497 1.875 ( 5.245 8.657 -5.980) 11.757 2.535 ( 4.611 6.927 -0.423) 8.332 3.016 ( 9.514 15.404 0.356) 18.109 5.422 ( 4.750 8.390 0.234) 9.644 6.012 ( -3.335 -4.899 -0.204) 5.930 6.229 ( -0.452 -0.893 -0.288) 1.041 6.674 ( 5.313 7.416 -1.432) 9.235 7.643 ( -7.775 -13.718 0.870) 15.792 8.115 ( -2.270 -2.509 -0.912) 3.504======================= Grid point 1244 (331/344) =======================q-point: ( 0.67 0.47 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.464 ( -0.153 8.318 0.167) 8.321 1.526 ( 5.787 5.312 4.416) 9.011 1.896 ( 1.522 1.628 0.176) 2.235 2.105 ( 7.208 13.172 -0.626) 15.029 2.650 ( 3.082 3.595 -1.379) 4.932 3.335 ( 11.320 13.289 -0.501) 17.464 5.594 ( 5.120 9.563 0.347) 10.853 5.931 ( -1.667 -2.727 1.019) 3.355 6.224 ( -0.097 0.884 -0.251) 0.924 6.763 ( 1.280 1.651 -2.469) 3.234 7.382 ( -9.371 -10.690 0.316) 14.219 8.066 ( -0.092 -3.593 1.164) 3.778======================= Grid point 1257 (332/344) =======================q-point: ( 0.53 0.53 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.287 ( -0.000 2.482 -9.139) 9.470 1.404 ( -0.000 6.736 -1.070) 6.821 1.682 ( 0.000 12.735 5.502) 13.873 1.812 ( -0.000 5.582 -5.559) 7.878 2.455 ( 0.000 10.082 3.188) 10.575 2.864 ( -0.000 16.440 1.912) 16.551 5.327 ( -0.000 7.418 -0.055) 7.418 6.082 ( -0.000 -6.057 -2.083) 6.405 6.231 ( 0.000 -2.385 0.221) 2.395 6.556 ( -0.000 14.150 1.677) 14.249 7.768 ( 0.000 -16.744 1.610) 16.821 8.180 ( -0.000 -1.531 -3.745) 4.046======================= Grid point 1258 (333/344) =======================q-point: ( 0.60 0.53 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.329 ( 4.240 3.843 -5.296) 7.797 1.458 ( 0.550 6.265 -5.063) 8.074 1.854 ( 1.278 5.048 1.241) 5.353 1.865 ( 5.023 11.503 -0.486) 12.561 2.562 ( 1.314 7.702 2.012) 8.068 3.077 ( 3.763 18.766 2.200) 19.266 5.431 ( 3.501 8.309 -0.283) 9.021 6.004 ( -1.808 -4.961 -2.001) 5.647 6.217 ( 0.467 -1.301 0.227) 1.401 6.689 ( 1.955 7.134 3.247) 8.079 7.587 ( -2.842 -15.990 0.481) 16.248 8.135 ( -2.504 -1.247 -2.957) 4.071======================= Grid point 1273 (334/344) =======================q-point: (-0.40 -0.40 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.307 ( -0.000 3.720 -5.408) 6.564 1.483 ( -0.000 5.726 -10.014) 11.535 1.884 ( -0.000 3.846 0.228) 3.853 1.943 ( -0.000 12.044 2.582) 12.318 2.629 ( 0.000 5.917 3.126) 6.692 3.241 ( -0.000 19.617 2.038) 19.722 5.476 ( -0.000 8.012 -0.543) 8.030 5.968 ( -0.000 -3.866 -2.859) 4.808 6.202 ( 0.000 -0.665 0.528) 0.849 6.743 ( 0.000 3.859 5.922) 7.069 7.452 ( 0.000 -16.188 -0.535) 16.197 8.143 ( -0.000 -0.246 -3.404) 3.413======================= Grid point 1451 (335/344) =======================q-point: ( 0.40 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.992 ( 0.000 -0.000 16.292) 16.292 0.992 ( 0.000 -0.000 16.292) 16.292 1.401 ( -0.000 0.000 -10.730) 10.730 1.401 ( -0.000 0.000 -10.730) 10.730 1.963 ( 0.000 -0.000 31.715) 31.715 2.905 ( -0.000 0.000 -23.376) 23.376 5.101 ( 0.000 -0.000 0.834) 0.834 5.101 ( 0.000 -0.000 0.834) 0.834 6.346 ( -0.000 0.000 -0.458) 0.458 6.346 ( -0.000 0.000 -0.458) 0.458 8.261 ( 0.000 -0.000 1.614) 1.614 8.455 ( -0.000 0.000 -0.840) 0.840======================= Grid point 1452 (336/344) =======================q-point: ( 0.47 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.992 ( 0.391 0.226 16.922) 16.928 1.230 ( 10.275 5.932 15.520) 19.535 1.373 ( 3.225 1.862 -13.145) 13.662 1.454 ( 4.714 2.722 -10.083) 11.459 2.073 ( 3.306 1.909 24.281) 24.579 2.745 ( -5.352 -3.090 -17.782) 18.826 5.128 ( 2.256 1.302 0.556) 2.663 5.516 ( 30.563 17.646 -4.374) 35.561 6.304 ( -3.545 -2.047 -0.384) 4.111 6.328 ( -1.473 -0.851 -0.404) 1.748 8.243 ( -2.131 -1.230 2.002) 3.172 8.350 ( -8.469 -4.889 -1.136) 9.845======================= Grid point 1453 (337/344) =======================q-point: ( 0.53 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.086 ( 3.532 2.039 14.468) 15.032 1.336 ( -0.187 -0.108 4.936) 4.941 1.559 ( 7.210 4.162 -8.333) 11.779 1.569 ( 11.960 6.905 0.055) 13.811 2.262 ( 8.970 5.179 9.252) 13.888 2.681 ( 4.214 2.433 -9.545) 10.714 5.204 ( 4.452 2.570 0.361) 5.153 6.151 ( 18.201 10.508 -2.351) 21.148 6.211 ( 2.100 1.213 -2.885) 3.769 6.284 ( -2.280 -1.316 -0.388) 2.661 8.089 ( -13.209 -7.626 1.454) 15.322 8.203 ( -2.731 -1.577 -0.327) 3.171======================= Grid point 1454 (338/344) =======================q-point: ( 0.60 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.206 ( 3.922 2.264 9.757) 10.757 1.371 ( 2.480 1.432 7.062) 7.620 1.728 ( 9.646 5.569 -5.272) 12.323 1.779 ( 6.529 3.770 1.620) 7.711 2.476 ( 8.823 5.094 -1.598) 10.312 2.885 ( 14.612 8.436 -2.926) 17.125 5.325 ( 6.304 3.639 0.381) 7.289 6.066 ( -5.678 -3.278 1.508) 6.728 6.233 ( -1.987 -1.147 -0.445) 2.337 6.586 ( 13.128 7.579 -5.276) 16.050 7.775 ( -14.805 -8.548 0.140) 17.096 8.155 ( -1.706 -0.985 2.141) 2.910======================= Grid point 1467 (339/344) =======================q-point: ( 0.47 0.47 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.110 ( 0.000 6.370 16.666) 17.842 1.199 ( 0.000 7.692 2.993) 8.254 1.309 ( -0.000 0.170 -3.358) 3.362 1.469 ( -0.000 9.834 -11.700) 15.283 2.133 ( 0.000 1.910 21.277) 21.362 2.696 ( -0.000 -5.446 -15.989) 16.891 5.129 ( -0.000 2.568 0.538) 2.624 5.504 ( -0.000 34.241 -2.843) 34.359 6.305 ( 0.000 -3.915 -0.473) 3.944 6.327 ( 0.000 -1.759 -0.212) 1.772 8.245 ( 0.000 -2.779 1.767) 3.293 8.351 ( 0.000 -9.235 -1.285) 9.324======================= Grid point 1468 (340/344) =======================q-point: ( 0.53 0.47 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.160 ( -2.054 6.145 11.037) 12.798 1.303 ( 4.032 0.592 -8.583) 9.501 1.439 ( 7.696 7.300 10.018) 14.591 1.563 ( 3.189 11.773 -9.407) 15.403 2.237 ( 3.564 5.201 9.795) 11.649 2.633 ( 1.200 1.651 -7.916) 8.175 5.181 ( 2.365 4.051 0.257) 4.698 5.985 ( 16.566 28.202 -2.404) 32.796 6.231 ( -3.099 -5.129 -0.430) 6.008 6.297 ( -1.145 -2.067 -0.159) 2.369 8.163 ( -6.062 -12.082 2.666) 13.778 8.224 ( -2.661 -2.694 -2.370) 4.467======================= Grid point 1469 (341/344) =======================q-point: ( 0.60 0.47 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.235 ( 1.192 5.081 7.835) 9.414 1.357 ( 2.973 2.292 -0.702) 3.819 1.642 ( 7.350 8.988 -2.144) 11.807 1.736 ( 5.555 7.166 1.382) 9.171 2.397 ( 6.618 6.796 -0.478) 9.498 2.765 ( 9.278 9.929 -1.826) 13.712 5.285 ( 4.339 5.767 0.141) 7.219 6.114 ( -4.418 -5.232 0.756) 6.889 6.253 ( -1.713 -1.519 -0.194) 2.297 6.451 ( 13.284 14.875 -2.226) 20.067 7.895 ( -11.071 -12.050 -0.245) 16.366 8.167 ( -1.467 -2.645 1.146) 3.235======================= Grid point 1483 (342/344) =======================q-point: ( 0.53 0.53 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.206 ( -0.000 2.523 -13.914) 14.141 1.310 ( 0.000 4.519 8.763) 9.860 1.483 ( 0.000 9.832 9.718) 13.824 1.622 ( -0.000 11.789 -10.038) 15.484 2.288 ( 0.000 7.266 4.430) 8.510 2.641 ( -0.000 6.092 -1.309) 6.231 5.205 ( -0.000 5.193 0.106) 5.194 6.140 ( -0.000 29.116 -0.128) 29.116 6.201 ( 0.000 -5.968 -0.260) 5.973 6.282 ( 0.000 -2.690 0.107) 2.692 8.086 ( 0.000 -15.296 1.984) 15.424 8.213 ( -0.000 -2.688 -2.595) 3.736======================= Grid point 1694 (343/344) =======================q-point: ( 0.47 0.47 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 344Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.110 ( 0.000 -0.000 10.143) 10.143 1.110 ( 0.000 -0.000 10.143) 10.143 1.315 ( -0.000 0.000 -8.261) 8.261 1.315 ( -0.000 0.000 -8.261) 8.261 2.184 ( 0.000 -0.000 17.518) 17.518 2.731 ( -0.000 0.000 -14.740) 14.740 5.106 ( 0.000 -0.000 0.295) 0.295 5.106 ( 0.000 -0.000 0.295) 0.295 6.344 ( -0.000 0.000 -0.162) 0.162 6.344 ( -0.000 0.000 -0.162) 0.162 8.270 ( 0.000 -0.000 0.605) 0.605 8.450 ( -0.000 0.000 -0.332) 0.332======================= Grid point 1695 (344/344) =======================q-point: ( 0.53 0.47 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.126 ( 0.860 0.497 14.501) 14.535 1.244 ( 6.383 3.685 -14.663) 16.412 1.363 ( 7.406 4.276 13.179) 15.710 1.364 ( 4.916 2.839 -10.794) 12.196 2.215 ( 0.681 0.393 5.296) 5.354 2.633 ( -3.492 -2.016 -4.629) 6.138 5.131 ( 2.228 1.286 0.008) 2.573 5.495 ( 29.272 16.900 -0.663) 33.807 6.303 ( -3.515 -2.029 0.039) 4.059 6.326 ( -1.495 -0.863 -0.103) 1.730 8.252 ( -1.652 -0.954 0.171) 1.916 8.345 ( -8.831 -5.098 0.014) 10.197=================== 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 3/40500 10.0 417.517 417.517 686.394 -0.000 0.000 -0.000 3/40500 20.0 105.735 105.735 107.938 -0.000 0.000 -0.000 3/40500 30.0 56.734 56.734 48.972 -0.000 0.000 -0.000 3/40500 40.0 38.341 38.341 30.544 -0.000 0.000 -0.000 3/40500 50.0 28.327 28.327 21.799 -0.000 -0.000 -0.000 3/40500 60.0 22.053 22.053 16.751 -0.000 -0.000 -0.000 3/40500 70.0 17.858 17.858 13.513 -0.000 -0.000 -0.000 3/40500 80.0 14.921 14.921 11.288 -0.000 -0.000 -0.000 3/40500 90.0 12.782 12.782 9.681 -0.000 -0.000 -0.000 3/40500 100.0 11.169 11.169 8.473 -0.000 -0.000 -0.000 3/40500 110.0 9.917 9.917 7.534 -0.000 -0.000 -0.000 3/40500 120.0 8.920 8.920 6.785 -0.000 -0.000 -0.000 3/40500 130.0 8.107 8.107 6.175 -0.000 -0.000 -0.000 3/40500 140.0 7.433 7.433 5.667 -0.000 -0.000 -0.000 3/40500 150.0 6.865 6.865 5.239 -0.000 -0.000 -0.000 3/40500 160.0 6.380 6.380 4.872 -0.000 -0.000 -0.000 3/40500 170.0 5.961 5.961 4.554 -0.000 -0.000 -0.000 3/40500 180.0 5.595 5.595 4.277 -0.000 -0.000 -0.000 3/40500 190.0 5.272 5.272 4.032 -0.000 -0.000 -0.000 3/40500 200.0 4.985 4.985 3.814 -0.000 -0.000 -0.000 3/40500 210.0 4.729 4.729 3.619 -0.000 -0.000 -0.000 3/40500 220.0 4.499 4.499 3.444 -0.000 -0.000 -0.000 3/40500 230.0 4.290 4.290 3.285 -0.000 -0.000 -0.000 3/40500 240.0 4.100 4.100 3.140 -0.000 -0.000 -0.000 3/40500 250.0 3.927 3.927 3.008 -0.000 -0.000 -0.000 3/40500 260.0 3.768 3.768 2.887 -0.000 -0.000 -0.000 3/40500 270.0 3.622 3.622 2.775 -0.000 -0.000 -0.000 3/40500 280.0 3.486 3.486 2.672 -0.000 -0.000 -0.000 3/40500 290.0 3.361 3.361 2.576 -0.000 -0.000 -0.000 3/40500 300.0 3.245 3.245 2.487 -0.000 -0.000 -0.000 3/40500 310.0 3.136 3.136 2.404 -0.000 -0.000 -0.000 3/40500 320.0 3.035 3.035 2.327 -0.000 -0.000 -0.000 3/40500 330.0 2.940 2.940 2.254 -0.000 -0.000 -0.000 3/40500 340.0 2.851 2.851 2.186 -0.000 -0.000 -0.000 3/40500 350.0 2.767 2.767 2.122 -0.000 -0.000 -0.000 3/40500 360.0 2.688 2.688 2.062 -0.000 -0.000 -0.000 3/40500 370.0 2.613 2.613 2.004 -0.000 -0.000 -0.000 3/40500 380.0 2.543 2.543 1.951 -0.000 -0.000 -0.000 3/40500 390.0 2.476 2.476 1.899 -0.000 -0.000 -0.000 3/40500 400.0 2.413 2.413 1.851 -0.000 -0.000 -0.000 3/40500 410.0 2.353 2.353 1.805 -0.000 -0.000 -0.000 3/40500 420.0 2.296 2.296 1.761 -0.000 -0.000 -0.000 3/40500 430.0 2.241 2.241 1.720 -0.000 -0.000 -0.000 3/40500 440.0 2.190 2.190 1.680 -0.000 -0.000 -0.000 3/40500 450.0 2.140 2.140 1.642 -0.000 -0.000 -0.000 3/40500 460.0 2.093 2.093 1.606 -0.000 -0.000 -0.000 3/40500 470.0 2.048 2.048 1.571 -0.000 -0.000 -0.000 3/40500 480.0 2.004 2.004 1.538 -0.000 -0.000 -0.000 3/40500 490.0 1.963 1.963 1.506 -0.000 -0.000 -0.000 3/40500 500.0 1.923 1.923 1.476 -0.000 -0.000 -0.000 3/40500 510.0 1.885 1.885 1.446 -0.000 -0.000 -0.000 3/40500 520.0 1.848 1.848 1.418 -0.000 -0.000 -0.000 3/40500 530.0 1.813 1.813 1.391 -0.000 -0.000 -0.000 3/40500 540.0 1.779 1.779 1.365 -0.000 -0.000 -0.000 3/40500 550.0 1.746 1.746 1.340 -0.000 -0.000 -0.000 3/40500 560.0 1.715 1.715 1.316 -0.000 -0.000 -0.000 3/40500 570.0 1.684 1.684 1.292 -0.000 -0.000 -0.000 3/40500 580.0 1.655 1.655 1.270 -0.000 -0.000 -0.000 3/40500 590.0 1.627 1.627 1.248 -0.000 -0.000 -0.000 3/40500 600.0 1.599 1.599 1.227 -0.000 -0.000 -0.000 3/40500 610.0 1.573 1.573 1.207 -0.000 -0.000 -0.000 3/40500 620.0 1.547 1.547 1.187 -0.000 -0.000 -0.000 3/40500 630.0 1.522 1.522 1.168 -0.000 -0.000 -0.000 3/40500 640.0 1.498 1.498 1.150 -0.000 -0.000 -0.000 3/40500 650.0 1.475 1.475 1.132 -0.000 -0.000 -0.000 3/40500 660.0 1.453 1.453 1.115 -0.000 -0.000 -0.000 3/40500 670.0 1.431 1.431 1.098 -0.000 -0.000 -0.000 3/40500 680.0 1.410 1.410 1.082 -0.000 -0.000 -0.000 3/40500 690.0 1.389 1.389 1.066 -0.000 -0.000 -0.000 3/40500 700.0 1.369 1.369 1.051 -0.000 -0.000 -0.000 3/40500 710.0 1.350 1.350 1.036 -0.000 -0.000 -0.000 3/40500 720.0 1.331 1.331 1.021 -0.000 -0.000 -0.000 3/40500 730.0 1.312 1.312 1.007 -0.000 -0.000 -0.000 3/40500 740.0 1.295 1.295 0.994 -0.000 -0.000 -0.000 3/40500 750.0 1.277 1.277 0.980 -0.000 -0.000 -0.000 3/40500 760.0 1.260 1.260 0.967 -0.000 -0.000 -0.000 3/40500 770.0 1.244 1.244 0.955 -0.000 -0.000 -0.000 3/40500 780.0 1.228 1.228 0.942 -0.000 -0.000 -0.000 3/40500 790.0 1.212 1.212 0.930 -0.000 -0.000 -0.000 3/40500 800.0 1.197 1.197 0.919 -0.000 -0.000 -0.000 3/40500 810.0 1.182 1.182 0.907 -0.000 -0.000 -0.000 3/40500 820.0 1.168 1.168 0.896 -0.000 -0.000 -0.000 3/40500 830.0 1.154 1.154 0.885 -0.000 -0.000 -0.000 3/40500 840.0 1.140 1.140 0.875 -0.000 -0.000 -0.000 3/40500 850.0 1.126 1.126 0.864 -0.000 -0.000 -0.000 3/40500 860.0 1.113 1.113 0.854 -0.000 -0.000 -0.000 3/40500 870.0 1.100 1.100 0.844 -0.000 -0.000 -0.000 3/40500 880.0 1.088 1.088 0.835 -0.000 -0.000 -0.000 3/40500 890.0 1.075 1.075 0.825 -0.000 -0.000 -0.000 3/40500 900.0 1.063 1.063 0.816 -0.000 -0.000 -0.000 3/40500 910.0 1.052 1.052 0.807 -0.000 -0.000 -0.000 3/40500 920.0 1.040 1.040 0.798 -0.000 -0.000 -0.000 3/40500 930.0 1.029 1.029 0.790 -0.000 -0.000 -0.000 3/40500 940.0 1.018 1.018 0.781 -0.000 -0.000 -0.000 3/40500 950.0 1.007 1.007 0.773 -0.000 -0.000 -0.000 3/40500 960.0 0.997 0.997 0.765 -0.000 -0.000 -0.000 3/40500 970.0 0.986 0.986 0.757 -0.000 -0.000 -0.000 3/40500 980.0 0.976 0.976 0.749 -0.000 -0.000 -0.000 3/40500 990.0 0.966 0.966 0.742 -0.000 -0.000 -0.000 3/40500 1000.0 0.957 0.957 0.734 -0.000 -0.000 -0.000 3/40500Thermal conductivity related properties were written into "kappa-m151515.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 09:42:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|